Literature DB >> 24454149

The P43 enanti-omorph of Sr2As2O7.

Aicha Mbarek1, Fadhila Edhokkar2.   

Abstract

The crystal structure of strontium diarsenate has been reinvestigated from single-crystal X-ray diffraction data. In contrast to the previous determinations of this structure [Weil et al. (2009 ▶). Solid State Sci. 11, 2111-2117; Edhokkar et al. (2012 ▶). Mater. Sci. Eng., 28, 012017] and to all isotypic A 2 B 2O7 compounds that crystallize in the space group P41, the current redetermination revealed the P43 enanti-omorph of Sr2As2O7 with a purity of 96.3 (8)%. The crystal structure is made up from two eclipsed As2O7 diarsenate groups (symmetry 1) with characteristically longer As-O bridging bonds [1.756 (4)-1.781 (4) Å] than the terminal As-O bonds [1.636 (4)-1.679 (4) Å] and four Sr(2+) sites with coordination numbers ranging from seven to nine. The building units are arranged in sheets parallel to (001).

Entities:  

Year:  2013        PMID： 24454149      PMCID： PMC3884974          DOI： 10.1107/S1600536813031619

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


Related literature

The crystal structure of Sr2As2O7 has previously been refined from X-ray powder diffraction data (Weil et al., 2009 ▶) in the space group P41 and was later reinvestigated (Edhokkar et al., 2012 ▶). For isotypic structures crystallizing in space group P41, see: Baglio & Dann (1972 ▶); Webb (1966 ▶); Boudin et al. (1993 ▶); Müller-Bunz & Schleid (2000 ▶); Deng & Ibers (2005 ▶). For general structural features of the pyroarsenate anion, see: Weil & Stöger (2010 ▶).

Experimental

Crystal data

Sr2As2O7 M = 437.08 Tetragonal, a = 7.1089 (1) Å c = 25.6160 (4) Å V = 1294.54 (4) Å3 Z = 8 Mo Kα radiation μ = 26.62 mm−1 T = 296 K 0.75 × 0.43 × 0.14 mm

Data collection

Bruker APEXII CCD diffractometer Absorption correction: multi-scan (SADABS; Bruker, 2008 ▶) T min = 0.448, T max = 0.751 18524 measured reflections 4930 independent reflections 4593 reflections with I > 2σ(I) R int = 0.035

Refinement

R[F 2 > 2σ(F 2)] = 0.022 wR(F 2) = 0.044 S = 1.01 4930 reflections 201 parameters 1 restraint Δρmax = 0.92 e Å−3 Δρmin = −1.34 e Å−3 Absolute structure: Flack (1983 ▶), 2400 Friedel pairs Absolute structure parameter: 0.037 (8) Data collection: APEX2 (Bruker, 2008 ▶); cell refinement: SAINT (Bruker, 2008 ▶); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008 ▶); program(s) used to refine structure: SHELXL2013 (Sheldrick, 2008 ▶); molecular graphics: DIAMOND (Brandenburg, 1999 ▶) and ORTEP-3 for Windows (Farrugia, 2012 ▶); software used to prepare material for publication: SHELXTL (Sheldrick, 2008 ▶). Crystal structure: contains datablock(s) I, New_Global_Publ_Block. DOI: 10.1107/S1600536813031619/wm2770sup1.cif Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536813031619/wm2770Isup2.hkl Additional supplementary materials: crystallographic information; 3D view; checkCIF report
Sr2As2O7Dx = 4.485 Mg m−3
Mr = 437.08Mo Kα radiation, λ = 0.71073 Å
Tetragonal, P43Cell parameters from 8103 reflections
a = 7.1089 (1) Åθ = 3.3–33.2°
c = 25.6160 (4) ŵ = 26.62 mm−1
V = 1294.54 (4) Å3T = 296 K
Z = 8Block, colourless
F(000) = 15840.75 × 0.43 × 0.14 mm
Bruker APEXII CCD diffractometer4930 independent reflections
Radiation source: fine-focus sealed tube4593 reflections with I > 2σ(I)
Detector resolution: 8.3333 pixels mm-1Rint = 0.035
ω and φ scansθmax = 33.2°, θmin = 2.9°
Absorption correction: multi-scan (SADABS; Bruker, 2008)h = −10→10
Tmin = 0.448, Tmax = 0.751k = −6→10
18524 measured reflectionsl = −39→39
Refinement on F2w = 1/[σ2(Fo2) + (0.0055P)2] where P = (Fo2 + 2Fc2)/3
Least-squares matrix: full(Δ/σ)max = 0.021
R[F2 > 2σ(F2)] = 0.022Δρmax = 0.92 e Å−3
wR(F2) = 0.044Δρmin = −1.34 e Å−3
S = 1.01Extinction correction: SHELXL2013 (Sheldrick, 2008), Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4
4930 reflectionsExtinction coefficient: 0.00348 (16)
201 parametersAbsolute structure: Flack (1983), 2400 Friedel pairs
1 restraintAbsolute structure parameter: 0.037 (8)
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. Refined as a 2-component inversion twin.
xyzUiso*/Ueq
Sr10.26434 (7)0.22687 (7)0.42638 (2)0.01083 (10)
Sr20.02701 (7)0.34822 (7)0.57318 (2)0.00890 (9)
Sr30.15408 (7)0.39584 (7)0.92865 (2)0.01120 (10)
Sr40.37469 (7)0.25769 (7)0.06464 (2)0.01125 (10)
As10.14561 (7)0.23414 (7)0.69696 (2)0.00774 (10)
As20.22057 (7)0.48276 (7)0.79885 (2)0.00756 (9)
As30.18673 (7)0.10525 (7)0.29124 (2)0.00678 (9)
As41.24906 (7)0.35443 (7)0.19001 (2)0.00640 (9)
O10.4586 (5)0.3299 (5)−0.02876 (14)0.0127 (7)
O21.0936 (5)0.3899 (6)0.14240 (14)0.0126 (7)
O30.4187 (5)0.2147 (5)0.16739 (14)0.0109 (7)
O41.1085 (5)0.2261 (5)0.23449 (14)0.0113 (7)
O50.2999 (6)0.2626 (5)0.32782 (14)0.0139 (7)
O60.0777 (5)0.3681 (6)0.75140 (15)0.0127 (7)
O70.2725 (6)0.3751 (6)0.65898 (15)0.0152 (8)
O80.0556 (5)0.3427 (6)0.02051 (14)0.0121 (7)
O90.3251 (5)0.3037 (6)0.52047 (14)0.0129 (7)
O100.4811 (6)0.0546 (6)0.59334 (14)0.0163 (8)
O110.0026 (6)0.0009 (7)0.31632 (16)0.0189 (8)
O120.3813 (6)0.3334 (6)0.82115 (17)0.0182 (8)
O130.2817 (6)0.0576 (5)0.71776 (14)0.0122 (7)
O140.1680 (6)0.0503 (6)0.91819 (15)0.0156 (8)
U11U22U33U12U13U23
Sr10.0132 (2)0.0110 (2)0.00828 (19)0.00248 (18)0.00247 (16)0.00013 (16)
Sr20.0089 (2)0.0093 (2)0.00851 (18)0.00103 (17)0.00050 (15)−0.00005 (16)
Sr30.0120 (2)0.0120 (2)0.00960 (19)0.00213 (18)−0.00190 (17)0.00077 (16)
Sr40.0129 (2)0.0132 (2)0.00763 (18)0.00355 (19)−0.00066 (16)0.00142 (16)
As10.0091 (2)0.0073 (2)0.0068 (2)0.00129 (19)−0.00043 (16)−0.00053 (16)
As20.0083 (2)0.0084 (2)0.00595 (19)−0.00026 (19)−0.00020 (17)0.00083 (17)
As30.0076 (2)0.0081 (2)0.00462 (19)0.00012 (18)0.00048 (16)0.00111 (16)
As40.0073 (2)0.0073 (2)0.00457 (18)0.00068 (18)0.00009 (15)−0.00018 (16)
O10.0133 (18)0.0152 (19)0.0096 (15)0.0030 (15)0.0030 (13)−0.0028 (14)
O20.0128 (18)0.0175 (19)0.0075 (15)−0.0007 (16)−0.0048 (13)0.0039 (14)
O30.0098 (17)0.0108 (17)0.0121 (16)0.0030 (14)0.0039 (13)−0.0032 (13)
O40.0087 (17)0.0170 (18)0.0083 (15)0.0000 (15)−0.0006 (12)0.0069 (13)
O50.020 (2)0.0112 (18)0.0101 (16)−0.0031 (15)−0.0064 (15)−0.0013 (13)
O60.0123 (18)0.0159 (18)0.0098 (14)0.0029 (15)−0.0020 (13)−0.0076 (13)
O70.0156 (19)0.0155 (19)0.0146 (17)0.0006 (16)0.0049 (14)0.0042 (14)
O80.0122 (18)0.0149 (19)0.0092 (16)−0.0041 (15)−0.0006 (13)0.0011 (13)
O90.0101 (18)0.017 (2)0.0114 (16)0.0024 (15)−0.0034 (13)0.0018 (14)
O100.026 (2)0.014 (2)0.0090 (17)0.0048 (17)0.0049 (15)0.0046 (13)
O110.0121 (19)0.027 (2)0.0178 (18)−0.0041 (18)0.0026 (15)0.0114 (16)
O120.017 (2)0.0113 (19)0.026 (2)0.0025 (16)−0.0098 (16)0.0051 (16)
O130.0158 (18)0.0089 (17)0.0120 (16)0.0037 (15)−0.0005 (14)0.0017 (13)
O140.022 (2)0.0133 (19)0.0119 (17)0.0013 (16)−0.0051 (14)0.0050 (14)
Sr1—O92.509 (4)As2—O121.661 (4)
Sr1—O52.550 (4)As2—O61.781 (4)
Sr1—O13i2.552 (4)As2—Sr4viii3.5090 (7)
Sr1—O3ii2.555 (4)As2—Sr1ii3.6159 (7)
Sr1—O2ii2.597 (4)As2—Sr2ii3.6547 (7)
Sr1—O7iii2.622 (4)As2—Sr2iv3.7874 (7)
Sr1—O4ii2.824 (4)As2—Sr4xiv3.8092 (7)
Sr1—As4ii3.4611 (7)As3—O111.636 (4)
Sr1—As33.6106 (6)As3—O51.666 (4)
Sr1—As2iii3.6159 (7)As3—O8iv1.679 (4)
Sr1—As1i3.6288 (7)As3—O4xiii1.778 (4)
Sr1—As1iii3.6500 (8)As3—Sr2iii3.4509 (7)
Sr2—O11iv2.507 (4)As3—Sr4iv3.5007 (7)
Sr2—O92.533 (4)As3—Sr3xii3.7318 (7)
Sr2—O12i2.573 (4)As3—Sr4ii3.7791 (7)
Sr2—O8v2.644 (4)As4—O1xv1.654 (4)
Sr2—O2vi2.710 (4)As4—O21.665 (4)
Sr2—O14i2.805 (4)As4—O3xvi1.666 (4)
Sr2—O13i2.807 (4)As4—O41.769 (4)
Sr2—O72.813 (4)As4—Sr4xvi3.4036 (7)
Sr2—O5ii3.013 (4)As4—Sr1iii3.4610 (7)
Sr2—As13.3796 (7)As4—Sr3xvii3.6580 (7)
Sr2—As3ii3.4509 (7)As4—Sr4xv3.7288 (7)
Sr2—As2iii3.6547 (7)As4—Sr3xviii3.7738 (7)
Sr3—O10ii2.458 (4)As4—Sr1xix3.7963 (7)
Sr3—O1vii2.469 (4)O1—As4xx1.654 (4)
Sr3—O142.473 (4)O1—Sr3xxi2.469 (4)
Sr3—O8vii2.484 (4)O2—Sr1iii2.597 (4)
Sr3—O13ii2.594 (4)O2—Sr2xxii2.710 (4)
Sr3—O3viii2.643 (4)O2—Sr4xvi2.974 (4)
Sr3—O7ii2.878 (4)O3—As4xiii1.666 (4)
Sr3—O123.223 (5)O3—Sr1iii2.555 (4)
Sr3—As1ii3.3422 (7)O3—Sr3xii2.643 (4)
Sr3—As23.4149 (7)O4—As3xvi1.778 (4)
Sr3—As4ix3.6580 (7)O4—Sr1iii2.824 (4)
Sr3—As3viii3.7317 (7)O5—Sr4ii2.618 (4)
Sr4—O12.519 (4)O5—Sr2iii3.013 (4)
Sr4—O10x2.554 (4)O6—Sr4viii2.883 (4)
Sr4—O12xi2.588 (4)O7—Sr1ii2.622 (4)
Sr4—O82.605 (4)O7—Sr3iii2.878 (4)
Sr4—O5iii2.618 (4)O8—As3i1.679 (4)
Sr4—O32.668 (4)O8—Sr3xxi2.484 (4)
Sr4—O6xii2.883 (4)O8—Sr2xxiii2.644 (4)
Sr4—O2xiii2.974 (4)O9—As2iii1.656 (4)
Sr4—O11i3.228 (5)O10—As2iii1.660 (4)
Sr4—As4xiii3.4036 (7)O10—Sr3iii2.458 (4)
Sr4—As3i3.5006 (7)O10—Sr4xxiv2.554 (4)
Sr4—As2xii3.5091 (7)O11—Sr2i2.507 (4)
As1—O14i1.644 (4)O11—Sr4iv3.228 (5)
As1—O71.663 (4)O12—Sr2iv2.573 (4)
As1—O131.672 (4)O12—Sr4xiv2.588 (4)
As1—O61.756 (4)O13—Sr1iv2.552 (4)
As1—Sr3iii3.3422 (7)O13—Sr3iii2.594 (4)
As1—Sr1iv3.6288 (7)O13—Sr2iv2.807 (4)
As1—Sr1ii3.6501 (8)O14—As1iv1.644 (4)
As2—O9ii1.656 (4)O14—Sr2iv2.805 (4)
As2—O10ii1.660 (4)
O9—Sr1—O5155.84 (13)O2xiii—Sr4—As4xiii29.29 (7)
O9—Sr1—O13i73.87 (12)O11i—Sr4—As4xiii83.33 (8)
O5—Sr1—O13i119.01 (13)O1—Sr4—As3i95.60 (9)
O9—Sr1—O3ii84.02 (12)O10x—Sr4—As3i108.37 (10)
O5—Sr1—O3ii79.99 (12)O12xi—Sr4—As3i92.48 (9)
O13i—Sr1—O3ii76.29 (12)O8—Sr4—As3i27.21 (8)
O9—Sr1—O2ii116.98 (12)O5iii—Sr4—As3i176.99 (8)
O5—Sr1—O2ii73.83 (12)O3—Sr4—As3i105.46 (8)
O13i—Sr1—O2ii125.55 (13)O6xii—Sr4—As3i76.63 (8)
O3ii—Sr1—O2ii151.94 (12)O2xiii—Sr4—As3i60.36 (7)
O9—Sr1—O7iii88.17 (12)O11i—Sr4—As3i27.77 (7)
O5—Sr1—O7iii73.88 (13)As4xiii—Sr4—As3i86.271 (16)
O13i—Sr1—O7iii158.20 (13)O1—Sr4—As2xii92.07 (9)
O3ii—Sr1—O7iii89.87 (12)O10x—Sr4—As2xii26.22 (8)
O2ii—Sr1—O7iii73.47 (13)O12xi—Sr4—As2xii173.16 (9)
O9—Sr1—O4ii72.18 (12)O8—Sr4—As2xii111.43 (9)
O5—Sr1—O4ii127.99 (11)O5iii—Sr4—As2xii84.85 (9)
O13i—Sr1—O4ii79.84 (12)O3—Sr4—As2xii88.69 (8)
O3ii—Sr1—O4ii150.11 (11)O6xii—Sr4—As2xii30.39 (7)
O2ii—Sr1—O4ii57.93 (10)O2xiii—Sr4—As2xii122.04 (8)
O7iii—Sr1—O4ii106.75 (11)O11i—Sr4—As2xii68.79 (8)
O9—Sr1—As4ii94.82 (9)As4xiii—Sr4—As2xii111.225 (17)
O5—Sr1—As4ii100.31 (9)As3i—Sr4—As2xii93.097 (17)
O13i—Sr1—As4ii105.86 (9)O14i—As1—O7111.7 (2)
O3ii—Sr1—As4ii177.20 (8)O14i—As1—O13114.7 (2)
O2ii—Sr1—As4ii27.46 (8)O7—As1—O13108.97 (19)
O7iii—Sr1—As4ii87.54 (9)O14i—As1—O6106.16 (19)
O4ii—Sr1—As4ii30.61 (7)O7—As1—O6106.7 (2)
O9—Sr1—As3178.33 (9)O13—As1—O6108.23 (18)
O5—Sr1—As324.46 (9)O14i—As1—Sr3iii135.60 (14)
O13i—Sr1—As3107.32 (8)O7—As1—Sr3iii59.43 (14)
O3ii—Sr1—As397.39 (8)O13—As1—Sr3iii49.64 (13)
O2ii—Sr1—As361.39 (8)O6—As1—Sr3iii118.15 (13)
O7iii—Sr1—As390.92 (9)O14i—As1—Sr255.72 (14)
O4ii—Sr1—As3106.77 (8)O7—As1—Sr256.06 (15)
As4ii—Sr1—As383.737 (15)O13—As1—Sr2128.58 (13)
O9—Sr1—As2iii23.60 (9)O6—As1—Sr2123.11 (13)
O5—Sr1—As2iii144.18 (9)Sr3iii—As1—Sr298.775 (17)
O13i—Sr1—As2iii95.02 (8)O14i—As1—Sr1iv77.91 (15)
O3ii—Sr1—As2iii99.15 (8)O7—As1—Sr1iv114.66 (14)
O2ii—Sr1—As2iii96.26 (8)O13—As1—Sr1iv38.85 (13)
O7iii—Sr1—As2iii70.30 (9)O6—As1—Sr1iv133.52 (14)
O4ii—Sr1—As2iii65.18 (8)Sr3iii—As1—Sr1iv70.007 (15)
As4ii—Sr1—As2iii78.954 (15)Sr2—As1—Sr1iv97.921 (16)
As3—Sr1—As2iii154.799 (19)O14i—As1—Sr1ii110.41 (15)
O9—Sr1—As1i93.63 (9)O7—As1—Sr1ii40.61 (14)
O5—Sr1—As1i104.86 (9)O13—As1—Sr1ii133.44 (14)
O13i—Sr1—As1i24.26 (8)O6—As1—Sr1ii68.19 (14)
O3ii—Sr1—As1i92.02 (8)Sr3iii—As1—Sr1ii89.525 (17)
O2ii—Sr1—As1i104.16 (9)Sr2—As1—Sr1ii70.709 (15)
O7iii—Sr1—As1i177.52 (10)Sr1iv—As1—Sr1ii155.19 (2)
O4ii—Sr1—As1i72.24 (8)O9ii—As2—O10ii115.3 (2)
As4ii—Sr1—As1i90.599 (16)O9ii—As2—O12115.6 (2)
As3—Sr1—As1i87.242 (16)O10ii—As2—O12110.6 (2)
As2iii—Sr1—As1i110.953 (16)O9ii—As2—O6106.33 (19)
O9—Sr1—As1iii74.19 (9)O10ii—As2—O697.71 (19)
O5—Sr1—As1iii93.54 (9)O12—As2—O6109.54 (19)
O13i—Sr1—As1iii147.16 (8)O9ii—As2—Sr3128.75 (13)
O3ii—Sr1—As1iii107.70 (8)O10ii—As2—Sr342.37 (14)
O2ii—Sr1—As1iii64.77 (9)O12—As2—Sr369.19 (16)
O7iii—Sr1—As1iii24.38 (8)O6—As2—Sr3120.18 (14)
O4ii—Sr1—As1iii83.36 (8)O9ii—As2—Sr4viii125.22 (14)
As4ii—Sr1—As1iii69.511 (15)O10ii—As2—Sr4viii42.80 (14)
As3—Sr1—As1iii104.464 (16)O12—As2—Sr4viii119.14 (15)
As2iii—Sr1—As1iii52.204 (13)O6—As2—Sr4viii54.98 (13)
As1i—Sr1—As1iii155.19 (2)Sr3—As2—Sr4viii73.384 (15)
O11iv—Sr2—O984.28 (14)O9ii—As2—Sr1ii37.32 (13)
O11iv—Sr2—O12i90.90 (14)O10ii—As2—Sr1ii121.84 (15)
O9—Sr2—O12i146.49 (13)O12—As2—Sr1ii127.42 (16)
O11iv—Sr2—O8v140.74 (13)O6—As2—Sr1ii69.06 (14)
O9—Sr2—O8v91.02 (12)Sr3—As2—Sr1ii159.46 (2)
O12i—Sr2—O8v72.09 (13)Sr4viii—As2—Sr1ii102.759 (16)
O11iv—Sr2—O2vi134.89 (12)O9ii—As2—Sr2ii36.86 (13)
O9—Sr2—O2vi134.38 (13)O10ii—As2—Sr2ii84.95 (15)
O12i—Sr2—O2vi68.61 (12)O12—As2—Sr2ii112.34 (15)
O8v—Sr2—O2vi72.11 (11)O6—As2—Sr2ii133.96 (13)
O11iv—Sr2—O14i65.91 (12)Sr3—As2—Sr2ii92.341 (16)
O9—Sr2—O14i124.71 (12)Sr4viii—As2—Sr2ii115.447 (18)
O12i—Sr2—O14i82.20 (13)Sr1ii—As2—Sr2ii70.779 (14)
O8v—Sr2—O14i141.14 (12)O9ii—As2—Sr2iv140.88 (14)
O2vi—Sr2—O14i71.58 (12)O10ii—As2—Sr2iv101.84 (16)
O11iv—Sr2—O13i75.47 (13)O12—As2—Sr2iv33.59 (15)
O9—Sr2—O13i69.23 (11)O6—As2—Sr2iv79.11 (13)
O12i—Sr2—O13i77.44 (12)Sr3—As2—Sr2iv72.528 (14)
O8v—Sr2—O13i66.52 (11)Sr4viii—As2—Sr2iv90.211 (16)
O2vi—Sr2—O13i132.64 (11)Sr1ii—As2—Sr2iv127.992 (17)
O14i—Sr2—O13i135.72 (11)Sr2ii—As2—Sr2iv145.57 (2)
O11iv—Sr2—O799.69 (14)O9ii—As2—Sr4xiv82.28 (14)
O9—Sr2—O784.60 (11)O10ii—As2—Sr4xiv130.55 (14)
O12i—Sr2—O7128.84 (12)O12—As2—Sr4xiv33.36 (15)
O8v—Sr2—O7118.68 (12)O6—As2—Sr4xiv122.36 (12)
O2vi—Sr2—O768.80 (12)Sr3—As2—Sr4xiv89.707 (16)
O14i—Sr2—O758.30 (11)Sr4viii—As2—Sr4xiv152.50 (2)
O13i—Sr2—O7153.66 (11)Sr1ii—As2—Sr4xiv100.390 (16)
O11iv—Sr2—O5ii150.45 (13)Sr2ii—As2—Sr4xiv86.127 (15)
O9—Sr2—O5ii70.10 (12)Sr2iv—As2—Sr4xiv63.658 (13)
O12i—Sr2—O5ii118.58 (12)O11—As3—O5118.0 (2)
O8v—Sr2—O5ii56.89 (11)O11—As3—O8iv110.1 (2)
O2vi—Sr2—O5ii65.15 (12)O5—As3—O8iv108.43 (19)
O14i—Sr2—O5ii116.99 (11)O11—As3—O4xiii106.86 (19)
O13i—Sr2—O5ii107.28 (10)O5—As3—O4xiii106.65 (18)
O7—Sr2—O5ii64.40 (11)O8iv—As3—O4xiii106.08 (17)
O11iv—Sr2—As181.11 (10)O11—As3—Sr2iii126.89 (15)
O9—Sr2—As1105.15 (8)O5—As3—Sr2iii60.81 (14)
O12i—Sr2—As1106.81 (10)O8iv—As3—Sr2iii48.13 (13)
O8v—Sr2—As1137.18 (8)O4xiii—As3—Sr2iii124.85 (12)
O2vi—Sr2—As168.28 (8)O11—As3—Sr4iv66.80 (17)
O14i—Sr2—As128.97 (8)O5—As3—Sr4iv119.24 (13)
O13i—Sr2—As1156.30 (8)O8iv—As3—Sr4iv45.18 (13)
O7—Sr2—As129.36 (8)O4xiii—As3—Sr4iv130.99 (13)
O5ii—Sr2—As191.35 (7)Sr2iii—As3—Sr4iv70.382 (15)
O11iv—Sr2—As3ii161.51 (9)O11—As3—Sr181.62 (15)
O9—Sr2—As3ii81.87 (9)O5—As3—Sr139.32 (14)
O12i—Sr2—As3ii93.90 (10)O8iv—As3—Sr1111.43 (13)
O8v—Sr2—As3ii28.22 (8)O4xiii—As3—Sr1135.74 (13)
O2vi—Sr2—As3ii63.13 (8)Sr2iii—As3—Sr170.419 (14)
O14i—Sr2—As3ii132.45 (8)Sr4iv—As3—Sr192.705 (15)
O13i—Sr2—As3ii88.16 (8)O11—As3—Sr3xii113.46 (17)
O7—Sr2—As3ii91.16 (8)O5—As3—Sr3xii125.02 (14)
O5ii—Sr2—As3ii28.88 (7)O8iv—As3—Sr3xii32.45 (12)
As1—Sr2—As3ii114.339 (17)O4xiii—As3—Sr3xii74.41 (13)
O11iv—Sr2—As2iii79.15 (11)Sr2iii—As3—Sr3xii73.859 (14)
O9—Sr2—As2iii23.09 (8)Sr4iv—As3—Sr3xii66.010 (14)
O12i—Sr2—As2iii165.61 (9)Sr1—As3—Sr3xii142.980 (19)
O8v—Sr2—As2iii109.34 (8)O11—As3—Sr4ii119.22 (17)
O2vi—Sr2—As2iii125.72 (9)O5—As3—Sr4ii35.87 (13)
O14i—Sr2—As2iii102.79 (8)O8iv—As3—Sr4ii128.93 (14)
O13i—Sr2—As2iii89.91 (8)O4xiii—As3—Sr4ii72.47 (13)
O7—Sr2—As2iii63.81 (8)Sr2iii—As3—Sr4ii89.553 (16)
O5ii—Sr2—As2iii71.50 (8)Sr4iv—As3—Sr4ii155.10 (2)
As1—Sr2—As2iii82.100 (15)Sr1—As3—Sr4ii66.002 (13)
As3ii—Sr2—As2iii92.506 (17)Sr3xii—As3—Sr4ii123.551 (17)
O10ii—Sr3—O1vii135.45 (13)O1xv—As4—O2117.59 (19)
O10ii—Sr3—O14105.58 (13)O1xv—As4—O3xvi113.31 (19)
O1vii—Sr3—O1479.88 (13)O2—As4—O3xvi108.41 (19)
O10ii—Sr3—O8vii144.63 (13)O1xv—As4—O4107.41 (18)
O1vii—Sr3—O8vii78.44 (12)O2—As4—O4100.09 (18)
O14—Sr3—O8vii87.88 (13)O3xvi—As4—O4108.97 (18)
O10ii—Sr3—O13ii87.30 (13)O1xv—As4—Sr4xvi121.83 (13)
O1vii—Sr3—O13ii103.23 (12)O2—As4—Sr4xvi60.90 (13)
O14—Sr3—O13ii158.47 (13)O3xvi—As4—Sr4xvi50.32 (13)
O8vii—Sr3—O13ii72.18 (12)O4—As4—Sr4xvi130.67 (13)
O10ii—Sr3—O3viii66.15 (12)O1xv—As4—Sr1iii122.48 (14)
O1vii—Sr3—O3viii158.40 (12)O2—As4—Sr1iii46.00 (14)
O14—Sr3—O3viii95.10 (13)O3xvi—As4—Sr1iii124.19 (13)
O8vii—Sr3—O3viii80.40 (12)O4—As4—Sr1iii54.37 (12)
O13ii—Sr3—O3viii74.08 (12)Sr4xvi—As4—Sr1iii97.122 (16)
O10ii—Sr3—O7ii73.13 (13)O1xv—As4—Sr3xvii34.11 (13)
O1vii—Sr3—O7ii75.77 (13)O2—As4—Sr3xvii89.22 (14)
O14—Sr3—O7ii140.63 (13)O3xvi—As4—Sr3xvii109.59 (13)
O8vii—Sr3—O7ii116.38 (12)O4—As4—Sr3xvii134.84 (13)
O13ii—Sr3—O7ii59.20 (11)Sr4xvi—As4—Sr3xvii92.470 (16)
O3viii—Sr3—O7ii118.18 (12)Sr1iii—As4—Sr3xvii116.588 (18)
O10ii—Sr3—O1255.50 (11)O1xv—As4—Sr4xv33.42 (13)
O1vii—Sr3—O1284.94 (11)O2—As4—Sr4xv124.04 (14)
O14—Sr3—O1275.56 (12)O3xvi—As4—Sr4xv126.42 (13)
O8vii—Sr3—O12158.38 (11)O4—As4—Sr4xv73.99 (13)
O13ii—Sr3—O12125.74 (11)Sr4xvi—As4—Sr4xv155.21 (2)
O3viii—Sr3—O12114.35 (11)Sr1iii—As4—Sr4xv101.419 (16)
O7ii—Sr3—O1271.92 (11)Sr3xvii—As4—Sr4xv64.541 (13)
O10ii—Sr3—As1ii80.01 (10)O1xv—As4—Sr3xviii135.30 (14)
O1vii—Sr3—As1ii88.50 (9)O2—As4—Sr3xviii105.79 (14)
O14—Sr3—As1ii167.75 (10)O3xvi—As4—Sr3xviii37.06 (13)
O8vii—Sr3—As1ii93.63 (9)O4—As4—Sr3xviii73.24 (13)
O13ii—Sr3—As1ii29.41 (8)Sr4xvi—As4—Sr3xviii70.193 (14)
O3viii—Sr3—As1ii97.14 (8)Sr1iii—As4—Sr3xviii94.890 (16)
O7ii—Sr3—As1ii29.83 (8)Sr3xvii—As4—Sr3xviii146.09 (2)
O12—Sr3—As1ii99.72 (7)Sr4xv—As4—Sr3xviii123.790 (16)
O10ii—Sr3—As227.08 (9)O1xv—As4—Sr1xix80.74 (14)
O1vii—Sr3—As2110.07 (8)O2—As4—Sr1xix127.56 (14)
O14—Sr3—As293.94 (9)O3xvi—As4—Sr1xix32.57 (13)
O8vii—Sr3—As2171.48 (9)O4—As4—Sr1xix121.76 (12)
O13ii—Sr3—As2104.64 (8)Sr4xvi—As4—Sr1xix67.769 (14)
O3viii—Sr3—As291.14 (8)Sr1iii—As4—Sr1xix156.76 (2)
O7ii—Sr3—As266.78 (8)Sr3xvii—As4—Sr1xix82.756 (15)
O12—Sr3—As228.80 (7)Sr4xv—As4—Sr1xix98.608 (16)
As1ii—Sr3—As286.359 (17)Sr3xviii—As4—Sr1xix63.894 (13)
O10ii—Sr3—As4ix116.55 (9)As4xx—O1—Sr3xxi123.83 (18)
O1vii—Sr3—As4ix22.06 (8)As4xx—O1—Sr4125.37 (19)
O14—Sr3—As4ix71.77 (10)Sr3xxi—O1—Sr4104.52 (13)
O8vii—Sr3—As4ix98.65 (9)As4—O2—Sr1iii106.54 (17)
O13ii—Sr3—As4ix118.28 (8)As4—O2—Sr2xxii142.5 (2)
O3viii—Sr3—As4ix166.86 (8)Sr1iii—O2—Sr2xxii100.24 (13)
O7ii—Sr3—As4ix74.11 (8)As4—O2—Sr4xvi89.82 (15)
O12—Sr3—As4ix63.25 (7)Sr1iii—O2—Sr4xvi134.85 (15)
As1ii—Sr3—As4ix95.994 (17)Sr2xxii—O2—Sr4xvi89.51 (10)
As2—Sr3—As4ix89.820 (16)As4xiii—O3—Sr1iii126.87 (19)
O10ii—Sr3—As3viii133.38 (9)As4xiii—O3—Sr3xii120.60 (19)
O1vii—Sr3—As3viii90.92 (9)Sr1iii—O3—Sr3xii100.82 (13)
O14—Sr3—As3viii73.01 (9)As4xiii—O3—Sr4100.96 (17)
O8vii—Sr3—As3viii21.27 (9)Sr1iii—O3—Sr4100.88 (12)
O13ii—Sr3—As3viii85.58 (8)Sr3xii—O3—Sr4102.36 (12)
O3viii—Sr3—As3viii67.59 (8)As4—O4—As3xvi126.8 (2)
O7ii—Sr3—As3viii137.00 (8)As4—O4—Sr1iii95.02 (14)
O12—Sr3—As3viii148.54 (7)As3xvi—O4—Sr1iii137.87 (18)
As1ii—Sr3—As3viii111.362 (17)As3—O5—Sr1116.2 (2)
As2—Sr3—As3viii153.25 (2)As3—O5—Sr4ii122.23 (19)
As4ix—Sr3—As3viii107.264 (16)Sr1—O5—Sr4ii102.39 (13)
O1—Sr4—O10x110.84 (12)As3—O5—Sr2iii90.31 (16)
O1—Sr4—O12xi83.45 (13)Sr1—O5—Sr2iii93.78 (12)
O10x—Sr4—O12xi152.75 (13)Sr4ii—O5—Sr2iii129.62 (15)
O1—Sr4—O875.33 (12)As1—O6—As2129.3 (2)
O10x—Sr4—O8132.54 (13)As1—O6—Sr4viii133.0 (2)
O12xi—Sr4—O872.49 (13)As2—O6—Sr4viii94.63 (15)
O1—Sr4—O5iii82.29 (12)As1—O7—Sr1ii115.01 (19)
O10x—Sr4—O5iii70.56 (14)As1—O7—Sr294.57 (18)
O12xi—Sr4—O5iii89.41 (13)Sr1ii—O7—Sr297.04 (13)
O8—Sr4—O5iii152.48 (13)As1—O7—Sr3iii90.74 (16)
O1—Sr4—O3158.86 (13)Sr1ii—O7—Sr3iii127.25 (16)
O10x—Sr4—O364.49 (11)Sr2—O7—Sr3iii127.44 (15)
O12xi—Sr4—O393.63 (12)As3i—O8—Sr3xxi126.29 (19)
O8—Sr4—O3123.82 (11)As3i—O8—Sr4107.61 (17)
O5iii—Sr4—O376.73 (11)Sr3xxi—O8—Sr4101.60 (13)
O1—Sr4—O6xii68.82 (11)As3i—O8—Sr2xxiii103.66 (17)
O10x—Sr4—O6xii56.58 (11)Sr3xxi—O8—Sr2xxiii114.81 (14)
O12xi—Sr4—O6xii148.69 (12)Sr4—O8—Sr2xxiii99.49 (12)
O8—Sr4—O6xii86.22 (11)As2iii—O9—Sr1119.1 (2)
O5iii—Sr4—O6xii100.56 (11)As2iii—O9—Sr2120.05 (18)
O3—Sr4—O6xii117.48 (11)Sr1—O9—Sr2113.29 (14)
O1—Sr4—O2xiii136.97 (11)As2iii—O10—Sr3iii110.6 (2)
O10x—Sr4—O2xiii110.59 (11)As2iii—O10—Sr4xxiv110.98 (18)
O12xi—Sr4—O2xiii64.36 (11)Sr3iii—O10—Sr4xxiv111.31 (15)
O8—Sr4—O2xiii68.43 (11)As3—O11—Sr2i142.2 (2)
O5iii—Sr4—O2xiii122.63 (11)As3—O11—Sr4iv85.43 (17)
O3—Sr4—O2xiii56.92 (10)Sr2i—O11—Sr4iv128.41 (16)
O6xii—Sr4—O2xiii128.82 (11)As2—O12—Sr2iv125.5 (2)
O1—Sr4—O11i108.85 (12)As2—O12—Sr4xiv126.0 (2)
O10x—Sr4—O11i80.77 (12)Sr2iv—O12—Sr4xiv101.82 (14)
O12xi—Sr4—O11i117.54 (11)As2—O12—Sr382.01 (16)
O8—Sr4—O11i54.27 (11)Sr2iv—O12—Sr394.25 (13)
O5iii—Sr4—O11i151.33 (12)Sr4xiv—O12—Sr3122.43 (15)
O3—Sr4—O11i91.11 (11)As1—O13—Sr1iv116.89 (19)
O6xii—Sr4—O11i61.93 (11)As1—O13—Sr3iii100.95 (16)
O2xiii—Sr4—O11i67.23 (11)Sr1iv—O13—Sr3iii102.21 (13)
O1—Sr4—As4xiii156.53 (9)As1—O13—Sr2iv124.42 (18)
O10x—Sr4—As4xiii90.53 (8)Sr1iv—O13—Sr2iv103.48 (12)
O12xi—Sr4—As4xiii73.09 (9)Sr3iii—O13—Sr2iv106.22 (13)
O8—Sr4—As4xiii97.70 (8)As1iv—O14—Sr3143.5 (2)
O5iii—Sr4—As4xiii96.52 (8)As1iv—O14—Sr2iv95.30 (18)
O3—Sr4—As4xiii28.72 (8)Sr3—O14—Sr2iv107.87 (14)
O6xii—Sr4—As4xiii133.87 (8)
  2 in total

1.  Crystal chemistry of transition metal diarsenates M2As2O7 (M = Mn, Co, Ni, Zn): variants of the thortveitite structure.

Authors:  Matthias Weil; Berthold Stöger
Journal:  Acta Crystallogr B       Date:  2010-11-17

2.  A short history of SHELX.

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

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