Literature DB >> 24454012

Thulium nickel/lithium distannide, TmNi1-x Li x Sn2 (x = 0.035).

Andrij Stetskiv1, Ivan Tarasiuk2, Renata Misztal3, Volodymyr Pavlyuk4.   

Abstract

The quaternary thulium nickel/lithium distannide, TmNi1-x Li x Sn2 (x = 0.035), crystallizes in the ortho-rhom-bic LuNiSn2 structure type. The asymmetric unit contains three Tm sites, six Sn sites, two Ni sites and one Ni/Li site [relative occupancies = 0.895 (8):0.185 (8)]. Site symmetries are .m. for all atoms. The 17-, 18- and 19-vertex distorted pseudo-Frank-Kasper polyhedra are typical for all Tm atoms. Four Sn atoms are enclosed in a 12-vertex deformed cubo-octa-hedron, and another Sn atom is enclosed in a penta-gonal prism with three added atoms. A tricapped trigonal prism is typical for a further Sn atom. The coordination number for all Ni atoms and Ni/Li statistical mixtures is 12 (fourcapped trigonal prism [Ni/LiTm5Sn5]). Tm atoms form the base of a prism and Ni/Li atoms are at the centres of the side faces of an [SnTm6Ni/Li3] prism. These isolated prisms are implemented into three-dimensional-nets built out of Sn atoms. Electronic structure calculations using TB-LMTO-ASA suggest that the Tm and Ni/Li atoms form positively charged n[TmNi/Li] (m+) polycations which compensate the negative charge of 2n[Sn] (m-) polyanions. Analysis of the inter-atomic distances and electronic structure calculations indicate the dominance of a metallic type of bonding.

Entities:  

Year:  2013        PMID: 24454012      PMCID: PMC3884236          DOI: 10.1107/S1600536813027335

Source DB:  PubMed          Journal:  Acta Crystallogr Sect E Struct Rep Online        ISSN: 1600-5368


Related literature

For isotypic structures, see: Komarovskaya et al. (1983 ▶). For background of the study and related structures, see: Pavlyuk & Bodak (1992a ▶,b ▶); Pavlyuk et al. (1989a ▶,b ▶, 1991 ▶, 1993 ▶); Stetskiv et al. (2012 ▶, 2013 ▶). For electronic structure calculations, see: Andersen et al. (1986 ▶).

Experimental

Crystal data

TmNi0.965Li0.035Sn2 M = 463.23 Orthorhombic, a = 16.0285 (11) Å b = 4.3862 (4) Å c = 14.3684 (10) Å V = 1010.16 (14) Å3 Z = 12 Mo Kα radiation μ = 45.77 mm−1 T = 293 K 0.07 × 0.03 × 0.02 mm

Data collection

Oxford Diffraction Xcalibur3 CCD diffractometer Absorption correction: analytical (CrysAlis RED; Oxford Diffraction, 2008 ▶) T min = 0.213, T max = 0.403 6737 measured reflections 1304 independent reflections 1096 reflections with I > 2σ(I) R int = 0.034

Refinement

R[F 2 > 2σ(F 2)] = 0.026 wR(F 2) = 0.060 S = 1.18 1304 reflections 76 parameters Δρmax = 2.07 e Å−3 Δρmin = −2.13 e Å−3 Data collection: CrysAlis CCD (Oxford Diffraction, 2008 ▶); cell refinement: CrysAlis CCD; data reduction: CrysAlis RED (Oxford Diffraction, 2008 ▶); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008 ▶); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008 ▶); molecular graphics: DIAMOND (Brandenburg, 2006 ▶); software used to prepare material for publication: SHELXL97. Crystal structure: contains datablock(s) I, New_Global_Publ_Block. DOI: 10.1107/S1600536813027335/ff2120sup1.cif Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536813027335/ff2120Isup2.hkl Additional supplementary materials: crystallographic information; 3D view; checkCIF report
TmNi0.965Li0.035Sn2F(000) = 2353.5
Mr = 463.23Dx = 9.138 Mg m3
Orthorhombic, PnmaMo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ac 2nCell parameters from 1304 reflections
a = 16.0285 (11) Åθ = 3.8–27.5°
b = 4.3862 (4) ŵ = 45.77 mm1
c = 14.3684 (10) ÅT = 293 K
V = 1010.16 (14) Å3Prism, metallic dark gray
Z = 120.07 × 0.03 × 0.02 mm
Oxford Diffraction Xcalibur3 CCD diffractometer1304 independent reflections
Radiation source: fine-focus sealed tube1096 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.034
Detector resolution: 0 pixels mm-1θmax = 27.5°, θmin = 3.8°
ω scansh = −20→20
Absorption correction: analytical (CrysAlis RED; Oxford Diffraction, 2008)k = −3→5
Tmin = 0.213, Tmax = 0.403l = −18→18
6737 measured reflections
Refinement on F2Primary atom site location: structure-invariant direct methods
Least-squares matrix: fullSecondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.026w = 1/[σ2(Fo2) + (0.023P)2 + 11.3465P] where P = (Fo2 + 2Fc2)/3
wR(F2) = 0.060(Δ/σ)max = 0.006
S = 1.18Δρmax = 2.07 e Å3
1304 reflectionsΔρmin = −2.13 e Å3
76 parametersExtinction correction: SHELXL97 (Sheldrick, 2008), Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4
0 restraintsExtinction coefficient: 0.00030 (3)
Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes.
Refinement. Refinement of F2 against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F2, conventional R-factors R are based on F, with F set to zero for negative F2. The threshold expression of F2 > σ(F2) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F2 are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger.
xyzUiso*/UeqOcc. (<1)
Tm10.35386 (4)0.25000.10177 (4)0.01166 (15)
Tm20.15061 (4)0.2500−0.02797 (4)0.01120 (15)
Tm30.12704 (4)0.25000.22713 (4)0.01269 (15)
Sn40.02119 (5)−0.2500−0.07931 (6)0.0105 (2)
Sn50.46864 (6)−0.25000.23607 (7)0.0158 (2)
Sn60.21452 (6)−0.25000.10507 (6)0.0129 (2)
Sn70.32559 (6)0.2500−0.13071 (6)0.0118 (2)
Sn80.31632 (6)0.25000.32114 (7)0.0157 (2)
Sn90.45722 (6)−0.2500−0.05229 (7)0.0154 (2)
Ni100.29945 (11)−0.2500−0.04622 (13)0.0133 (4)
Ni110.05291 (10)−0.25000.10639 (12)0.0122 (4)
Ni120.30709 (12)−0.25000.24440 (14)0.0162 (7)0.895 (8)
Li120.30709 (12)−0.25000.24440 (14)0.0162 (7)0.105 (8)
U11U22U33U12U13U23
Tm10.0109 (3)0.0140 (3)0.0100 (3)0.0000.0005 (2)0.000
Tm20.0107 (3)0.0124 (3)0.0105 (3)0.0000.0011 (2)0.000
Tm30.0157 (3)0.0136 (3)0.0087 (3)0.000−0.0028 (2)0.000
Sn40.0092 (4)0.0106 (4)0.0117 (4)0.0000.0002 (3)0.000
Sn50.0162 (5)0.0174 (4)0.0138 (5)0.000−0.0035 (4)0.000
Sn60.0117 (5)0.0124 (4)0.0145 (5)0.0000.0009 (3)0.000
Sn70.0140 (5)0.0106 (4)0.0107 (5)0.0000.0014 (3)0.000
Sn80.0114 (5)0.0231 (5)0.0127 (5)0.000−0.0001 (3)0.000
Sn90.0087 (5)0.0174 (5)0.0201 (5)0.000−0.0015 (4)0.000
Ni100.0117 (9)0.0143 (8)0.0138 (9)0.000−0.0009 (7)0.000
Ni110.0116 (8)0.0124 (8)0.0127 (9)0.000−0.0004 (6)0.000
Ni120.0220 (12)0.0148 (11)0.0117 (11)0.000−0.0044 (8)0.000
Li120.0220 (12)0.0148 (11)0.0117 (11)0.000−0.0044 (8)0.000
Tm1—Li12i3.0938 (15)Sn5—Tm1xi3.4522 (9)
Tm1—Ni12i3.0938 (15)Sn6—Ni122.492 (2)
Tm1—Ni123.0938 (15)Sn6—Ni102.565 (2)
Tm1—Sn9ii3.1104 (11)Sn6—Ni112.5904 (19)
Tm1—Sn63.1306 (8)Sn6—Tm2xi3.0844 (8)
Tm1—Sn6i3.1306 (8)Sn6—Tm1xi3.1306 (8)
Tm1—Ni103.1768 (14)Sn6—Tm3xi3.1387 (8)
Tm1—Ni10i3.1768 (14)Sn7—Ni10i2.5415 (10)
Tm1—Sn83.2089 (11)Sn7—Ni102.5415 (10)
Tm1—Sn73.3711 (11)Sn7—Li12iii2.783 (2)
Tm1—Sn5i3.4522 (9)Sn7—Ni12iii2.783 (2)
Tm2—Sn6i3.0844 (8)Sn7—Tm3iii3.0916 (8)
Tm2—Sn63.0844 (8)Sn7—Tm3iv3.0916 (8)
Tm2—Sn43.1076 (8)Sn7—Sn8iii3.2345 (9)
Tm2—Sn4i3.1076 (8)Sn7—Sn8iv3.2345 (9)
Tm2—Sn8iii3.1290 (8)Sn7—Sn9i3.2451 (10)
Tm2—Sn8iv3.1290 (8)Sn7—Sn93.2451 (10)
Tm2—Sn4v3.1557 (11)Sn8—Ni122.4591 (10)
Tm2—Sn73.1695 (11)Sn8—Li12i2.4591 (10)
Tm2—Ni10i3.2512 (13)Sn8—Ni12i2.4591 (10)
Tm2—Ni103.2512 (13)Sn8—Ni10vii2.660 (2)
Tm2—Ni11i3.3150 (13)Sn8—Sn4vii2.9714 (13)
Tm2—Ni113.3150 (13)Sn8—Tm2vi3.1290 (8)
Tm3—Ni113.0383 (13)Sn8—Tm2vii3.1290 (8)
Tm3—Ni11i3.0383 (13)Sn8—Sn7vii3.2345 (9)
Tm3—Sn7vi3.0916 (8)Sn8—Sn7vi3.2345 (9)
Tm3—Sn7vii3.0916 (8)Sn9—Ni102.5303 (19)
Tm3—Sn63.1387 (8)Sn9—Sn9ii2.9914 (13)
Tm3—Sn6i3.1387 (8)Sn9—Sn9xiv2.9914 (13)
Tm3—Sn4v3.1868 (10)Sn9—Tm1ii3.1104 (11)
Tm3—Sn83.3210 (11)Sn9—Sn7xi3.2451 (10)
Tm3—Sn5viii3.3963 (8)Sn9—Tm3iii3.4450 (12)
Tm3—Sn5ix3.3963 (8)Sn9—Tm1xi3.5291 (9)
Tm3—Sn9vii3.4450 (12)Ni10—Sn7xi2.5415 (10)
Tm3—Ni10vii3.4631 (19)Ni10—Sn8iii2.660 (2)
Sn4—Ni11x2.5242 (9)Ni10—Tm1xi3.1768 (14)
Sn4—Ni11v2.5242 (9)Ni10—Tm2xi3.2512 (13)
Sn4—Ni112.7163 (19)Ni10—Tm3iii3.4631 (19)
Sn4—Sn8iii2.9714 (13)Ni11—Sn4x2.5242 (9)
Sn4—Tm2xi3.1076 (8)Ni11—Sn4v2.5242 (9)
Sn4—Tm2v3.1557 (11)Ni11—Sn5viii2.636 (2)
Sn4—Tm3v3.1868 (10)Ni11—Tm3xi3.0383 (13)
Sn4—Sn4v3.2350 (13)Ni11—Tm2xi3.3150 (13)
Sn4—Sn4x3.2350 (13)Ni11—Tm2v3.4512 (17)
Sn5—Ni122.592 (2)Ni12—Sn8xi2.4591 (10)
Sn5—Ni11xii2.636 (2)Ni12—Sn7vii2.783 (2)
Sn5—Tm3xii3.3963 (9)Ni12—Tm1xi3.0938 (15)
Sn5—Tm3xiii3.3963 (8)Ni12—Tm2vii3.340 (2)
Li12i—Tm1—Ni12i0.00 (9)Tm2—Sn6—Tm372.611 (17)
Li12i—Tm1—Ni1290.29 (6)Tm1—Sn6—Tm380.659 (16)
Ni12i—Tm1—Ni1290.29 (6)Tm1xi—Sn6—Tm3144.75 (4)
Li12i—Tm1—Sn9ii112.79 (4)Tm3xi—Sn6—Tm388.65 (3)
Ni12i—Tm1—Sn9ii112.79 (4)Ni10i—Sn7—Ni10119.29 (8)
Ni12—Tm1—Sn9ii112.79 (4)Ni10i—Sn7—Li12iii100.49 (5)
Li12i—Tm1—Sn6108.28 (4)Ni10—Sn7—Li12iii100.49 (5)
Ni12i—Tm1—Sn6108.28 (4)Ni10i—Sn7—Ni12iii100.49 (5)
Ni12—Tm1—Sn647.19 (4)Ni10—Sn7—Ni12iii100.49 (5)
Sn9ii—Tm1—Sn6134.268 (15)Li12iii—Sn7—Ni12iii0.00 (8)
Li12i—Tm1—Sn6i47.19 (4)Ni10i—Sn7—Tm3iii165.51 (5)
Ni12i—Tm1—Sn6i47.19 (4)Ni10—Sn7—Tm3iii75.16 (4)
Ni12—Tm1—Sn6i108.28 (4)Li12iii—Sn7—Tm3iii76.21 (4)
Sn9ii—Tm1—Sn6i134.268 (15)Ni12iii—Sn7—Tm3iii76.21 (4)
Sn6—Tm1—Sn6i88.94 (3)Ni10i—Sn7—Tm3iv75.16 (4)
Li12i—Tm1—Ni10150.02 (5)Ni10—Sn7—Tm3iv165.51 (5)
Ni12i—Tm1—Ni10150.02 (5)Li12iii—Sn7—Tm3iv76.21 (4)
Ni12—Tm1—Ni1083.54 (4)Ni12iii—Sn7—Tm3iv76.21 (4)
Sn9ii—Tm1—Ni1096.56 (4)Tm3iii—Sn7—Tm3iv90.37 (3)
Sn6—Tm1—Ni1047.98 (4)Ni10i—Sn7—Tm268.39 (4)
Sn6i—Tm1—Ni10107.33 (3)Ni10—Sn7—Tm268.39 (4)
Li12i—Tm1—Ni10i83.54 (4)Li12iii—Sn7—Tm267.91 (5)
Ni12i—Tm1—Ni10i83.54 (4)Ni12iii—Sn7—Tm267.91 (5)
Ni12—Tm1—Ni10i150.02 (5)Tm3iii—Sn7—Tm2121.67 (2)
Sn9ii—Tm1—Ni10i96.56 (4)Tm3iv—Sn7—Tm2121.67 (2)
Sn6—Tm1—Ni10i107.33 (3)Ni10i—Sn7—Sn8iii124.84 (5)
Sn6i—Tm1—Ni10i47.98 (4)Ni10—Sn7—Sn8iii53.21 (4)
Ni10—Tm1—Ni10i87.31 (5)Li12iii—Sn7—Sn8iii47.52 (2)
Li12i—Tm1—Sn845.89 (3)Ni12iii—Sn7—Sn8iii47.52 (2)
Ni12i—Tm1—Sn845.89 (3)Tm3iii—Sn7—Sn8iii63.28 (2)
Ni12—Tm1—Sn845.89 (3)Tm3iv—Sn7—Sn8iii120.82 (3)
Sn9ii—Tm1—Sn8114.02 (3)Tm2—Sn7—Sn8iii58.49 (2)
Sn6—Tm1—Sn881.45 (2)Ni10i—Sn7—Sn8iv53.21 (4)
Sn6i—Tm1—Sn881.45 (2)Ni10—Sn7—Sn8iv124.84 (5)
Ni10—Tm1—Sn8127.30 (3)Li12iii—Sn7—Sn8iv47.52 (2)
Ni10i—Tm1—Sn8127.30 (3)Ni12iii—Sn7—Sn8iv47.52 (2)
Li12i—Tm1—Sn7128.59 (3)Tm3iii—Sn7—Sn8iv120.82 (3)
Ni12i—Tm1—Sn7128.59 (3)Tm3iv—Sn7—Sn8iv63.28 (2)
Ni12—Tm1—Sn7128.59 (3)Tm2—Sn7—Sn8iv58.49 (2)
Sn9ii—Tm1—Sn784.51 (3)Sn8iii—Sn7—Sn8iv85.38 (3)
Sn6—Tm1—Sn785.36 (2)Ni10i—Sn7—Sn9i50.07 (4)
Sn6i—Tm1—Sn785.36 (2)Ni10—Sn7—Sn9i121.64 (5)
Ni10—Tm1—Sn745.56 (3)Li12iii—Sn7—Sn9i136.12 (2)
Ni10i—Tm1—Sn745.56 (3)Ni12iii—Sn7—Sn9i136.12 (2)
Sn8—Tm1—Sn7161.47 (3)Tm3iii—Sn7—Sn9i123.31 (3)
Li12i—Tm1—Sn5i46.26 (4)Tm3iv—Sn7—Sn9i65.81 (2)
Ni12i—Tm1—Sn5i46.26 (4)Tm2—Sn7—Sn9i114.43 (3)
Ni12—Tm1—Sn5i102.08 (4)Sn8iii—Sn7—Sn9i171.77 (4)
Sn9ii—Tm1—Sn5i66.98 (2)Sn8iv—Sn7—Sn9i94.201 (17)
Sn6—Tm1—Sn5i144.76 (3)Ni10i—Sn7—Sn9121.64 (5)
Sn6i—Tm1—Sn5i85.797 (19)Ni10—Sn7—Sn950.07 (4)
Ni10—Tm1—Sn5i163.54 (4)Li12iii—Sn7—Sn9136.12 (2)
Ni10i—Tm1—Sn5i94.70 (3)Ni12iii—Sn7—Sn9136.12 (2)
Sn8—Tm1—Sn5i63.31 (2)Tm3iii—Sn7—Sn965.81 (2)
Sn7—Tm1—Sn5i128.72 (2)Tm3iv—Sn7—Sn9123.31 (3)
Sn6i—Tm2—Sn690.64 (3)Tm2—Sn7—Sn9114.43 (3)
Sn6i—Tm2—Sn4150.53 (3)Sn8iii—Sn7—Sn994.201 (17)
Sn6—Tm2—Sn482.359 (19)Sn8iv—Sn7—Sn9171.77 (4)
Sn6i—Tm2—Sn4i82.359 (19)Sn9i—Sn7—Sn985.04 (3)
Sn6—Tm2—Sn4i150.53 (3)Ni10i—Sn7—Tm163.18 (4)
Sn4—Tm2—Sn4i89.78 (3)Ni10—Sn7—Tm163.18 (4)
Sn6i—Tm2—Sn8iii150.63 (3)Li12iii—Sn7—Tm1137.88 (5)
Sn6—Tm2—Sn8iii82.81 (2)Ni12iii—Sn7—Tm1137.88 (5)
Sn4—Tm2—Sn8iii56.91 (2)Tm3iii—Sn7—Tm1128.44 (2)
Sn4i—Tm2—Sn8iii116.31 (3)Tm3iv—Sn7—Tm1128.44 (2)
Sn6i—Tm2—Sn8iv82.81 (2)Tm2—Sn7—Tm169.97 (2)
Sn6—Tm2—Sn8iv150.63 (3)Sn8iii—Sn7—Tm1107.85 (3)
Sn4—Tm2—Sn8iv116.31 (3)Sn8iv—Sn7—Tm1107.85 (3)
Sn4i—Tm2—Sn8iv56.91 (2)Sn9i—Sn7—Tm164.44 (2)
Sn8iii—Tm2—Sn8iv89.00 (3)Sn9—Sn7—Tm164.44 (2)
Sn6i—Tm2—Sn4v89.26 (2)Ni12—Sn8—Li12i126.20 (9)
Sn6—Tm2—Sn4v89.26 (2)Ni12—Sn8—Ni12i126.20 (9)
Sn4—Tm2—Sn4v62.19 (2)Li12i—Sn8—Ni12i0.00 (12)
Sn4i—Tm2—Sn4v62.19 (2)Ni12—Sn8—Ni10vii106.22 (5)
Sn8iii—Tm2—Sn4v119.10 (2)Li12i—Sn8—Ni10vii106.22 (5)
Sn8iv—Tm2—Sn4v119.10 (2)Ni12i—Sn8—Ni10vii106.22 (5)
Sn6i—Tm2—Sn789.70 (2)Ni12—Sn8—Sn4vii105.58 (5)
Sn6—Tm2—Sn789.70 (2)Li12i—Sn8—Sn4vii105.58 (5)
Sn4—Tm2—Sn7118.70 (2)Ni12i—Sn8—Sn4vii105.58 (5)
Sn4i—Tm2—Sn7118.70 (2)Ni10vii—Sn8—Sn4vii105.46 (5)
Sn8iii—Tm2—Sn761.80 (2)Ni12—Sn8—Tm2vi161.07 (5)
Sn8iv—Tm2—Sn761.80 (2)Li12i—Sn8—Tm2vi72.29 (4)
Sn4v—Tm2—Sn7178.52 (3)Ni12i—Sn8—Tm2vi72.29 (4)
Sn6i—Tm2—Ni10i47.67 (3)Ni10vii—Sn8—Tm2vi67.78 (3)
Sn6—Tm2—Ni10i106.61 (3)Sn4vii—Sn8—Tm2vi61.18 (2)
Sn4—Tm2—Ni10i161.22 (4)Ni12—Sn8—Tm2vii72.29 (4)
Sn4i—Tm2—Ni10i89.69 (3)Li12i—Sn8—Tm2vii161.07 (5)
Sn8iii—Tm2—Ni10i107.01 (3)Ni12i—Sn8—Tm2vii161.07 (5)
Sn8iv—Tm2—Ni10i49.23 (3)Ni10vii—Sn8—Tm2vii67.78 (3)
Sn4v—Tm2—Ni10i132.82 (3)Sn4vii—Sn8—Tm2vii61.18 (2)
Sn7—Tm2—Ni10i46.61 (3)Tm2vi—Sn8—Tm2vii89.00 (3)
Sn6i—Tm2—Ni10106.61 (3)Ni12—Sn8—Tm164.59 (5)
Sn6—Tm2—Ni1047.67 (3)Li12i—Sn8—Tm164.59 (5)
Sn4—Tm2—Ni1089.69 (3)Ni12i—Sn8—Tm164.59 (5)
Sn4i—Tm2—Ni10161.22 (4)Ni10vii—Sn8—Tm1146.57 (5)
Sn8iii—Tm2—Ni1049.23 (3)Sn4vii—Sn8—Tm1107.97 (3)
Sn8iv—Tm2—Ni10107.01 (3)Tm2vi—Sn8—Tm1130.45 (2)
Sn4v—Tm2—Ni10132.82 (3)Tm2vii—Sn8—Tm1130.45 (2)
Sn7—Tm2—Ni1046.61 (3)Ni12—Sn8—Sn7vii56.56 (5)
Ni10i—Tm2—Ni1084.84 (4)Li12i—Sn8—Sn7vii131.17 (6)
Sn6i—Tm2—Ni11i47.59 (3)Ni12i—Sn8—Sn7vii131.17 (6)
Sn6—Tm2—Ni11i105.45 (3)Ni10vii—Sn8—Sn7vii49.92 (3)
Sn4—Tm2—Ni11i106.85 (3)Sn4vii—Sn8—Sn7vii120.89 (3)
Sn4i—Tm2—Ni11i49.91 (3)Tm2vi—Sn8—Sn7vii116.50 (3)
Sn8iii—Tm2—Ni11i161.30 (4)Tm2vii—Sn8—Sn7vii59.72 (2)
Sn8iv—Tm2—Ni11i91.14 (3)Tm1—Sn8—Sn7vii110.00 (3)
Sn4v—Tm2—Ni11i45.84 (2)Ni12—Sn8—Sn7vi131.17 (6)
Sn7—Tm2—Ni11i133.57 (3)Li12i—Sn8—Sn7vi56.56 (5)
Ni10i—Tm2—Ni11i86.98 (3)Ni12i—Sn8—Sn7vi56.56 (5)
Ni10—Tm2—Ni11i147.13 (5)Ni10vii—Sn8—Sn7vi49.92 (3)
Sn6i—Tm2—Ni11105.45 (3)Sn4vii—Sn8—Sn7vi120.89 (3)
Sn6—Tm2—Ni1147.59 (3)Tm2vi—Sn8—Sn7vi59.72 (2)
Sn4—Tm2—Ni1149.91 (3)Tm2vii—Sn8—Sn7vi116.50 (3)
Sn4i—Tm2—Ni11106.85 (3)Tm1—Sn8—Sn7vi110.00 (3)
Sn8iii—Tm2—Ni1191.14 (3)Sn7vii—Sn8—Sn7vi85.38 (3)
Sn8iv—Tm2—Ni11161.30 (4)Ni12—Sn8—Tm376.27 (5)
Sn4v—Tm2—Ni1145.84 (2)Li12i—Sn8—Tm376.27 (5)
Sn7—Tm2—Ni11133.57 (3)Ni12i—Sn8—Tm376.27 (5)
Ni10i—Tm2—Ni11147.13 (5)Ni10vii—Sn8—Tm369.76 (5)
Ni10—Tm2—Ni1186.98 (3)Sn4vii—Sn8—Tm3175.22 (4)
Ni11i—Tm2—Ni1182.84 (4)Tm2vi—Sn8—Tm3115.88 (2)
Ni11—Tm3—Ni11i92.41 (5)Tm2vii—Sn8—Tm3115.88 (2)
Ni11—Tm3—Sn7vi170.17 (4)Tm1—Sn8—Tm376.81 (3)
Ni11i—Tm3—Sn7vi87.78 (3)Sn7vii—Sn8—Tm356.26 (2)
Ni11—Tm3—Sn7vii87.78 (3)Sn7vi—Sn8—Tm356.26 (2)
Ni11i—Tm3—Sn7vii170.17 (4)Ni10—Sn9—Sn9ii116.16 (5)
Sn7vi—Tm3—Sn7vii90.37 (3)Ni10—Sn9—Sn9xiv116.16 (5)
Ni11—Tm3—Sn649.56 (3)Sn9ii—Sn9—Sn9xiv94.30 (5)
Ni11i—Tm3—Sn6111.10 (4)Ni10—Sn9—Tm1ii168.76 (6)
Sn7vi—Tm3—Sn6139.03 (3)Sn9ii—Sn9—Tm1ii70.64 (3)
Sn7vii—Tm3—Sn676.34 (2)Sn9xiv—Sn9—Tm1ii70.64 (3)
Ni11—Tm3—Sn6i111.10 (4)Ni10—Sn9—Sn7xi50.37 (3)
Ni11i—Tm3—Sn6i49.56 (3)Sn9ii—Sn9—Sn7xi165.45 (5)
Sn7vi—Tm3—Sn6i76.34 (2)Sn9xiv—Sn9—Sn7xi88.68 (2)
Sn7vii—Tm3—Sn6i139.03 (3)Tm1ii—Sn9—Sn7xi123.61 (3)
Sn6—Tm3—Sn6i88.65 (3)Ni10—Sn9—Sn750.37 (3)
Ni11—Tm3—Sn4v47.77 (3)Sn9ii—Sn9—Sn788.68 (2)
Ni11i—Tm3—Sn4v47.77 (3)Sn9xiv—Sn9—Sn7165.45 (5)
Sn7vi—Tm3—Sn4v128.566 (19)Tm1ii—Sn9—Sn7123.61 (3)
Sn7vii—Tm3—Sn4v128.566 (19)Sn7xi—Sn9—Sn785.04 (3)
Sn6—Tm3—Sn4v87.74 (2)Ni10—Sn9—Tm3iii68.89 (5)
Sn6i—Tm3—Sn4v87.74 (2)Sn9ii—Sn9—Tm3iii129.93 (3)
Ni11—Tm3—Sn8126.12 (3)Sn9xiv—Sn9—Tm3iii129.93 (3)
Ni11i—Tm3—Sn8126.12 (3)Tm1ii—Sn9—Tm3iii99.87 (3)
Sn7vi—Tm3—Sn860.46 (2)Sn7xi—Sn9—Tm3iii54.95 (2)
Sn7vii—Tm3—Sn860.46 (2)Sn7—Sn9—Tm3iii54.95 (2)
Sn6—Tm3—Sn879.58 (2)Ni10—Sn9—Tm160.61 (3)
Sn6i—Tm3—Sn879.58 (2)Sn9ii—Sn9—Tm156.25 (3)
Sn4v—Tm3—Sn8162.20 (3)Sn9xiv—Sn9—Tm1110.83 (5)
Ni11—Tm3—Sn5viii47.97 (4)Tm1ii—Sn9—Tm1126.90 (2)
Ni11i—Tm3—Sn5viii105.23 (3)Sn7xi—Sn9—Tm1109.43 (3)
Sn7vi—Tm3—Sn5viii122.60 (3)Sn7—Sn9—Tm159.51 (2)
Sn7vii—Tm3—Sn5viii67.83 (2)Tm3iii—Sn9—Tm1113.14 (2)
Sn6—Tm3—Sn5viii88.266 (18)Ni10—Sn9—Tm1xi60.61 (3)
Sn6i—Tm3—Sn5viii150.70 (3)Sn9ii—Sn9—Tm1xi110.83 (5)
Sn4v—Tm3—Sn5viii63.03 (2)Sn9xiv—Sn9—Tm1xi56.25 (3)
Sn8—Tm3—Sn5viii128.29 (2)Tm1ii—Sn9—Tm1xi126.90 (2)
Ni11—Tm3—Sn5ix105.23 (3)Sn7xi—Sn9—Tm1xi59.51 (2)
Ni11i—Tm3—Sn5ix47.97 (4)Sn7—Sn9—Tm1xi109.43 (3)
Sn7vi—Tm3—Sn5ix67.83 (2)Tm3iii—Sn9—Tm1xi113.14 (2)
Sn7vii—Tm3—Sn5ix122.60 (3)Tm1—Sn9—Tm1xi76.84 (2)
Sn6—Tm3—Sn5ix150.70 (3)Sn9—Ni10—Sn7xi79.56 (5)
Sn6i—Tm3—Sn5ix88.266 (18)Sn9—Ni10—Sn779.56 (5)
Sn4v—Tm3—Sn5ix63.03 (2)Sn7xi—Ni10—Sn7119.29 (8)
Sn8—Tm3—Sn5ix128.29 (2)Sn9—Ni10—Sn6124.03 (8)
Sn5viii—Tm3—Sn5ix80.44 (2)Sn7xi—Ni10—Sn6119.49 (4)
Ni11—Tm3—Sn9vii111.84 (4)Sn7—Ni10—Sn6119.49 (4)
Ni11i—Tm3—Sn9vii111.84 (4)Sn9—Ni10—Sn8iii132.26 (8)
Sn7vi—Tm3—Sn9vii59.24 (2)Sn7xi—Ni10—Sn8iii76.87 (5)
Sn7vii—Tm3—Sn9vii59.24 (2)Sn7—Ni10—Sn8iii76.87 (5)
Sn6—Tm3—Sn9vii133.565 (16)Sn6—Ni10—Sn8iii103.71 (7)
Sn6i—Tm3—Sn9vii133.565 (16)Sn9—Ni10—Tm175.45 (4)
Sn4v—Tm3—Sn9vii108.72 (3)Sn7xi—Ni10—Tm1150.48 (7)
Sn8—Tm3—Sn9vii89.08 (3)Sn7—Ni10—Tm171.26 (3)
Sn5viii—Tm3—Sn9vii64.13 (2)Sn6—Ni10—Tm165.06 (4)
Sn5ix—Tm3—Sn9vii64.13 (2)Sn8iii—Ni10—Tm1132.15 (3)
Ni11—Tm3—Ni10vii132.07 (3)Sn9—Ni10—Tm1xi75.45 (4)
Ni11i—Tm3—Ni10vii132.07 (3)Sn7xi—Ni10—Tm1xi71.26 (3)
Sn7vi—Tm3—Ni10vii45.186 (14)Sn7—Ni10—Tm1xi150.48 (7)
Sn7vii—Tm3—Ni10vii45.186 (14)Sn6—Ni10—Tm1xi65.06 (4)
Sn6—Tm3—Ni10vii111.93 (3)Sn8iii—Ni10—Tm1xi132.15 (3)
Sn6i—Tm3—Ni10vii111.93 (3)Tm1—Ni10—Tm1xi87.31 (5)
Sn4v—Tm3—Ni10vii151.69 (4)Sn9—Ni10—Tm2xi137.40 (2)
Sn8—Tm3—Ni10vii46.11 (3)Sn7xi—Ni10—Tm2xi65.00 (3)
Sn5viii—Tm3—Ni10vii96.20 (3)Sn7—Ni10—Tm2xi137.87 (7)
Sn5ix—Tm3—Ni10vii96.20 (3)Sn6—Ni10—Tm2xi62.75 (4)
Sn9vii—Tm3—Ni10vii42.97 (3)Sn8iii—Ni10—Tm2xi62.99 (4)
Ni11x—Sn4—Ni11v120.64 (7)Tm1—Ni10—Tm2xi127.82 (6)
Ni11x—Sn4—Ni11103.86 (4)Tm1xi—Ni10—Tm2xi71.45 (2)
Ni11v—Sn4—Ni11103.86 (4)Sn9—Ni10—Tm2137.40 (2)
Ni11x—Sn4—Sn8iii109.77 (4)Sn7xi—Ni10—Tm2137.87 (7)
Ni11v—Sn4—Sn8iii109.77 (4)Sn7—Ni10—Tm265.00 (3)
Ni11—Sn4—Sn8iii107.99 (5)Sn6—Ni10—Tm262.75 (4)
Ni11x—Sn4—Tm2164.54 (4)Sn8iii—Ni10—Tm262.99 (4)
Ni11v—Sn4—Tm274.78 (3)Tm1—Ni10—Tm271.45 (2)
Ni11—Sn4—Tm269.01 (3)Tm1xi—Ni10—Tm2127.82 (6)
Sn8iii—Sn4—Tm261.91 (2)Tm2xi—Ni10—Tm284.84 (4)
Ni11x—Sn4—Tm2xi74.78 (3)Sn9—Ni10—Tm3iii68.13 (5)
Ni11v—Sn4—Tm2xi164.54 (4)Sn7xi—Ni10—Tm3iii59.65 (4)
Ni11—Sn4—Tm2xi69.01 (3)Sn7—Ni10—Tm3iii59.65 (4)
Sn8iii—Sn4—Tm2xi61.91 (2)Sn6—Ni10—Tm3iii167.84 (7)
Tm2—Sn4—Tm2xi89.78 (3)Sn8iii—Ni10—Tm3iii64.13 (4)
Ni11x—Sn4—Tm2v70.41 (4)Tm1—Ni10—Tm3iii122.41 (4)
Ni11v—Sn4—Tm2v70.41 (4)Tm1xi—Ni10—Tm3iii122.41 (4)
Ni11—Sn4—Tm2v71.55 (4)Tm2xi—Ni10—Tm3iii109.00 (4)
Sn8iii—Sn4—Tm2v179.53 (4)Tm2—Ni10—Tm3iii109.00 (4)
Tm2—Sn4—Tm2v117.81 (2)Sn4x—Ni11—Sn4v120.64 (7)
Tm2xi—Sn4—Tm2v117.81 (2)Sn4x—Ni11—Sn6117.99 (4)
Ni11x—Sn4—Tm3v63.03 (4)Sn4v—Ni11—Sn6117.99 (4)
Ni11v—Sn4—Tm3v63.03 (4)Sn4x—Ni11—Sn5viii83.76 (5)
Ni11—Sn4—Tm3v142.59 (5)Sn4v—Ni11—Sn5viii83.76 (5)
Sn8iii—Sn4—Tm3v109.43 (3)Sn6—Ni11—Sn5viii121.24 (7)
Tm2—Sn4—Tm3v130.985 (18)Sn4x—Ni11—Sn476.14 (4)
Tm2xi—Sn4—Tm3v130.985 (18)Sn4v—Ni11—Sn476.14 (4)
Tm2v—Sn4—Tm3v71.04 (2)Sn6—Ni11—Sn4100.37 (6)
Ni11x—Sn4—Sn4v126.78 (6)Sn5viii—Ni11—Sn4138.39 (7)
Ni11v—Sn4—Sn4v54.61 (4)Sn4x—Ni11—Tm3154.05 (7)
Ni11—Sn4—Sn4v49.25 (3)Sn4v—Ni11—Tm369.20 (2)
Sn8iii—Sn4—Sn4v121.54 (3)Sn6—Ni11—Tm367.24 (4)
Tm2—Sn4—Sn4v59.64 (2)Sn5viii—Ni11—Tm373.14 (4)
Tm2xi—Sn4—Sn4v116.83 (4)Sn4—Ni11—Tm3129.35 (3)
Tm2v—Sn4—Sn4v58.17 (3)Sn4x—Ni11—Tm3xi69.20 (2)
Tm3v—Sn4—Sn4v108.24 (3)Sn4v—Ni11—Tm3xi154.05 (7)
Ni11x—Sn4—Sn4x54.61 (4)Sn6—Ni11—Tm3xi67.24 (4)
Ni11v—Sn4—Sn4x126.78 (6)Sn5viii—Ni11—Tm3xi73.14 (4)
Ni11—Sn4—Sn4x49.25 (3)Sn4—Ni11—Tm3xi129.35 (3)
Sn8iii—Sn4—Sn4x121.54 (3)Tm3—Ni11—Tm3xi92.41 (5)
Tm2—Sn4—Sn4x116.83 (4)Sn4x—Ni11—Tm2135.01 (7)
Tm2xi—Sn4—Sn4x59.64 (2)Sn4v—Ni11—Tm263.75 (3)
Tm2v—Sn4—Sn4x58.17 (3)Sn6—Ni11—Tm261.53 (3)
Tm3v—Sn4—Sn4x108.24 (3)Sn5viii—Ni11—Tm2137.92 (2)
Sn4v—Sn4—Sn4x85.36 (4)Sn4—Ni11—Tm261.07 (3)
Ni12—Sn5—Ni11xii118.18 (7)Tm3—Ni11—Tm270.75 (2)
Ni12—Sn5—Tm3xii137.69 (2)Tm3xi—Ni11—Tm2128.71 (6)
Ni11xii—Sn5—Tm3xii58.89 (3)Sn4x—Ni11—Tm2xi63.75 (3)
Ni12—Sn5—Tm3xiii137.69 (2)Sn4v—Ni11—Tm2xi135.01 (7)
Ni11xii—Sn5—Tm3xiii58.89 (3)Sn6—Ni11—Tm2xi61.53 (3)
Tm3xii—Sn5—Tm3xiii80.44 (2)Sn5viii—Ni11—Tm2xi137.92 (2)
Ni12—Sn5—Tm1xi59.57 (4)Sn4—Ni11—Tm2xi61.07 (3)
Ni11xii—Sn5—Tm1xi138.857 (19)Tm3—Ni11—Tm2xi128.71 (6)
Tm3xii—Sn5—Tm1xi153.58 (3)Tm3xi—Ni11—Tm2xi70.75 (2)
Tm3xiii—Sn5—Tm1xi94.310 (14)Tm2—Ni11—Tm2xi82.84 (4)
Ni12—Sn5—Tm159.57 (4)Sn4x—Ni11—Tm2v60.33 (4)
Ni11xii—Sn5—Tm1138.857 (19)Sn4v—Ni11—Tm2v60.33 (4)
Tm3xii—Sn5—Tm194.310 (14)Sn6—Ni11—Tm2v160.53 (7)
Tm3xiii—Sn5—Tm1153.58 (3)Sn5viii—Ni11—Tm2v78.23 (5)
Tm1xi—Sn5—Tm178.88 (2)Sn4—Ni11—Tm2v60.16 (4)
Ni12—Sn6—Ni10111.40 (7)Tm3—Ni11—Tm2v123.78 (4)
Ni12—Sn6—Ni11126.13 (7)Tm3xi—Ni11—Tm2v123.78 (4)
Ni10—Sn6—Ni11122.47 (7)Tm2—Ni11—Tm2v104.85 (4)
Ni12—Sn6—Tm2xi134.083 (17)Tm2xi—Ni11—Tm2v104.85 (4)
Ni10—Sn6—Tm2xi69.57 (3)Sn8—Ni12—Sn8xi126.20 (9)
Ni11—Sn6—Tm2xi70.88 (3)Sn8—Ni12—Sn6113.33 (5)
Ni12—Sn6—Tm2134.083 (17)Sn8xi—Ni12—Sn6113.33 (5)
Ni10—Sn6—Tm269.57 (3)Sn8—Ni12—Sn587.74 (6)
Ni11—Sn6—Tm270.88 (3)Sn8xi—Ni12—Sn587.74 (6)
Tm2xi—Sn6—Tm290.64 (3)Sn6—Ni12—Sn5123.90 (9)
Ni12—Sn6—Tm165.63 (4)Sn8—Ni12—Sn7vii75.93 (5)
Ni10—Sn6—Tm166.95 (3)Sn8xi—Ni12—Sn7vii75.93 (5)
Ni11—Sn6—Tm1135.524 (14)Sn6—Ni12—Sn7vii93.61 (7)
Tm2xi—Sn6—Tm1136.53 (3)Sn5—Ni12—Sn7vii142.49 (8)
Tm2—Sn6—Tm174.304 (16)Sn8—Ni12—Tm1xi156.15 (8)
Ni12—Sn6—Tm1xi65.63 (4)Sn8xi—Ni12—Tm1xi69.53 (3)
Ni10—Sn6—Tm1xi66.95 (3)Sn6—Ni12—Tm1xi67.18 (4)
Ni11—Sn6—Tm1xi135.524 (14)Sn5—Ni12—Tm1xi74.18 (5)
Tm2xi—Sn6—Tm1xi74.304 (16)Sn7vii—Ni12—Tm1xi127.76 (4)
Tm2—Sn6—Tm1xi136.53 (3)Sn8—Ni12—Tm169.53 (3)
Tm1—Sn6—Tm1xi88.94 (3)Sn8xi—Ni12—Tm1156.15 (8)
Ni12—Sn6—Tm3xi79.46 (4)Sn6—Ni12—Tm167.18 (4)
Ni10—Sn6—Tm3xi135.290 (16)Sn5—Ni12—Tm174.18 (5)
Ni11—Sn6—Tm3xi63.20 (3)Sn7vii—Ni12—Tm1127.76 (4)
Tm2xi—Sn6—Tm3xi72.611 (17)Tm1xi—Ni12—Tm190.29 (6)
Tm2—Sn6—Tm3xi134.01 (3)Sn8—Ni12—Tm2vii63.18 (5)
Tm1—Sn6—Tm3xi144.75 (4)Sn8xi—Ni12—Tm2vii63.18 (5)
Tm1xi—Sn6—Tm3xi80.659 (16)Sn6—Ni12—Tm2vii155.17 (8)
Ni12—Sn6—Tm379.46 (4)Sn5—Ni12—Tm2vii80.93 (6)
Ni10—Sn6—Tm3135.290 (16)Sn7vii—Ni12—Tm2vii61.56 (4)
Ni11—Sn6—Tm363.20 (3)Tm1xi—Ni12—Tm2vii126.83 (4)
Tm2xi—Sn6—Tm3134.01 (3)Tm1—Ni12—Tm2vii126.83 (4)
  4 in total

1.  A short history of SHELX.

Authors:  George M Sheldrick
Journal:  Acta Crystallogr A       Date:  2007-12-21       Impact factor: 2.290

2.  Illustration of the linear-muffin-tin-orbital tight-binding representation: Compact orbitals and charge density in Si.

Authors: 
Journal:  Phys Rev B Condens Matter       Date:  1986-10-15

3.  Tm2.22Co6Sn20 and TmLi2Co6Sn20 stannides as disordered derivatives of the Cr23C6 structure type.

Authors:  Andrij Stetskiv; Beata Rozdzynska-Kielbik; Volodymyr Pavlyuk
Journal:  Acta Crystallogr C       Date:  2013-06-08       Impact factor: 1.172

4.  Terbium (lithium zinc) distannide, TbLi(1-x)Zn(x)Sn(2) (x = 0.2).

Authors:  Andrij Stetskiv; Ivan Tarasiuk; Beata Rozdzynska-Kielbik; Igor Oshchapovsky; Volodymyr Pavlyuk
Journal:  Acta Crystallogr Sect E Struct Rep Online       Date:  2012-01-21
  4 in total

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