Literature DB >> 31392021

Two new glaserite-type orthovanadates: Rb2KDy(VO4)2 and Cs1.52K1.48Gd(VO4)2.

Lotfi Rghioui1, Lahcen El Ammari2, Abderrazzak Assani2, Mohamed Saadi2.   

Abstract

The crystal structures of dirubidium potassium dysprosium bis-(vanadate), Rb2KDy(VO4)2, and caesium potassium gadolinium bis-(vanadate), Cs1.52K1.48Gd(VO4)2, were solved from single-crystal X-ray diffraction data. Both compounds, synthesized by the reactive flux method, crystallize in the space group P m1 with the glaserite structure type. VO4 tetra-hedra are linked to DyO6 or GdO6 octa-hedra by common vertices to form sheets stacking along the c axis. The large twelve-coordinate Cs+ or Rb+ cations are sandwiched between these layers in tunnels along the a and b axes, while the K+ cations, surrounded by ten oxygen atoms, are localized in cavities.

Entities:  

Keywords:  Cs1.52K1.48Gd(VO4)2; IR and Raman spectroscopy; Rb2KDy(VO4)2; X-ray diffraction; crystal growth; crystal structure; orthovanadates

Year:  2019        PMID： 31392021      PMCID： PMC6659331          DOI： 10.1107/S2056989019008685

Source DB:  PubMed          Journal:  Acta Crystallogr E Crystallogr Commun


Chemical context

Many studies have been devoted to phosphates, vanadates and arsenates with the general formula (A,A′)3 Ln(XO4)2 (A,A′ = alkaline elements, Ln = rare-earth element and X = P, V, As) because of their outstanding optical properties. This type of compound has numerous possible applications, such as their use in the production of low- and high-pressure mercury lamps or colour television screens (Hong & Chinn, 1976 ▸). It has been shown that these optical properties are enhanced by the presence of either a rare-earth element or an XO4 group and are determined by the fine details of the crystal structures of those materials (Benarafa et al., 2005 ▸; Rghioui et al., 1996 ▸, 1999 ▸, 2006 ▸). For instance, Parent et al. (1980 ▸) studied the luminescence phenomenon in Na3La1–Nd(PO4)2 and Na3La1–Nd(VO4)2 and measured the life time of the excited state 4F 3/2 as a function of the Nd3+ concentration. From a detailed examination of the emission and excitation spectra, Srivastava et al. (1990 ▸) highlighted an energy transfer from Ce3+ to the Tb3+ ion in the K3La0.80Ce0.20(PO4)2, K3La0.80Tb0.20(PO4)2 and K3La1–TbxCey(PO4)2 phosphates. In addition, the band gaps and the life times of Ce3+ and Tb3+ were determined by Finke et al. (1992 ▸, 1994 ▸). The optical properties of the La atom in K3La(PO4)2; K2RbLa(PO4)2; Rb2KLa(PO4)2 and Rb3La(PO4)2 phosphates, investigated by FTIR and VUV spectroscopy, have allowed the determination of the values of band-gap energies for K3La(PO4)2 prepared by two different methods (Sasum et al., 1997 ▸). In addition, Guzik et al. (2007 ▸) concluded that the emission phenomenon occurs from the charge transfer state in Na3Lu1–Yb(PO4)2 and Na3Y1–Yb(PO4)2 compounds. More recently, the optical properties of the Eu3+ ion were widely investigated in K3Eu(XO4)2 where X = P, As and V, K2YbHo1–Eux(PO4)2, K2CsLn(VO4)2 where Ln = La and Gd (Benarafa et al., 2009 ▸; Rghioui et al., 2015 ▸; Duke John David et al., 2016 ▸; Tao et al., 2014 ▸; Farmer et al., 2014 ▸, 2016 ▸). In the case of K3Eu(XO4)2, a vibronic coupling mechanism was proposed to explain the process of europium emission observed under 647.1 nm excitation. From a crystallographic point of view, the related (A,A′)3 Ln(XO4)2 compounds with A,A′ = K, Rb and Cs adopt three structure types. The first is a monoclinic system, space group P21/m, represented by the phosphate K3Nd(PO4)2. The second one is trigonal, space group P , represented by K3Lu(PO4)2, while the third one is also trigonal but in space group P m1 and represented by the glaserite K3Na(SO4)2. The present work is a continuation of our structural investigations by X-ray diffraction of the (A,A′)3 Ln(XO4)2 system where A,A′ = K, Rb and Cs, Ln = rare earth and X = P, V, As (Rghioui et al., 1999 ▸, 2002 ▸, 2007 ▸). The present paper reports the synthesis and the crystal structure determination of the title compounds by X-ray diffraction at room temperature and vibrational spectroscopy.

Structural commentary

Dirubidium potassium dysprosium bis­(vanadate), Rb2KDy(VO4)2, and caesium potassium gadolinium bis­(vanadate), Cs1.52K1.48Gd(VO4)2, both compounds crystallize in the space group P m1 with the common glaserite, K3Na(SO4)2, structure type (Moonre, 1973 ▸; Okada & Ossaka, 1980 ▸). The formulae determined by X-ray diffraction are consistent with the results of chemical analysis. In both structures, all atoms are in special positions of the P m1 space group, namely Dy1 in Wyckoff position 1a ( m), Rb1 in 1b ( m), K1/Rb2, V1 and O2 in 2d (3m) and O1 in 6i (m). The structures of the two vanadates are built up from two independent VO4 tetra­hedra sharing an apex with DyO6 or GdO6 octa­hedra in such a way as to form a layer parallel to the ab plane, as shown in Fig. 1 ▸. Three of the six VO4 tetra­hedra surrounding each DyO6 or GdO6 octa­hedron are oriented upwards and the other three down. The concatenation of these polyhedra delimits large tunnels and cavities of site symmetry m and 3m in which are located rubidium and a statistical mixture of rubidium and potassium atoms (Fig. 2 ▸).
Figure 1

Layer of VO4 tetra­hedra linked to DyO6 octa­hedra by vertex sharing in the structure of Rb2KDy(VO4)2.

Figure 2

Three-dimensional view along the a axis of the crystal structure showing Rb+ (or Cs+) in the channels.

The coordination polyhedron of the mixed site is formed by ten oxygen atoms belonging to three edges, one face and one vertex of five VO4 tetra­hedra as shown in Fig. 3 ▸. The K/Rb—O distances range from 2.681 (8) to 3.312 (7) Å. The twelve oxygen atoms surrounding the rubidium atom form an irregular cubocta­hedron with Rb—O distances varying between 3.133 (2) and 3.4649 (3) Å. The main inter­atomic distances and angles are compatible with the values quoted in the literature (Gagné & Hawthorne, 2016 ▸; Gagné, 2018 ▸).
Figure 3

View along the c axis of a layer in the structure of the title compounds, showing the cavities in which the K/Rb+ (or K/Cs+) cations are located.

The three-dimensional structure consists of a basic tetra­hedral–octa­hedral framework, forming layers that stack along the c-axis direction, as shown in Fig. 4 ▸. In glaserite-like structures, the large cations are located between the layers in channels running along the a- and b-axis directions and the average size cations are located in the cavities (see Fig. 5 ▸).
Figure 4

Three-dimensional view of the crystal structure showing Rb+ (or Cs+) cations between the layers stacked along the c axis.

Figure 5

Three-dimensional perspective view along c axis of the crystal structure of Rb2KDy(VO4)2.

Vibrational spectroscopy

The Raman and infrared spectra for Rb2KDy(VO4)2 are shown in Figs. 6 ▸ and 7 ▸, respectively. Their band assignments given in Table 1 ▸ are based on previous works for homologous vanadates (Rghioui et al., 1999 ▸, 2012 ▸; Benarafa et al., 2009 ▸). The stretching modes of (VO4)3− anions are usually found in the region 950–700 cm−1. The peaks observed in the Raman spectrum at 935, 875 and 740 cm−1 as well as the corres­ponding bands in the infrared spectrum at 925, 830 and 755 cm−1 are all attributed to the symmetric (VO4)3− and the asymmetric (VO4)3− vibration. The bending vibrations of (VO4)3− are seen in the range 390–310 cm−1. As in previous works (Rghioui et al., 2012 ▸), the separation between the symmetric and asymmetric bending can not be identified in the vibrational spectra. The bands lying between 230 and 95 cm−1 in the spectra are assigned to the lattice vibrations. They are due to the VO4 rotation and to the VO4, K+, Rb+ and Dy3+ translation modes. A comparison of the Raman and infrared bands shows that they are not coincident. This fact confirms the centrosymmetric structure of Rb2KDy(VO4)2 vanadate.
Figure 6

Raman spectrum of Rb2KDy(VO4)2.

Figure 7

Infrared spectrum of Rb2KDy(VO4)2.

Table 1

Raman and Infrared band assignments (cm−1) for Rb2KDy(VO4)2

RamanInfraredAttribution
935925Stretching vibrations of VO4 groups
875830
740755
   
385377Deformation modes of VO4 groups
370365
340311
   
200230External modes
160177
125130
95120

Synthesis and crystallization

Single crystals of Rb2KDy(VO4)2 and Cs1.52K1.48Gd(VO4)2 were synthesized by the flux method using a mixture of K2CO3, Rb2CO3 (or Cs2CO3 for the Gd compound), Dy2O3 (or Gd2O3) and V2O5 corresponding to 1 mol of K2RbDy(VO4)2 (or Cs1.52K1.48Gd(VO4)2 and 1 mol of Rb3VO4 (or Cs3VO4). The reagents were ground in an agate mortar and placed in a platinum crucible. The temperature was raised slowly to 873 K and maintained for 24 h, permitting the carbonates to decompose. A second treatment at the melting temperature of 1273 K was performed, followed by slow cooling at a rate of 4 K h−1 to 673 K and then quickly to ambient temperature. Each thermal treatment was inter­spersed with grinding. The obtained product was then washed with distilled water in order to eliminate the flux. The resulting product contained single crystals of a suitable size for the X-ray diffraction study.

Refinement

Crystal data, data collection and structure refinement details are summarized in Table 2 ▸. In the refinement procedure, the substitutional occupation of the mixed sites was freely refined and restricted to the occupancy of one site for Cs1.52K1.48Gd(VO4)2 but restricted to 0.5:0.5 for Rb2KDy(VO4)2.
Table 2

Experimental details

 Rb2KDy(VO4)2 Cs1.52K1.48Gd(VO4)2
Crystal data
M r 602.42646.74
Crystal system, space groupTrigonal, P m1Trigonal, P m1
Temperature (K)296296
a, c (Å)5.9728 (1), 7.7780 (1)6.0321 (1), 7.9821 (2)
V (Å3)240.30 (1)251.53 (1)
Z 11
Radiation typeMo KαMo Kα
μ (mm−1)20.1014.37
Crystal size (mm)0.35 × 0.28 × 0.250.34 × 0.26 × 0.22
 
Data collection
DiffractometerBruker X8 APEX Bruker X8 APEX
Absorption correctionMulti-scan (SADABS; Krause et al., 2015 ▸)Multi-scan (SADABS; Krause et al., 2015 ▸)
T min, T max 0.357, 0.7490.639, 0.747
No. of measured, independent and observed [I > 2σ(I)] reflections10549, 647, 63114472, 678, 666
R int 0.0490.038
(sin θ/λ)max (Å−1)0.9260.925
 
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S 0.016, 0.042, 1.110.010, 0.028, 1.09
No. of reflections647678
No. of parameters2425
Δρmax, Δρmin (e Å−3)1.35, −1.350.63, −0.94

Computer programs: APEX2 and SAINT-Plus (Bruker, 2009 ▸), SHELXT2014 (Sheldrick, 2015a ▸), SHELXL2018 (Sheldrick, 2015b ▸), ORTEP-3 for Windows (Farrugia, 2012 ▸), DIAMOND (Brandenburg, 2006 ▸), Mercury (Macrae et al., 2008 ▸) and publCIF (Westrip, 2010 ▸).

Crystal structure: contains datablock(s) I, II, global. DOI: 10.1107/S2056989019008685/vn2149sup1.cif Structure factors: contains datablock(s) I. DOI: 10.1107/S2056989019008685/vn2149Isup2.hkl Structure factors: contains datablock(s) II. DOI: 10.1107/S2056989019008685/vn2149IIsup3.hkl CCDC references: 1934723, 1934722 Additional supporting information: crystallographic information; 3D view; checkCIF report
Rb2KDy(VO4)2Dx = 4.163 Mg m−3
Mr = 602.42Mo Kα radiation, λ = 0.71073 Å
Trigonal, P3m1Cell parameters from 647 reflections
a = 5.9728 (1) Åθ = 2.6–41.1°
c = 7.7780 (1) ŵ = 20.10 mm−1
V = 240.30 (1) Å3T = 296 K
Z = 1Block, colourless
F(000) = 2690.35 × 0.28 × 0.25 mm
Bruker X8 APEX diffractometer647 independent reflections
Radiation source: fine-focus sealed tube631 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.049
φ and ω scansθmax = 41.1°, θmin = 2.6°
Absorption correction: multi-scan (SADABS; Krause et al., 2015)h = −11→11
Tmin = 0.357, Tmax = 0.749k = −11→10
10549 measured reflectionsl = −14→14
Refinement on F20 restraints
Least-squares matrix: fullw = 1/[σ2(Fo2) + (0.0239P)2 + 0.1252P] where P = (Fo2 + 2Fc2)/3
R[F2 > 2σ(F2)] = 0.016(Δ/σ)max < 0.001
wR(F2) = 0.042Δρmax = 1.35 e Å−3
S = 1.11Δρmin = −1.35 e Å−3
647 reflectionsExtinction correction: SHELXL2018 (Sheldrick, 2015b), Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4
24 parametersExtinction coefficient: 0.0124 (15)
Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes.
xyzUiso*/UeqOcc. (<1)
Rb10.0000000.0000000.5000000.03556 (16)
Dy10.0000000.0000000.0000000.00791 (6)
K10.3333330.6666670.8013 (9)0.0098 (8)0.5
Rb20.3333330.6666670.7969 (5)0.0191 (6)0.5
V10.3333330.6666670.24618 (6)0.00765 (8)
O10.17571 (17)0.82429 (17)0.1720 (3)0.0273 (4)
O20.3333330.6666670.4567 (4)0.0389 (10)
U11U22U33U12U13U23
Rb10.0463 (3)0.0463 (3)0.0141 (2)0.02314 (13)0.0000.000
Dy10.00565 (6)0.00565 (6)0.01243 (8)0.00282 (3)0.0000.000
K10.0082 (10)0.0082 (10)0.0128 (18)0.0041 (5)0.0000.000
Rb20.0194 (7)0.0194 (7)0.0185 (12)0.0097 (4)0.0000.000
V10.00766 (10)0.00766 (10)0.00763 (16)0.00383 (5)0.0000.000
O10.0219 (5)0.0219 (5)0.0424 (10)0.0141 (6)−0.0081 (3)0.0081 (3)
O20.0542 (15)0.0542 (15)0.0084 (10)0.0271 (8)0.0000.000
Rb1—O1i3.133 (2)K1—O1xvii2.9951 (5)
Rb1—O1ii3.133 (2)K1—O1xviii2.9951 (6)
Rb1—O1iii3.133 (2)K1—O1iii2.9951 (6)
Rb1—O1iv3.133 (2)K1—O1xix2.9951 (5)
Rb1—O1v3.133 (2)K1—O1i2.9951 (5)
Rb1—O1vi3.133 (2)K1—O1xx3.312 (7)
Rb1—O2vii3.4648 (3)K1—O1xxi3.312 (7)
Rb1—O2viii3.4648 (3)K1—O1xxii3.312 (7)
Rb1—O2ix3.4648 (3)K1—V1xx3.460 (7)
Rb1—O23.4648 (3)K1—V1vii3.4681 (8)
Rb1—O2iii3.4649 (3)Rb2—O22.647 (5)
Rb1—O2iv3.4649 (3)Rb2—O1xvi2.9976 (4)
Dy1—O1x2.2569 (17)Rb2—O1xvii2.9976 (4)
Dy1—O1vi2.2569 (17)Rb2—O1xviii2.9976 (4)
Dy1—O1xi2.2569 (17)Rb2—O1iii2.9976 (4)
Dy1—O1iv2.2569 (17)Rb2—O1xix2.9976 (4)
Dy1—O1xii2.2569 (17)Rb2—O1i2.9976 (4)
Dy1—O1ii2.2569 (17)Rb2—O1xx3.342 (4)
Dy1—K1xiii3.779 (3)Rb2—O1xxi3.342 (4)
Dy1—K1vii3.779 (3)Rb2—O1xxii3.342 (4)
Dy1—K1xiv3.779 (3)Rb2—V1vii3.4646 (4)
Dy1—K1ix3.779 (3)Rb2—V1iii3.4647 (4)
Dy1—K1xv3.779 (3)V1—O21.637 (3)
Dy1—K1iii3.779 (3)V1—O11.7297 (16)
K1—O22.681 (8)V1—O1vi1.7297 (16)
K1—O1xvi2.9951 (5)V1—O1xxiii1.7297 (16)
O1i—Rb1—O1ii180.0O1xviii—K1—V1xx86.02 (15)
O1i—Rb1—O1iii60.33 (5)O1iii—K1—V1xx86.02 (15)
O1ii—Rb1—O1iii119.67 (5)O1xix—K1—V1xx86.02 (15)
O1i—Rb1—O1iv119.67 (5)O1i—K1—V1xx86.02 (15)
O1ii—Rb1—O1iv60.33 (5)O1xx—K1—V1xx29.49 (7)
O1iii—Rb1—O1iv180.0O1xxi—K1—V1xx29.49 (7)
O1i—Rb1—O1v60.33 (5)O1xxii—K1—V1xx29.49 (7)
O1ii—Rb1—O1v119.67 (5)O2—K1—V1vii83.89 (12)
O1iii—Rb1—O1v60.33 (5)O1xvi—K1—V1vii148.26 (4)
O1iv—Rb1—O1v119.67 (5)O1xvii—K1—V1vii148.26 (4)
O1i—Rb1—O1vi119.67 (5)O1xviii—K1—V1vii92.20 (4)
O1ii—Rb1—O1vi60.33 (5)O1iii—K1—V1vii92.20 (4)
O1iii—Rb1—O1vi119.67 (5)O1xix—K1—V1vii29.92 (3)
O1iv—Rb1—O1vi60.33 (5)O1i—K1—V1vii29.92 (3)
O1v—Rb1—O1vi180.0O1xx—K1—V1vii125.60 (19)
O1i—Rb1—O2vii48.95 (6)O1xxi—K1—V1vii81.25 (8)
O1ii—Rb1—O2vii131.05 (6)O1xxii—K1—V1vii81.25 (8)
O1iii—Rb1—O2vii102.09 (5)V1xx—K1—V1vii96.11 (12)
O1iv—Rb1—O2vii77.91 (5)O2—Rb2—O1xvi94.63 (9)
O1v—Rb1—O2vii102.09 (5)O2—Rb2—O1xvii94.63 (9)
O1vi—Rb1—O2vii77.91 (5)O1xvi—Rb2—O1xvii63.36 (7)
O1i—Rb1—O2viii131.05 (6)O2—Rb2—O1xviii94.63 (9)
O1ii—Rb1—O2viii48.95 (6)O1xvi—Rb2—O1xviii56.21 (7)
O1iii—Rb1—O2viii77.91 (5)O1xvii—Rb2—O1xviii119.36 (3)
O1iv—Rb1—O2viii102.09 (5)O2—Rb2—O1iii94.63 (9)
O1v—Rb1—O2viii77.91 (5)O1xvi—Rb2—O1iii119.36 (3)
O1vi—Rb1—O2viii102.09 (5)O1xvii—Rb2—O1iii56.21 (7)
O2vii—Rb1—O2viii180.00 (11)O1xviii—Rb2—O1iii170.08 (18)
O1i—Rb1—O2ix102.09 (5)O2—Rb2—O1xix94.63 (9)
O1ii—Rb1—O2ix77.91 (5)O1xvi—Rb2—O1xix119.36 (3)
O1iii—Rb1—O2ix102.09 (5)O1xvii—Rb2—O1xix170.08 (18)
O1iv—Rb1—O2ix77.91 (5)O1xviii—Rb2—O1xix63.36 (7)
O1v—Rb1—O2ix48.95 (6)O1iii—Rb2—O1xix119.36 (3)
O1vi—Rb1—O2ix131.05 (6)O2—Rb2—O1i94.63 (9)
O2vii—Rb1—O2ix119.065 (18)O1xvi—Rb2—O1i170.08 (18)
O2viii—Rb1—O2ix60.935 (18)O1xvii—Rb2—O1i119.36 (3)
O1i—Rb1—O277.91 (5)O1xviii—Rb2—O1i119.36 (3)
O1ii—Rb1—O2102.09 (5)O1iii—Rb2—O1i63.36 (7)
O1iii—Rb1—O277.91 (5)O1xix—Rb2—O1i56.21 (7)
O1iv—Rb1—O2102.09 (5)O2—Rb2—O1xx150.80 (5)
O1v—Rb1—O2131.05 (6)O1xvi—Rb2—O1xx61.07 (8)
O1vi—Rb1—O248.95 (6)O1xvii—Rb2—O1xx61.07 (8)
O2vii—Rb1—O260.935 (18)O1xviii—Rb2—O1xx85.09 (8)
O2viii—Rb1—O2119.065 (18)O1iii—Rb2—O1xx85.09 (8)
O2ix—Rb1—O2180.0O1xix—Rb2—O1xx110.99 (11)
O1i—Rb1—O2iii102.09 (5)O1i—Rb2—O1xx110.99 (11)
O1ii—Rb1—O2iii77.91 (5)O2—Rb2—O1xxi150.80 (5)
O1iii—Rb1—O2iii48.95 (6)O1xvi—Rb2—O1xxi85.09 (8)
O1iv—Rb1—O2iii131.05 (6)O1xvii—Rb2—O1xxi110.99 (11)
O1v—Rb1—O2iii102.09 (5)O1xviii—Rb2—O1xxi61.07 (8)
O1vi—Rb1—O2iii77.91 (5)O1iii—Rb2—O1xxi110.99 (11)
O2vii—Rb1—O2iii119.064 (18)O1xix—Rb2—O1xxi61.07 (8)
O2viii—Rb1—O2iii60.936 (18)O1i—Rb2—O1xxi85.09 (8)
O2ix—Rb1—O2iii119.064 (18)O1xx—Rb2—O1xxi49.99 (8)
O2—Rb1—O2iii60.935 (18)O2—Rb2—O1xxii150.80 (5)
O1i—Rb1—O2iv77.91 (5)O1xvi—Rb2—O1xxii110.99 (11)
O1ii—Rb1—O2iv102.09 (5)O1xvii—Rb2—O1xxii85.09 (8)
O1iii—Rb1—O2iv131.05 (6)O1xviii—Rb2—O1xxii110.99 (11)
O1iv—Rb1—O2iv48.95 (6)O1iii—Rb2—O1xxii61.07 (8)
O1v—Rb1—O2iv77.91 (5)O1xix—Rb2—O1xxii85.09 (8)
O1vi—Rb1—O2iv102.09 (5)O1i—Rb2—O1xxii61.07 (8)
O2vii—Rb1—O2iv60.936 (18)O1xx—Rb2—O1xxii49.99 (8)
O2viii—Rb1—O2iv119.064 (18)O1xxi—Rb2—O1xxii49.99 (8)
O2ix—Rb1—O2iv60.936 (18)O2—Rb2—V1vii84.45 (7)
O2—Rb1—O2iv119.065 (18)O1xvi—Rb2—V1vii148.32 (3)
O2iii—Rb1—O2iv180.0O1xvii—Rb2—V1vii148.32 (3)
O1x—Dy1—O1vi180.00 (12)O1xviii—Rb2—V1vii92.23 (3)
O1x—Dy1—O1xi88.46 (9)O1iii—Rb2—V1vii92.23 (3)
O1vi—Dy1—O1xi91.54 (9)O1xix—Rb2—V1vii29.95 (3)
O1x—Dy1—O1iv91.54 (9)O1i—Rb2—V1vii29.95 (3)
O1vi—Dy1—O1iv88.46 (9)O1xx—Rb2—V1vii124.76 (11)
O1xi—Dy1—O1iv180.00 (9)O1xxi—Rb2—V1vii80.89 (5)
O1x—Dy1—O1xii88.46 (9)O1xxii—Rb2—V1vii80.89 (5)
O1vi—Dy1—O1xii91.54 (9)O2—Rb2—V1iii84.45 (7)
O1xi—Dy1—O1xii88.46 (9)O1xvi—Rb2—V1iii92.23 (3)
O1iv—Dy1—O1xii91.54 (9)O1xvii—Rb2—V1iii29.95 (3)
O1x—Dy1—O1ii91.54 (9)O1xviii—Rb2—V1iii148.32 (3)
O1vi—Dy1—O1ii88.46 (9)O1iii—Rb2—V1iii29.95 (3)
O1xi—Dy1—O1ii91.54 (9)O1xix—Rb2—V1iii148.32 (3)
O1iv—Dy1—O1ii88.46 (9)O1i—Rb2—V1iii92.23 (3)
O1xii—Dy1—O1ii180.00 (10)O1xx—Rb2—V1iii80.89 (5)
O1x—Dy1—K1xiii52.42 (5)O1xxi—Rb2—V1iii124.76 (11)
O1vi—Dy1—K1xiii127.58 (5)O1xxii—Rb2—V1iii80.89 (5)
O1xi—Dy1—K1xiii52.42 (5)V1vii—Rb2—V1iii119.07 (2)
O1iv—Dy1—K1xiii127.58 (5)O2—V1—O1109.49 (8)
O1xii—Dy1—K1xiii119.51 (12)O2—V1—O1vi109.49 (8)
O1ii—Dy1—K1xiii60.49 (12)O1—V1—O1vi109.45 (8)
O1x—Dy1—K1vii127.58 (5)O2—V1—O1xxiii109.49 (8)
O1vi—Dy1—K1vii52.42 (5)O1—V1—O1xxiii109.45 (8)
O1xi—Dy1—K1vii127.58 (5)O1vi—V1—O1xxiii109.45 (8)
O1iv—Dy1—K1vii52.42 (5)O2—V1—K1xiv180.0
O1xii—Dy1—K1vii60.49 (12)O1—V1—K1xiv70.51 (8)
O1ii—Dy1—K1vii119.51 (12)O1vi—V1—K1xiv70.51 (8)
K1xiii—Dy1—K1vii180.0O1xxiii—V1—K1xiv70.51 (8)
O1x—Dy1—K1xiv119.51 (12)O2—V1—K1vii96.11 (12)
O1vi—Dy1—K1xiv60.49 (12)O1—V1—K1vii154.40 (15)
O1xi—Dy1—K1xiv52.42 (5)O1vi—V1—K1vii59.72 (4)
O1iv—Dy1—K1xiv127.58 (5)O1xxiii—V1—K1vii59.72 (4)
O1xii—Dy1—K1xiv52.42 (5)K1xiv—V1—K1vii83.89 (12)
O1ii—Dy1—K1xiv127.58 (5)O2—V1—K1iii96.11 (12)
K1xiii—Dy1—K1xiv104.42 (12)O1—V1—K1iii59.72 (4)
K1vii—Dy1—K1xiv75.58 (12)O1vi—V1—K1iii59.72 (4)
O1x—Dy1—K1ix60.49 (12)O1xxiii—V1—K1iii154.40 (15)
O1vi—Dy1—K1ix119.51 (12)K1xiv—V1—K1iii83.89 (12)
O1xi—Dy1—K1ix127.58 (5)K1vii—V1—K1iii118.88 (4)
O1iv—Dy1—K1ix52.42 (5)O2—V1—K1xviii96.11 (12)
O1xii—Dy1—K1ix127.58 (5)O1—V1—K1xviii59.72 (4)
O1ii—Dy1—K1ix52.42 (5)O1vi—V1—K1xviii154.40 (15)
K1xiii—Dy1—K1ix75.58 (12)O1xxiii—V1—K1xviii59.72 (4)
K1vii—Dy1—K1ix104.42 (12)K1xiv—V1—K1xviii83.89 (12)
K1xiv—Dy1—K1ix180.0K1vii—V1—K1xviii118.88 (5)
O1x—Dy1—K1xv52.42 (5)K1iii—V1—K1xviii118.88 (4)
O1vi—Dy1—K1xv127.58 (5)O2—V1—Rb1xxiv60.209 (6)
O1xi—Dy1—K1xv119.51 (12)O1—V1—Rb1xxiv49.28 (8)
O1iv—Dy1—K1xv60.49 (12)O1vi—V1—Rb1xxiv125.09 (3)
O1xii—Dy1—K1xv52.42 (5)O1xxiii—V1—Rb1xxiv125.09 (3)
O1ii—Dy1—K1xv127.58 (5)K1xiv—V1—Rb1xxiv119.792 (6)
K1xiii—Dy1—K1xv104.42 (12)K1vii—V1—Rb1xxiv156.32 (12)
K1vii—Dy1—K1xv75.58 (12)K1iii—V1—Rb1xxiv67.75 (7)
K1xiv—Dy1—K1xv104.42 (12)K1xviii—V1—Rb1xxiv67.75 (7)
K1ix—Dy1—K1xv75.58 (12)O2—V1—Rb1xxv60.209 (6)
O1x—Dy1—K1iii127.58 (5)O1—V1—Rb1xxv125.09 (3)
O1vi—Dy1—K1iii52.42 (5)O1vi—V1—Rb1xxv125.09 (3)
O1xi—Dy1—K1iii60.49 (12)O1xxiii—V1—Rb1xxv49.28 (8)
O1iv—Dy1—K1iii119.51 (12)K1xiv—V1—Rb1xxv119.791 (6)
O1xii—Dy1—K1iii127.58 (5)K1vii—V1—Rb1xxv67.76 (7)
O1ii—Dy1—K1iii52.42 (5)K1iii—V1—Rb1xxv156.32 (12)
K1xiii—Dy1—K1iii75.58 (12)K1xviii—V1—Rb1xxv67.76 (7)
K1vii—Dy1—K1iii104.42 (12)Rb1xxiv—V1—Rb1xxv97.454 (8)
K1xiv—Dy1—K1iii75.58 (12)O2—V1—Rb160.209 (6)
K1ix—Dy1—K1iii104.42 (12)O1—V1—Rb1125.09 (3)
K1xv—Dy1—K1iii180.0O1vi—V1—Rb149.28 (8)
O2—K1—O1xvi93.98 (15)O1xxiii—V1—Rb1125.09 (3)
O2—K1—O1xvii93.98 (15)K1xiv—V1—Rb1119.791 (6)
O1xvi—K1—O1xvii63.42 (7)K1vii—V1—Rb167.76 (7)
O2—K1—O1xviii93.98 (15)K1iii—V1—Rb167.76 (7)
O1xvi—K1—O1xviii56.26 (7)K1xviii—V1—Rb1156.32 (12)
O1xvii—K1—O1xviii119.52 (4)Rb1xxiv—V1—Rb197.454 (8)
O2—K1—O1iii93.98 (15)Rb1xxv—V1—Rb197.454 (8)
O1xvi—K1—O1iii119.52 (4)O2—V1—Rb20.000 (1)
O1xvii—K1—O1iii56.26 (7)O1—V1—Rb2109.49 (8)
O1xviii—K1—O1iii171.3 (3)O1vi—V1—Rb2109.49 (8)
O2—K1—O1xix93.98 (15)O1xxiii—V1—Rb2109.49 (8)
O1xvi—K1—O1xix119.52 (4)K1xiv—V1—Rb2180.0
O1xvii—K1—O1xix171.3 (3)K1vii—V1—Rb296.11 (12)
O1xviii—K1—O1xix63.42 (7)K1iii—V1—Rb296.11 (12)
O1iii—K1—O1xix119.52 (4)K1xviii—V1—Rb296.11 (12)
O2—K1—O1i93.98 (15)Rb1xxiv—V1—Rb260.209 (6)
O1xvi—K1—O1i171.3 (3)Rb1xxv—V1—Rb260.209 (6)
O1xvii—K1—O1i119.52 (4)Rb1—V1—Rb260.209 (6)
O1xviii—K1—O1i119.52 (4)V1—O1—Dy1xxiv163.14 (14)
O1iii—K1—O1i63.42 (7)V1—O1—K1xviii90.36 (6)
O1xix—K1—O1i56.26 (7)Dy1xxiv—O1—K1xviii90.91 (9)
O2—K1—O1xx150.51 (7)V1—O1—K1iii90.36 (6)
O1xvi—K1—O1xx61.46 (10)Dy1xxiv—O1—K1iii90.91 (9)
O1xvii—K1—O1xx61.46 (10)K1xviii—O1—K1iii171.3 (3)
O1xviii—K1—O1xx85.65 (13)V1—O1—Rb1xxiv105.98 (10)
O1iii—K1—O1xx85.65 (13)Dy1xxiv—O1—Rb1xxiv90.88 (6)
O1xix—K1—O1xx111.86 (19)K1xviii—O1—Rb1xxiv85.72 (12)
O1i—K1—O1xx111.86 (19)K1iii—O1—Rb1xxiv85.72 (12)
O2—K1—O1xxi150.51 (7)V1—O1—K1xiv80.00 (10)
O1xvi—K1—O1xxi85.65 (13)Dy1xxiv—O1—K1xiv83.14 (9)
O1xvii—K1—O1xxi111.86 (19)K1xviii—O1—K1xiv94.35 (13)
O1xviii—K1—O1xxi61.46 (10)K1iii—O1—K1xiv94.35 (13)
O1iii—K1—O1xxi111.86 (19)Rb1xxiv—O1—K1xiv174.02 (9)
O1xix—K1—O1xxi61.46 (10)V1—O2—Rb2180.0
O1i—K1—O1xxi85.65 (13)V1—O2—K1180.0
O1xx—K1—O1xxi50.47 (12)Rb2—O2—K10.000 (1)
O2—K1—O1xxii150.51 (7)V1—O2—Rb1xxiv95.58 (5)
O1xvi—K1—O1xxii111.86 (19)Rb2—O2—Rb1xxiv84.42 (5)
O1xvii—K1—O1xxii85.65 (13)K1—O2—Rb1xxiv84.42 (5)
O1xviii—K1—O1xxii111.86 (19)V1—O2—Rb1xxv95.58 (5)
O1iii—K1—O1xxii61.46 (10)Rb2—O2—Rb1xxv84.42 (5)
O1xix—K1—O1xxii85.65 (13)K1—O2—Rb1xxv84.42 (5)
O1i—K1—O1xxii61.46 (10)Rb1xxiv—O2—Rb1xxv119.065 (18)
O1xx—K1—O1xxii50.47 (12)V1—O2—Rb195.58 (5)
O1xxi—K1—O1xxii50.47 (12)Rb2—O2—Rb184.42 (5)
O2—K1—V1xx180.0K1—O2—Rb184.42 (5)
O1xvi—K1—V1xx86.02 (15)Rb1xxiv—O2—Rb1119.065 (18)
O1xvii—K1—V1xx86.02 (15)Rb1xxv—O2—Rb1119.065 (18)
Cs1.52K1.48Gd(VO4)2Dx = 4.270 Mg m−3
Mr = 646.74Mo Kα radiation, λ = 0.71073 Å
Trigonal, P3m1Cell parameters from 678 reflections
a = 6.0321 (1) Åθ = 3.9–41.1°
c = 7.9821 (2) ŵ = 14.37 mm−1
V = 251.53 (1) Å3T = 296 K
Z = 1Block, colourless
F(000) = 2860.34 × 0.26 × 0.22 mm
Bruker X8 APEX diffractometer678 independent reflections
Radiation source: fine-focus sealed tube666 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.038
φ and ω scansθmax = 41.1°, θmin = 3.9°
Absorption correction: multi-scan (SADABS; Krause et al., 2015)h = −11→11
Tmin = 0.639, Tmax = 0.747k = −9→11
14472 measured reflectionsl = −14→14
Refinement on F20 restraints
Least-squares matrix: fullw = 1/[σ2(Fo2) + (0.014P)2 + 0.0871P] where P = (Fo2 + 2Fc2)/3
R[F2 > 2σ(F2)] = 0.010(Δ/σ)max < 0.001
wR(F2) = 0.028Δρmax = 0.63 e Å−3
S = 1.09Δρmin = −0.94 e Å−3
678 reflectionsExtinction correction: SHELXL2018 (Sheldrick, 2015b), Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4
25 parametersExtinction coefficient: 0.0022 (6)
Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes.
xyzUiso*/UeqOcc. (<1)
Cs10.0000000.0000000.5000000.02453 (5)
Gd10.0000000.0000000.0000000.00899 (4)
K10.3333330.6666670.7877 (3)0.0113 (5)0.7404 (18)
Cs20.3333330.6666670.7867 (4)0.0230 (8)0.2597 (18)
V10.3333330.6666670.23977 (4)0.00899 (5)
O10.17704 (10)0.82296 (10)0.16910 (16)0.0265 (2)
O20.3333330.6666670.4470 (3)0.0317 (5)
U11U22U33U12U13U23
Cs10.02979 (7)0.02979 (7)0.01402 (8)0.01489 (3)0.0000.000
Gd10.00627 (4)0.00627 (4)0.01444 (6)0.00313 (2)0.0000.000
K10.0091 (6)0.0091 (6)0.0156 (9)0.0046 (3)0.0000.000
Cs20.0200 (9)0.0200 (9)0.0288 (14)0.0100 (5)0.0000.000
V10.00756 (7)0.00756 (7)0.01186 (11)0.00378 (3)0.0000.000
O10.0244 (4)0.0244 (4)0.0379 (6)0.0177 (4)−0.00613 (19)0.00613 (19)
O20.0404 (7)0.0404 (7)0.0144 (7)0.0202 (4)0.0000.000
Cs1—O1i3.2245 (13)K1—O1xvii3.0377 (4)
Cs1—O1ii3.2245 (13)K1—O1xviii3.0377 (4)
Cs1—O1iii3.2245 (13)K1—O1iii3.0377 (4)
Cs1—O1iv3.2245 (13)K1—O1xix3.0377 (4)
Cs1—O1v3.2245 (13)K1—O1i3.0377 (4)
Cs1—O1vi3.2245 (13)K1—V1vii3.4895 (2)
Cs1—O2vii3.5082 (3)K1—V1iii3.4895 (2)
Cs1—O2viii3.5082 (3)K1—V1xviii3.4895 (2)
Cs1—O2ix3.5082 (3)K1—V1xx3.609 (3)
Cs1—O23.5083 (3)Cs2—O22.712 (4)
Cs1—O2iii3.5083 (3)Cs2—O1xvi3.0386 (4)
Cs1—O2iv3.5083 (2)Cs2—O1xvii3.0386 (4)
Gd1—O1x2.2898 (10)Cs2—O1xviii3.0386 (4)
Gd1—O1vi2.2898 (10)Cs2—O1iii3.0386 (4)
Gd1—O1xi2.2898 (10)Cs2—O1xix3.0386 (4)
Gd1—O1iv2.2898 (10)Cs2—O1i3.0386 (4)
Gd1—O1xii2.2898 (10)Cs2—O1xx3.462 (3)
Gd1—O1ii2.2898 (10)Cs2—O1xxi3.462 (3)
Gd1—K1xiii3.8732 (12)Cs2—O1xxii3.462 (3)
Gd1—K1vii3.8732 (12)Cs2—V1vii3.4890 (2)
Gd1—K1xiv3.8731 (12)Cs2—V1iii3.4890 (2)
Gd1—K1ix3.8731 (12)V1—O21.654 (2)
Gd1—K1xv3.8732 (12)V1—O11.7276 (10)
Gd1—K1iii3.8732 (12)V1—O1vi1.7276 (10)
K1—O22.719 (3)V1—O1xxiii1.7276 (10)
K1—O1xvi3.0377 (4)
O1i—Cs1—O1ii180.0O1xvi—K1—V1xx83.48 (6)
O1i—Cs1—O1iii59.57 (3)O1xvii—K1—V1xx83.48 (6)
O1ii—Cs1—O1iii120.43 (3)O1xviii—K1—V1xx83.48 (6)
O1i—Cs1—O1iv120.43 (3)O1iii—K1—V1xx83.48 (6)
O1ii—Cs1—O1iv59.57 (3)O1xix—K1—V1xx83.48 (6)
O1iii—Cs1—O1iv180.0O1i—K1—V1xx83.48 (6)
O1i—Cs1—O1v59.57 (3)V1vii—K1—V1xx93.60 (4)
O1ii—Cs1—O1v120.43 (3)V1iii—K1—V1xx93.60 (4)
O1iii—Cs1—O1v59.57 (3)V1xviii—K1—V1xx93.60 (4)
O1iv—Cs1—O1v120.43 (3)O2—K1—Gd1xxiv115.95 (4)
O1i—Cs1—O1vi120.43 (3)O1xvi—K1—Gd1xxiv36.21 (2)
O1ii—Cs1—O1vi59.57 (3)O1xvii—K1—Gd1xxiv36.21 (2)
O1iii—Cs1—O1vi120.43 (3)O1xviii—K1—Gd1xxiv85.31 (3)
O1iv—Cs1—O1vi59.57 (3)O1iii—K1—Gd1xxiv85.31 (3)
O1v—Cs1—O1vi180.0O1xix—K1—Gd1xxiv137.69 (7)
O1i—Cs1—O2vii48.07 (4)O1i—K1—Gd1xxiv137.69 (7)
O1ii—Cs1—O2vii131.93 (4)V1vii—K1—Gd1xxiv157.65 (8)
O1iii—Cs1—O2vii100.71 (3)V1iii—K1—Gd1xxiv65.087 (12)
O1iv—Cs1—O2vii79.29 (3)V1xviii—K1—Gd1xxiv65.087 (12)
O1v—Cs1—O2vii100.71 (3)V1xx—K1—Gd1xxiv64.05 (4)
O1vi—Cs1—O2vii79.29 (3)O2—Cs2—O1xvi96.67 (7)
O1i—Cs1—O2viii131.93 (4)O2—Cs2—O1xvii96.67 (7)
O1ii—Cs1—O2viii48.07 (4)O1xvi—Cs2—O1xvii63.63 (4)
O1iii—Cs1—O2viii79.29 (3)O2—Cs2—O1xviii96.67 (7)
O1iv—Cs1—O2viii100.71 (3)O1xvi—Cs2—O1xviii55.47 (4)
O1v—Cs1—O2viii79.29 (3)O1xvii—Cs2—O1xviii118.67 (3)
O1vi—Cs1—O2viii100.71 (3)O2—Cs2—O1iii96.67 (7)
O2vii—Cs1—O2viii180.0O1xvi—Cs2—O1iii118.67 (3)
O1i—Cs1—O2ix100.71 (3)O1xvii—Cs2—O1iii55.47 (4)
O1ii—Cs1—O2ix79.29 (3)O1xviii—Cs2—O1iii166.04 (13)
O1iii—Cs1—O2ix100.71 (3)O2—Cs2—O1xix96.67 (7)
O1iv—Cs1—O2ix79.29 (3)O1xvi—Cs2—O1xix118.67 (3)
O1v—Cs1—O2ix48.07 (4)O1xvii—Cs2—O1xix166.04 (13)
O1vi—Cs1—O2ix131.93 (4)O1xviii—Cs2—O1xix63.63 (4)
O2vii—Cs1—O2ix118.567 (13)O1iii—Cs2—O1xix118.67 (3)
O2viii—Cs1—O2ix61.433 (14)O2—Cs2—O1i96.67 (7)
O1i—Cs1—O279.29 (3)O1xvi—Cs2—O1i166.04 (13)
O1ii—Cs1—O2100.71 (3)O1xvii—Cs2—O1i118.67 (3)
O1iii—Cs1—O279.29 (3)O1xviii—Cs2—O1i118.67 (3)
O1iv—Cs1—O2100.71 (3)O1iii—Cs2—O1i63.63 (4)
O1v—Cs1—O2131.93 (4)O1xix—Cs2—O1i55.47 (4)
O1vi—Cs1—O248.07 (4)O2—Cs2—O1xx151.86 (3)
O2vii—Cs1—O261.434 (13)O1xvi—Cs2—O1xx60.03 (5)
O2viii—Cs1—O2118.566 (13)O1xvii—Cs2—O1xx60.03 (5)
O2ix—Cs1—O2180.0O1xviii—Cs2—O1xx83.15 (6)
O1i—Cs1—O2iii100.71 (3)O1iii—Cs2—O1xx83.15 (6)
O1ii—Cs1—O2iii79.29 (3)O1xix—Cs2—O1xx108.15 (8)
O1iii—Cs1—O2iii48.07 (4)O1i—Cs2—O1xx108.15 (8)
O1iv—Cs1—O2iii131.93 (4)O2—Cs2—O1xxi151.86 (3)
O1v—Cs1—O2iii100.71 (3)O1xvi—Cs2—O1xxi83.15 (6)
O1vi—Cs1—O2iii79.29 (3)O1xvii—Cs2—O1xxi108.15 (8)
O2vii—Cs1—O2iii118.565 (14)O1xviii—Cs2—O1xxi60.03 (5)
O2viii—Cs1—O2iii61.435 (13)O1iii—Cs2—O1xxi108.15 (8)
O2ix—Cs1—O2iii118.565 (14)O1xix—Cs2—O1xxi60.03 (5)
O2—Cs1—O2iii61.434 (13)O1i—Cs2—O1xxi83.15 (6)
O1i—Cs1—O2iv79.29 (3)O1xx—Cs2—O1xxi48.22 (5)
O1ii—Cs1—O2iv100.71 (3)O2—Cs2—O1xxii151.86 (3)
O1iii—Cs1—O2iv131.93 (4)O1xvi—Cs2—O1xxii108.15 (8)
O1iv—Cs1—O2iv48.07 (4)O1xvii—Cs2—O1xxii83.15 (6)
O1v—Cs1—O2iv79.29 (3)O1xviii—Cs2—O1xxii108.15 (8)
O1vi—Cs1—O2iv100.71 (3)O1iii—Cs2—O1xxii60.03 (5)
O2vii—Cs1—O2iv61.435 (13)O1xix—Cs2—O1xxii83.15 (6)
O2viii—Cs1—O2iv118.565 (14)O1i—Cs2—O1xxii60.03 (5)
O2ix—Cs1—O2iv61.435 (13)O1xx—Cs2—O1xxii48.22 (5)
O2—Cs1—O2iv118.566 (14)O1xxi—Cs2—O1xxii48.22 (5)
O2iii—Cs1—O2iv180.0O2—Cs2—V1vii86.53 (5)
O1x—Gd1—O1vi180.00 (5)O1xvi—Cs2—V1vii147.92 (2)
O1x—Gd1—O1xi88.78 (5)O1xvii—Cs2—V1vii147.92 (2)
O1vi—Gd1—O1xi91.22 (5)O1xviii—Cs2—V1vii92.44 (2)
O1x—Gd1—O1iv91.22 (5)O1iii—Cs2—V1vii92.44 (2)
O1vi—Gd1—O1iv88.78 (5)O1xix—Cs2—V1vii29.680 (19)
O1xi—Gd1—O1iv180.00 (6)O1i—Cs2—V1vii29.680 (19)
O1x—Gd1—O1xii88.78 (5)O1xx—Cs2—V1vii121.61 (8)
O1vi—Gd1—O1xii91.22 (5)O1xxi—Cs2—V1vii79.51 (4)
O1xi—Gd1—O1xii88.78 (5)O1xxii—Cs2—V1vii79.51 (4)
O1iv—Gd1—O1xii91.22 (5)O2—Cs2—V1iii86.53 (5)
O1x—Gd1—O1ii91.22 (5)O1xvi—Cs2—V1iii92.44 (2)
O1vi—Gd1—O1ii88.78 (5)O1xvii—Cs2—V1iii29.680 (19)
O1xi—Gd1—O1ii91.22 (5)O1xviii—Cs2—V1iii147.91 (2)
O1iv—Gd1—O1ii88.78 (5)O1iii—Cs2—V1iii29.681 (19)
O1xii—Gd1—O1ii180.00 (6)O1xix—Cs2—V1iii147.92 (2)
O1x—Gd1—K1xiii51.601 (16)O1i—Cs2—V1iii92.44 (2)
O1vi—Gd1—K1xiii128.399 (17)O1xx—Cs2—V1iii79.51 (4)
O1xi—Gd1—K1xiii51.602 (16)O1xxi—Cs2—V1iii121.61 (8)
O1iv—Gd1—K1xiii128.398 (16)O1xxii—Cs2—V1iii79.51 (4)
O1xii—Gd1—K1xiii117.93 (5)V1vii—Cs2—V1iii119.638 (11)
O1ii—Gd1—K1xiii62.07 (5)O2—V1—O1109.06 (5)
O1x—Gd1—K1vii128.399 (17)O2—V1—O1vi109.06 (5)
O1vi—Gd1—K1vii51.601 (16)O1—V1—O1vi109.88 (5)
O1xi—Gd1—K1vii128.398 (16)O2—V1—O1xxiii109.06 (5)
O1iv—Gd1—K1vii51.602 (16)O1—V1—O1xxiii109.88 (5)
O1xii—Gd1—K1vii62.07 (5)O1vi—V1—O1xxiii109.88 (5)
O1ii—Gd1—K1vii117.93 (5)O2—V1—K1vii93.60 (4)
K1xiii—Gd1—K1vii180.0O1—V1—K1vii157.34 (6)
O1x—Gd1—K1xiv117.93 (5)O1vi—V1—K1vii60.518 (16)
O1vi—Gd1—K1xiv62.07 (5)O1xxiii—V1—K1vii60.518 (16)
O1xi—Gd1—K1xiv51.602 (16)O2—V1—K1iii93.60 (4)
O1iv—Gd1—K1xiv128.398 (16)O1—V1—K1iii60.517 (16)
O1xii—Gd1—K1xiv51.602 (16)O1vi—V1—K1iii60.518 (16)
O1ii—Gd1—K1xiv128.398 (16)O1xxiii—V1—K1iii157.34 (6)
K1xiii—Gd1—K1xiv102.28 (4)K1vii—V1—K1iii119.610 (10)
K1vii—Gd1—K1xiv77.72 (4)O2—V1—K1xviii93.60 (4)
O1x—Gd1—K1ix62.07 (5)O1—V1—K1xviii60.517 (16)
O1vi—Gd1—K1ix117.93 (5)O1vi—V1—K1xviii157.34 (6)
O1xi—Gd1—K1ix128.398 (16)O1xxiii—V1—K1xviii60.518 (16)
O1iv—Gd1—K1ix51.602 (16)K1vii—V1—K1xviii119.610 (10)
O1xii—Gd1—K1ix128.398 (16)K1iii—V1—K1xviii119.609 (10)
O1ii—Gd1—K1ix51.602 (16)O2—V1—K1xiv180.0
K1xiii—Gd1—K1ix77.72 (4)O1—V1—K1xiv70.94 (5)
K1vii—Gd1—K1ix102.28 (4)O1vi—V1—K1xiv70.94 (5)
K1xiv—Gd1—K1ix180.0O1xxiii—V1—K1xiv70.94 (5)
O1x—Gd1—K1xv51.602 (16)K1vii—V1—K1xiv86.40 (4)
O1vi—Gd1—K1xv128.398 (16)K1iii—V1—K1xiv86.40 (4)
O1xi—Gd1—K1xv117.93 (5)K1xviii—V1—K1xiv86.40 (4)
O1iv—Gd1—K1xv62.07 (5)O2—V1—Cs1xxv59.187 (4)
O1xii—Gd1—K1xv51.602 (16)O1—V1—Cs1xxv49.87 (5)
O1ii—Gd1—K1xv128.398 (16)O1vi—V1—Cs1xxv124.970 (19)
K1xiii—Gd1—K1xv102.28 (4)O1xxiii—V1—Cs1xxv124.970 (19)
K1vii—Gd1—K1xv77.72 (4)K1vii—V1—Cs1xxv152.79 (5)
K1xiv—Gd1—K1xv102.28 (4)K1iii—V1—Cs1xxv66.64 (3)
K1ix—Gd1—K1xv77.72 (4)K1xviii—V1—Cs1xxv66.64 (3)
O1x—Gd1—K1iii128.398 (16)K1xiv—V1—Cs1xxv120.814 (4)
O1vi—Gd1—K1iii51.602 (16)O2—V1—Cs1xxvi59.187 (4)
O1xi—Gd1—K1iii62.07 (5)O1—V1—Cs1xxvi124.969 (19)
O1iv—Gd1—K1iii117.93 (5)O1vi—V1—Cs1xxvi124.970 (19)
O1xii—Gd1—K1iii128.398 (16)O1xxiii—V1—Cs1xxvi49.87 (5)
O1ii—Gd1—K1iii51.602 (16)K1vii—V1—Cs1xxvi66.65 (3)
K1xiii—Gd1—K1iii77.72 (4)K1iii—V1—Cs1xxvi152.78 (5)
K1vii—Gd1—K1iii102.28 (4)K1xviii—V1—Cs1xxvi66.65 (3)
K1xiv—Gd1—K1iii77.72 (4)K1xiv—V1—Cs1xxvi120.813 (4)
K1ix—Gd1—K1iii102.28 (4)Cs1xxv—V1—Cs1xxvi96.109 (5)
K1xv—Gd1—K1iii180.0O2—V1—Cs159.187 (4)
O2—K1—O1xvi96.52 (6)O1—V1—Cs1124.969 (19)
O2—K1—O1xvii96.52 (6)O1vi—V1—Cs149.87 (5)
O1xvi—K1—O1xvii63.65 (4)O1xxiii—V1—Cs1124.970 (19)
O2—K1—O1xviii96.52 (6)K1vii—V1—Cs166.65 (3)
O1xvi—K1—O1xviii55.49 (4)K1iii—V1—Cs166.65 (3)
O1xvii—K1—O1xviii118.73 (2)K1xviii—V1—Cs1152.78 (5)
O2—K1—O1iii96.52 (6)K1xiv—V1—Cs1120.813 (4)
O1xvi—K1—O1iii118.73 (2)Cs1xxv—V1—Cs196.109 (5)
O1xvii—K1—O1iii55.49 (4)Cs1xxvi—V1—Cs196.109 (5)
O1xviii—K1—O1iii166.32 (11)O2—V1—Cs20.0
O2—K1—O1xix96.52 (6)O1—V1—Cs2109.06 (5)
O1xvi—K1—O1xix118.73 (2)O1vi—V1—Cs2109.06 (5)
O1xvii—K1—O1xix166.32 (11)O1xxiii—V1—Cs2109.06 (5)
O1xviii—K1—O1xix63.65 (4)K1vii—V1—Cs293.60 (4)
O1iii—K1—O1xix118.73 (2)K1iii—V1—Cs293.60 (4)
O2—K1—O1i96.52 (6)K1xviii—V1—Cs293.60 (4)
O1xvi—K1—O1i166.32 (11)K1xiv—V1—Cs2180.0
O1xvii—K1—O1i118.73 (2)Cs1xxv—V1—Cs259.187 (4)
O1xviii—K1—O1i118.73 (2)Cs1xxvi—V1—Cs259.187 (4)
O1iii—K1—O1i63.65 (4)Cs1—V1—Cs259.187 (4)
O1xix—K1—O1i55.49 (4)V1—O1—Gd1xxv162.94 (8)
O2—K1—V1vii86.40 (4)V1—O1—K1xviii89.81 (3)
O1xvi—K1—V1vii147.94 (2)Gd1xxv—O1—K1xviii92.19 (4)
O1xvii—K1—V1vii147.94 (2)V1—O1—K1iii89.81 (3)
O1xviii—K1—V1vii92.45 (2)Gd1xxv—O1—K1iii92.19 (4)
O1iii—K1—V1vii92.45 (2)K1xviii—O1—K1iii166.32 (11)
O1xix—K1—V1vii29.676 (19)V1—O1—Cs1xxv105.95 (5)
O1i—K1—V1vii29.676 (19)Gd1xxv—O1—Cs1xxv91.12 (4)
O2—K1—V1iii86.40 (4)K1xviii—O1—Cs1xxv83.48 (5)
O1xvi—K1—V1iii92.45 (2)K1iii—O1—Cs1xxv83.48 (5)
O1xvii—K1—V1iii29.675 (19)V1—O2—Cs2180.0
O1xviii—K1—V1iii147.94 (2)V1—O2—K1180.0
O1iii—K1—V1iii29.676 (19)Cs2—O2—K10.0
O1xix—K1—V1iii147.94 (2)V1—O2—Cs1xxv96.93 (3)
O1i—K1—V1iii92.45 (2)Cs2—O2—Cs1xxv83.07 (3)
V1vii—K1—V1iii119.610 (10)K1—O2—Cs1xxv83.07 (3)
O2—K1—V1xviii86.40 (4)V1—O2—Cs1xxvi96.93 (3)
O1xvi—K1—V1xviii29.675 (19)Cs2—O2—Cs1xxvi83.07 (3)
O1xvii—K1—V1xviii92.45 (2)K1—O2—Cs1xxvi83.07 (3)
O1xviii—K1—V1xviii29.676 (19)Cs1xxv—O2—Cs1xxvi118.566 (13)
O1iii—K1—V1xviii147.94 (2)V1—O2—Cs196.93 (3)
O1xix—K1—V1xviii92.45 (2)Cs2—O2—Cs183.07 (3)
O1i—K1—V1xviii147.94 (2)K1—O2—Cs183.07 (3)
V1vii—K1—V1xviii119.610 (10)Cs1xxv—O2—Cs1118.566 (13)
V1iii—K1—V1xviii119.609 (10)Cs1xxvi—O2—Cs1118.566 (13)
O2—K1—V1xx180.0
  7 in total

1.  [K(2)CsYb(PO(4))(2)].

Authors:  Lotfi Rghioui; Lahcen el-Ammari; Larbi Benarafa; Jean Pierre Wignacourt
Journal:  Acta Crystallogr C       Date:  2002-06-12       Impact factor: 1.172

2.  [Theoretical and experimental vibrational spectroscopy study of K3Ln(PO4)2 phosphates].

Authors:  L Benarafa; L Rghioui; R Nejjar; M Saidi Idrissi; M Knidiri; A Lorriaux; F Wallart
Journal:  Spectrochim Acta A Mol Biomol Spectrosc       Date:  2005-01-14       Impact factor: 4.098

3.  Photoluminescence properties of Eu(3+)-doped glaserite-type orthovanadates CsK(2)Gd[VO(4)](2).

Authors:  Zhengxu Tao; Taiju Tsuboi; Yanlin Huang; Wei Huang; Peiqing Cai; Hyo Jin Seo
Journal:  Inorg Chem       Date:  2014-04-07       Impact factor: 5.165

4.  Comparison of silver and molybdenum microfocus X-ray sources for single-crystal structure determination.

Authors:  Lennard Krause; Regine Herbst-Irmer; George M Sheldrick; Dietmar Stalke
Journal:  J Appl Crystallogr       Date:  2015-01-30       Impact factor: 3.304

5.  SHELXT - integrated space-group and crystal-structure determination.

Authors:  George M Sheldrick
Journal:  Acta Crystallogr A Found Adv       Date:  2015-01-01       Impact factor: 2.290

6.  Crystal structure refinement with SHELXL.

Authors:  George M Sheldrick
Journal:  Acta Crystallogr C Struct Chem       Date:  2015-01-01       Impact factor: 1.172

7.  Bond-length distributions for ions bonded to oxygen: alkali and alkaline-earth metals.

Authors:  Olivier Charles Gagné; Frank Christopher Hawthorne
Journal:  Acta Crystallogr B Struct Sci Cryst Eng Mater       Date:  2016-08-01
  7 in total

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