Literature DB >> 23794967

The low-symmetry lanthanum(III) oxotellurate(IV), La10Te12O39.

Peng Li Wang1, Yurij Mozharivskyj.   

Abstract

Single crystals of deca-lanthanum(III) dodeca-oxotellurate(IV), La10Te12O39, were obtained by reacting La2O3 and TeO2 in a CsCl flux. Its crystal structure can be viewed as a three-dimensional network of corner- and edge-sharing LaO8 polyhedra with Te(IV) atoms filling the inter-stitial sites. The Te(IV) atoms with their 5s (2) electron lone pairs distort the LaO8 polyhedra through variable Te-O bonds. Among the six unique Te sites, four of them define empty channels extending parallel to the a axis. The formation of these channels is a result of the stereochemically active electron lone pairs on the Te(IV) atoms. The atomic arrangement of the Te-O units can be understood on the basis of the valence shell electron pair repulsion (VSEPR) model. A certain degree of disorder is observed in the crystal structure. As a result, one of the five different La sites is split into two positions with an occupancy ratio of 0.875 (2):0.125 (2). Also, one of the oxygen sites is split into two positions in a 0.559 (13):0.441 (13) ratio, and one O site is half-occupied. Such disorder was observed in all measured La10Te12O39 crystals.

Entities:  

Year:  2013        PMID： 23794967      PMCID： PMC3684865          DOI： 10.1107/S1600536813012191

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


Related literature

For the structures of related rare-earth oxotellurates(IV), see: Castro et al. (1990 ▶); Weber et al. (2001 ▶); Meier et al. (2009 ▶). For synthetic details, see: Weber & Schleid (2000 ▶). For standard­ization of structural data, see: Gelato & Parthé (1987 ▶). For the VSEPR model, see: Gillespie (1970 ▶). For the bond-valence method, see: Brown (2009 ▶).

Experimental

Crystal data

La10Te12O39 M = 3544.30 Triclinic, a = 5.6856 (11) Å b = 12.621 (3) Å c = 14.402 (3) Å α = 95.53 (3)° β = 100.88 (3)° γ = 93.13 (3)° V = 1007.3 (3) Å3 Z = 1 Mo Kα radiation μ = 18.98 mm−1 T = 293 K 0.12 × 0.04 × 0.02 mm

Data collection

Stoe IPDSII diffractometer Absorption correction: numerical (X-SHAPE and X-RED32; Stoe, 2004 ▶) T min = 0.256, T max = 0.702 18743 measured reflections 8922 independent reflections 5110 reflections with I > 2σ(I) R int = 0.063

Refinement

R[F 2 > 2σ(F 2)] = 0.042 wR(F 2) = 0.064 S = 0.77 8922 reflections 289 parameters Δρmax = 3.71 e Å−3 Δρmin = −3.98 e Å−3 Data collection: X-AREA (Stoe, 2004 ▶); cell refinement: X-AREA; data reduction: X-RED32 (Stoe, 2004 ▶); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008 ▶); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008 ▶); molecular graphics: DIAMOND (Crystal Impact, 2008 ▶); software used to prepare material for publication: SHELXL97. Click here for additional data file. Crystal structure: contains datablock(s) global, I. DOI: 10.1107/S1600536813012191/wm2737sup1.cif Click here for additional data file. Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536813012191/wm2737Isup2.hkl Additional supplementary materials: crystallographic information; 3D view; checkCIF report
La10Te12O39Z = 1
Mr = 3544.30F(000) = 1506
Triclinic, P1Dx = 5.843 Mg m−3
Hall symbol: -P 1Mo Kα radiation, λ = 0.71073 Å
a = 5.6856 (11) ÅCell parameters from 18743 reflections
b = 12.621 (3) Åθ = 2.9–36.9°
c = 14.402 (3) ŵ = 18.98 mm−1
α = 95.53 (3)°T = 293 K
β = 100.88 (3)°Needle, colourless
γ = 93.13 (3)°0.12 × 0.04 × 0.02 mm
V = 1007.3 (3) Å3
Stoe IPDSII diffractometer8922 independent reflections
Radiation source: fine-focus sealed tube5110 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.063
ω–scanθmax = 36.3°, θmin = 2.9°
Absorption correction: numerical (X-SHAPE and X-RED32; Stoe, 2004)h = −9→6
Tmin = 0.256, Tmax = 0.702k = −21→20
18743 measured reflectionsl = −23→23
Refinement on F2Primary atom site location: structure-invariant direct methods
Least-squares matrix: fullSecondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.042w = 1/[σ2(Fo2) + (0.0122P)2] where P = (Fo2 + 2Fc2)/3
wR(F2) = 0.064(Δ/σ)max = 0.003
S = 0.77Δρmax = 3.71 e Å−3
8922 reflectionsΔρmin = −3.98 e Å−3
289 parametersExtinction correction: SHELXL97 (Sheldrick, 2008), Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4
0 restraintsExtinction coefficient: 0.00195 (3)
Experimental. A numerical absorption correction was based on the crystal shape that was originally derived from the optical face indexing but later optimized against equivalent reflections using Stoe X-SHAPE software (Stoe & Cie GmbH, 2004)
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)
La10.42088 (10)0.52484 (4)0.35191 (3)0.00809 (10)
La20.54271 (10)0.15044 (4)0.55453 (3)0.01179 (12)
La30.79356 (10)0.07556 (4)0.08168 (3)0.00813 (9)
La40.81948 (10)0.38287 (4)0.17100 (4)0.01151 (11)
La510.93544 (12)0.03921 (6)0.37049 (5)0.01013 (15)0.875 (2)
La520.9564 (9)0.0092 (4)0.3946 (4)0.01013 (15)0.125 (2)
Te10.03902 (11)0.34576 (4)0.44123 (4)0.01010 (11)
Te20.10966 (12)0.29104 (6)0.71241 (4)0.01761 (14)
Te30.22321 (11)0.24798 (5)0.00280 (4)0.00909 (11)
Te40.48089 (10)0.20819 (4)0.28804 (4)0.01029 (11)
Te50.33718 (14)0.55670 (7)0.09840 (5)0.02424 (16)
Te60.28887 (10)0.90925 (4)0.18953 (3)0.00793 (10)
O10.0464 (12)0.8560 (5)0.3423 (5)0.0228 (15)
O20.0751 (13)0.2551 (6)0.1077 (5)0.0248 (15)
O30.0812 (11)0.3836 (5)0.3226 (4)0.0165 (13)
O40.0853 (11)0.1040 (5)0.9697 (4)0.0157 (13)
O50.0957 (12)0.0194 (5)0.2117 (4)0.0157 (13)
O60.1285 (13)0.6544 (6)0.3738 (4)0.0217 (14)
O70.1599 (13)0.5237 (5)0.1880 (4)0.0202 (14)
O80.1863 (14)0.2177 (6)0.4339 (5)0.0243 (15)
O90.2484 (11)0.0094 (5)0.4996 (4)0.0153 (13)
O100.3008 (13)0.4396 (6)0.4992 (4)0.0238 (16)
O110.3612 (12)0.2841 (5)0.6470 (4)0.0193 (13)
O120.4366 (11)0.9645 (5)0.0960 (4)0.0166 (12)
O130.4386 (16)0.4258 (8)0.0647 (5)0.039 (2)
O140.4707 (11)0.0531 (5)0.7030 (4)0.0195 (14)
O150.5313 (11)0.2219 (5)0.0575 (5)0.0253 (16)
O160.5651 (11)0.3536 (5)0.2926 (4)0.0139 (12)
O170.6547 (11)0.1833 (5)0.4068 (4)0.0139 (12)
O180.7421 (12)0.1666 (6)0.2342 (4)0.0207 (13)
O1910.290 (2)0.4482 (9)0.7515 (8)0.0153 (18)0.559 (13)
O1920.382 (3)0.4438 (11)0.8010 (10)0.0153 (18)0.441 (13)
O200.916 (3)0.4450 (15)0.0126 (8)0.032 (4)0.50
U11U22U33U12U13U23
La10.0086 (2)0.0071 (2)0.00811 (18)0.00113 (17)0.00047 (17)0.00086 (15)
La20.0160 (3)0.0123 (2)0.0099 (2)0.0065 (2)0.0060 (2)0.00511 (16)
La30.0085 (2)0.00864 (19)0.00750 (17)0.00180 (17)0.00207 (15)0.00023 (14)
La40.0087 (2)0.0109 (2)0.0138 (2)0.00191 (17)−0.00131 (18)0.00210 (17)
La510.0097 (2)0.0098 (3)0.0121 (3)0.0027 (2)0.0034 (2)0.0037 (2)
La520.0097 (2)0.0098 (3)0.0121 (3)0.0027 (2)0.0034 (2)0.0037 (2)
Te10.0108 (2)0.0096 (2)0.0100 (2)−0.0011 (2)0.00199 (18)0.00261 (17)
Te20.0136 (3)0.0306 (4)0.0117 (2)0.0098 (3)0.0051 (2)0.0082 (2)
Te30.0073 (2)0.0111 (2)0.00840 (19)0.0012 (2)0.00017 (18)0.00111 (17)
Te40.0113 (2)0.0080 (2)0.0109 (2)−0.00019 (19)0.00045 (18)0.00099 (16)
Te50.0210 (4)0.0329 (4)0.0213 (3)0.0096 (3)0.0112 (3)−0.0031 (3)
Te60.0080 (2)0.0077 (2)0.00793 (19)0.00001 (18)0.00129 (18)0.00082 (16)
O10.015 (3)0.014 (3)0.037 (4)0.002 (2)−0.004 (3)0.008 (3)
O20.028 (4)0.023 (4)0.025 (3)−0.007 (3)0.019 (3)−0.011 (3)
O30.016 (3)0.019 (3)0.012 (2)−0.008 (2)−0.003 (2)0.008 (2)
O40.012 (3)0.014 (3)0.019 (3)−0.003 (2)0.002 (2)−0.007 (2)
O50.022 (3)0.017 (3)0.008 (2)0.010 (3)0.001 (2)0.001 (2)
O60.026 (4)0.026 (3)0.015 (3)0.014 (3)0.003 (3)0.004 (2)
O70.022 (3)0.020 (3)0.019 (3)0.005 (3)0.000 (3)0.006 (2)
O80.030 (4)0.022 (3)0.022 (3)0.013 (3)−0.001 (3)0.009 (2)
O90.011 (3)0.017 (3)0.017 (3)0.000 (2)−0.003 (2)0.007 (2)
O100.024 (3)0.023 (3)0.019 (3)−0.013 (3)−0.007 (3)0.008 (2)
O110.022 (3)0.013 (3)0.024 (3)0.001 (3)0.011 (3)−0.004 (2)
O120.011 (3)0.029 (3)0.012 (2)0.003 (3)0.004 (2)0.007 (2)
O130.038 (5)0.063 (6)0.014 (3)0.035 (4)−0.005 (3)0.001 (3)
O140.015 (3)0.029 (3)0.012 (2)−0.008 (3)−0.005 (2)0.008 (2)
O150.009 (3)0.014 (3)0.046 (4)0.003 (2)−0.011 (3)0.002 (3)
O160.014 (3)0.008 (2)0.020 (3)0.003 (2)0.001 (2)0.005 (2)
O170.019 (3)0.020 (3)0.006 (2)0.006 (2)0.006 (2)0.006 (2)
O180.022 (3)0.025 (3)0.015 (2)0.006 (3)0.005 (2)−0.005 (2)
O1910.018 (5)0.011 (4)0.021 (4)0.004 (4)0.012 (4)0.002 (3)
O1920.018 (5)0.011 (4)0.021 (4)0.004 (4)0.012 (4)0.002 (3)
O200.028 (8)0.066 (11)0.010 (5)0.026 (8)0.007 (5)0.020 (6)
La1—O10i2.400 (6)Te2—O1912.156 (11)
La1—O62.435 (7)Te2—O1922.488 (14)
La1—O191i2.448 (12)Te3—O151.841 (6)
La1—O162.485 (6)Te3—O21.861 (7)
La1—O32.502 (6)Te3—O4ix1.919 (6)
La1—O72.539 (6)Te3—O132.496 (10)
La1—O11i2.647 (6)Te4—O161.863 (6)
La1—O102.652 (7)Te4—O171.871 (5)
La1—O192i2.706 (15)Te4—O181.877 (7)
La2—O92.345 (6)Te5—O131.831 (9)
La2—O172.400 (6)Te5—O71.845 (7)
La2—O112.441 (6)Te5—O20vi1.936 (13)
La2—O9ii2.528 (7)Te5—O192i1.945 (15)
La2—O1i2.531 (6)Te6—O5x1.859 (7)
La2—O82.643 (6)Te6—O14i1.866 (5)
La2—O142.651 (6)Te6—O121.883 (6)
La2—O6i2.985 (7)O1—Te2viii2.032 (7)
La3—O152.447 (6)O1—La52xi2.131 (9)
La3—O182.454 (6)O1—La51xi2.446 (7)
La3—O12iii2.456 (6)O1—La2i2.531 (6)
La3—O5iv2.477 (6)O2—La4xii2.453 (8)
La3—O4ii2.489 (7)O2—La3xii2.655 (7)
La3—O4v2.557 (7)O3—La4xii2.398 (5)
La3—O12vi2.633 (5)O4—Te3xiii1.919 (6)
La3—O2iv2.655 (7)O4—La3ii2.489 (7)
La4—O3iv2.398 (5)O4—La3xiv2.557 (7)
La4—O2iv2.453 (8)O5—Te6iii1.859 (7)
La4—O191i2.476 (11)O5—La3xii2.477 (6)
La4—O162.513 (7)O5—La51xii2.612 (6)
La4—O7iv2.516 (7)O5—La52xii2.902 (8)
La4—O132.522 (7)O6—Te2viii1.866 (6)
La4—O192i2.556 (15)O6—La2i2.985 (7)
La4—O202.626 (13)O7—La4xii2.516 (7)
La4—O152.733 (6)O8—La51xii2.589 (7)
La4—O182.995 (7)O8—La52xii2.829 (9)
La51—O9iv2.393 (6)O9—La52xii2.023 (7)
La51—O9ii2.420 (7)O9—La52ii2.107 (9)
La51—O1vii2.446 (7)O9—La51xii2.393 (6)
La51—O14ii2.521 (6)O9—La51ii2.420 (7)
La51—O172.565 (7)O9—La2ii2.528 (7)
La51—O8iv2.589 (7)O10—La1i2.400 (6)
La51—O5iv2.612 (6)O11—La1i2.647 (6)
La51—O182.763 (7)O12—La3x2.456 (6)
La52—O9iv2.023 (7)O12—La3vi2.633 (5)
La52—O9ii2.107 (9)O14—Te6i1.866 (5)
La52—O1vii2.131 (9)O14—La51ii2.521 (6)
La52—O14ii2.604 (7)O14—La52ii2.604 (7)
La52—O8iv2.829 (9)O191—O1920.808 (16)
La52—O172.872 (8)O191—La1i2.448 (12)
La52—O5iv2.902 (8)O191—La4i2.476 (11)
Te1—O101.861 (6)O192—Te5i1.945 (15)
Te1—O81.864 (7)O192—La4i2.556 (15)
Te1—O31.872 (6)O192—La1i2.706 (15)
Te2—O111.857 (7)O20—O20xv1.75 (4)
Te2—O6viii1.866 (6)O20—Te5vi1.936 (13)
Te2—O1viii2.032 (7)
O10i—La1—O6100.8 (2)O9ii—La51—O5iv159.6 (2)
O10i—La1—O191i97.2 (3)O1vii—La51—O5iv71.5 (2)
O6—La1—O191i121.3 (3)O14ii—La51—O5iv94.0 (2)
O10i—La1—O1699.0 (2)O17—La51—O5iv122.32 (18)
O6—La1—O16156.5 (2)O8iv—La51—O5iv94.0 (2)
O191i—La1—O1668.0 (3)O9iv—La51—O18149.6 (2)
O10i—La1—O3123.0 (2)O9ii—La51—O18125.3 (2)
O6—La1—O387.4 (2)O1vii—La51—O18126.6 (2)
O191i—La1—O3126.1 (3)O14ii—La51—O1875.5 (2)
O16—La1—O371.2 (2)O17—La51—O1858.70 (18)
O10i—La1—O7168.4 (2)O8iv—La51—O1879.75 (19)
O6—La1—O775.5 (2)O5iv—La51—O1864.02 (19)
O191i—La1—O776.1 (3)O9iv—La52—O9ii86.2 (3)
O16—La1—O787.4 (2)O9iv—La52—O1vii86.6 (3)
O3—La1—O768.2 (2)O9ii—La52—O1vii108.8 (4)
O10i—La1—O11i73.2 (2)O9iv—La52—O14ii156.7 (4)
O6—La1—O11i73.3 (2)O9ii—La52—O14ii76.7 (3)
O191i—La1—O11i59.6 (3)O1vii—La52—O14ii84.1 (3)
O16—La1—O11i125.0 (2)O9iv—La52—O8iv71.1 (3)
O3—La1—O11i157.5 (2)O9ii—La52—O8iv106.8 (3)
O7—La1—O11i95.2 (2)O1vii—La52—O8iv136.2 (3)
O10i—La1—O1063.2 (3)O14ii—La52—O8iv128.9 (3)
O6—La1—O1086.3 (2)O9iv—La52—O17117.3 (3)
O191i—La1—O10149.8 (3)O9ii—La52—O1769.9 (3)
O16—La1—O1091.4 (2)O1vii—La52—O17155.5 (3)
O3—La1—O1061.16 (18)O14ii—La52—O1771.7 (2)
O7—La1—O10126.7 (2)O8iv—La52—O1762.9 (2)
O11i—La1—O10127.04 (19)O9iv—La52—O5iv110.9 (3)
O10i—La1—O192i113.7 (4)O9ii—La52—O5iv162.5 (3)
O6—La1—O192i111.4 (4)O1vii—La52—O5iv70.1 (3)
O191i—La1—O192i17.1 (4)O14ii—La52—O5iv85.8 (2)
O16—La1—O192i71.3 (3)O8iv—La52—O5iv83.1 (2)
O3—La1—O192i115.1 (3)O17—La52—O5iv103.5 (2)
O7—La1—O192i59.1 (4)O10—Te1—O8100.6 (3)
O11i—La1—O192i63.8 (3)O10—Te1—O389.4 (3)
O10—La1—O192i162.1 (4)O8—Te1—O396.2 (3)
O10i—La1—Te193.63 (16)O11—Te2—O6viii102.3 (3)
O9—La2—O1799.5 (2)O11—Te2—O1viii95.2 (3)
O9—La2—O11106.8 (2)O6viii—Te2—O1viii86.7 (3)
O17—La2—O11122.0 (2)O11—Te2—O19178.0 (4)
O9—La2—O9ii72.4 (3)O6viii—Te2—O19190.4 (4)
O17—La2—O9ii72.6 (2)O1viii—Te2—O191171.9 (4)
O11—La2—O9ii164.7 (2)O11—Te2—O19279.9 (4)
O9—La2—O1i128.0 (2)O6viii—Te2—O192108.0 (4)
O17—La2—O1i100.2 (2)O1viii—Te2—O192165.2 (4)
O11—La2—O1i102.3 (2)O191—Te2—O19218.3 (4)
O9ii—La2—O1i68.6 (2)O15—Te3—O2101.3 (3)
O9—La2—O870.7 (2)O15—Te3—O4ix99.7 (3)
O17—La2—O867.6 (2)O2—Te3—O4ix88.2 (3)
O11—La2—O873.9 (2)O15—Te3—O1373.6 (3)
O9ii—La2—O8118.8 (2)O2—Te3—O1389.1 (3)
O1i—La2—O8160.4 (2)O4ix—Te3—O13172.1 (2)
O9—La2—O1472.04 (19)O16—Te4—O1799.0 (3)
O17—La2—O14161.3 (2)O16—Te4—O1894.0 (3)
O11—La2—O1476.7 (2)O17—Te4—O1888.6 (3)
O9ii—La2—O1488.8 (2)O13—Te5—O7101.0 (4)
O1i—La2—O1474.1 (2)O13—Te5—O20vi95.8 (6)
O8—La2—O14122.3 (2)O7—Te5—O20vi100.5 (5)
O9—La2—O6i173.5 (2)O13—Te5—O192i80.4 (5)
O17—La2—O6i82.1 (2)O7—Te5—O192i86.2 (5)
O11—La2—O6i67.3 (2)O20vi—Te5—O192i172.9 (6)
O9ii—La2—O6i114.1 (2)O5x—Te6—O14i96.7 (3)
O1i—La2—O6i57.4 (2)O5x—Te6—O1299.5 (3)
O8—La2—O6i104.5 (2)O14i—Te6—O12100.2 (3)
O14—La2—O6i108.17 (17)Te2viii—O1—La52xi140.8 (4)
O15—La3—O1868.9 (2)Te2viii—O1—La51xi139.5 (3)
O15—La3—O12iii87.2 (2)La52xi—O1—La51xi11.06 (15)
O18—La3—O12iii83.6 (2)Te2viii—O1—La2i113.0 (3)
O15—La3—O5iv137.5 (2)La52xi—O1—La2i100.1 (3)
O18—La3—O5iv70.7 (2)La51xi—O1—La2i105.8 (2)
O12iii—La3—O5iv100.8 (2)Te3—O2—La4xii133.6 (4)
O15—La3—O4ii150.80 (19)Te3—O2—La3xii104.2 (3)
O18—La3—O4ii134.4 (2)La4xii—O2—La3xii101.3 (3)
O12iii—La3—O4ii80.0 (2)Te1—O3—La4xii134.1 (3)
O5iv—La3—O4ii71.1 (2)Te1—O3—La1107.3 (2)
O15—La3—O4v103.2 (2)La4xii—O3—La1113.3 (2)
O18—La3—O4v134.4 (2)Te3xiii—O4—La3ii139.3 (3)
O12iii—La3—O4v141.94 (19)Te3xiii—O4—La3xiv106.1 (3)
O5iv—La3—O4v95.7 (2)La3ii—O4—La3xiv106.7 (2)
O4ii—La3—O4v73.3 (2)Te6iii—O5—La3xii121.3 (3)
O15—La3—O12vi75.3 (2)Te6iii—O5—La51xii119.3 (3)
O18—La3—O12vi140.1 (2)La3xii—O5—La51xii109.6 (3)
O12iii—La3—O12vi77.4 (2)Te6iii—O5—La52xii109.8 (3)
O5iv—La3—O12vi147.1 (2)La3xii—O5—La52xii117.1 (3)
O4ii—La3—O12vi76.3 (2)La51xii—O5—La52xii9.51 (11)
O4v—La3—O12vi70.38 (19)Te2viii—O6—La1131.9 (3)
O15—La3—O2iv72.9 (2)Te2viii—O6—La2i101.1 (3)
O18—La3—O2iv74.6 (2)La1—O6—La2i100.1 (2)
O12iii—La3—O2iv154.5 (2)Te5—O7—La4xii128.2 (3)
O5iv—La3—O2iv84.6 (2)Te5—O7—La1112.1 (3)
O4ii—La3—O2iv124.9 (2)La4xii—O7—La1108.2 (2)
O4v—La3—O2iv60.6 (2)Te1—O8—La51xii120.8 (3)
O12vi—La3—O2iv111.4 (2)Te1—O8—La2129.5 (3)
O15—La3—Te3iv84.65 (18)La51xii—O8—La2100.7 (2)
O18—La3—Te3iv104.67 (17)Te1—O8—La52xii127.0 (4)
O12iii—La3—Te3iv165.27 (13)La51xii—O8—La52xii10.27 (10)
O5iv—La3—Te3iv93.53 (16)La2—O8—La52xii91.0 (2)
O4ii—La3—Te3iv101.55 (16)La52xii—O9—La52ii93.8 (3)
O4v—La3—Te3iv30.83 (13)La52xii—O9—La2126.6 (3)
O12vi—La3—Te3iv88.70 (14)La52ii—O9—La2108.6 (3)
O2iv—La3—Te3iv30.10 (14)La52xii—O9—La51xii10.31 (16)
O3iv—La4—O2iv87.2 (2)La52ii—O9—La51xii99.6 (3)
O3iv—La4—O191i81.8 (3)La2—O9—La51xii116.4 (3)
O2iv—La4—O191i158.2 (3)La52xii—O9—La51ii101.2 (3)
O3iv—La4—O1671.8 (2)La52ii—O9—La51ii11.21 (15)
O2iv—La4—O16126.8 (2)La2—O9—La51ii109.7 (2)
O191i—La4—O1667.2 (3)La51xii—O9—La51ii108.1 (3)
O3iv—La4—O7iv70.2 (2)La52xii—O9—La2ii103.2 (3)
O2iv—La4—O7iv88.0 (2)La52ii—O9—La2ii117.3 (3)
O191i—La4—O7iv70.6 (3)La2—O9—La2ii107.6 (3)
O16—La4—O7iv125.9 (2)La51xii—O9—La2ii107.5 (2)
O3iv—La4—O13153.1 (3)La51ii—O9—La2ii107.1 (2)
O2iv—La4—O13119.0 (2)Te1—O10—La1i139.7 (3)
O191i—La4—O1375.2 (3)Te1—O10—La1102.0 (2)
O16—La4—O1386.4 (3)La1i—O10—La1116.8 (3)
O7iv—La4—O13113.6 (3)Te2—O11—La2138.5 (3)
O3iv—La4—O192i100.2 (4)Te2—O11—La1i111.5 (3)
O2iv—La4—O192i159.8 (4)La2—O11—La1i110.0 (3)
O191i—La4—O192i18.4 (4)Te6—O12—La3x140.4 (3)
O16—La4—O192i73.4 (4)Te6—O12—La3vi117.0 (3)
O7iv—La4—O192i77.0 (4)La3x—O12—La3vi102.6 (2)
O13—La4—O192i57.4 (4)Te5—O13—Te3133.3 (4)
O3iv—La4—O20129.1 (4)Te5—O13—La4113.8 (4)
O2iv—La4—O2071.6 (4)Te3—O13—La4104.4 (3)
O191i—La4—O20101.1 (5)Te6i—O14—La51ii149.0 (3)
O16—La4—O20155.9 (3)Te6i—O14—La52ii157.7 (4)
O7iv—La4—O2063.5 (4)La51ii—O14—La52ii11.98 (12)
O13—La4—O2070.0 (4)Te6i—O14—La2112.9 (3)
O192i—La4—O2089.4 (5)La51ii—O14—La297.73 (17)
O3iv—La4—O15131.0 (2)La52ii—O14—La287.0 (2)
O2iv—La4—O1571.4 (2)Te3—O15—La3141.2 (3)
O191i—La4—O15129.5 (3)Te3—O15—La4119.0 (3)
O16—La4—O1586.3 (2)La3—O15—La499.34 (19)
O7iv—La4—O15147.7 (2)Te4—O16—La1137.7 (3)
O13—La4—O1560.4 (3)Te4—O16—La4109.3 (3)
O192i—La4—O15115.1 (4)La1—O16—La4110.7 (2)
O20—La4—O1585.9 (4)Te4—O17—La2133.5 (3)
O3iv—La4—O1873.59 (18)Te4—O17—La51105.0 (2)
O2iv—La4—O1868.6 (2)La2—O17—La51106.5 (2)
O191i—La4—O18125.1 (3)Te4—O17—La52112.6 (3)
O16—La4—O1858.79 (19)La2—O17—La5297.1 (2)
O7iv—La4—O18137.49 (19)La51—O17—La529.40 (11)
O13—La4—O18108.8 (3)Te4—O18—La3135.8 (3)
O192i—La4—O18131.5 (4)Te4—O18—La5197.8 (3)
O20—La4—O18132.5 (4)La3—O18—La51105.6 (2)
O15—La4—O1857.66 (18)Te4—O18—La492.0 (3)
O9iv—La51—O9ii71.9 (3)La3—O18—La492.5 (2)
La52—La51—O1vii49.1 (5)La51—O18—La4141.2 (2)
O9iv—La51—O1vii72.2 (2)O192—O191—Te2104.8 (14)
O9ii—La51—O1vii90.2 (2)O192—O191—La1i99.9 (15)
La52—La51—O14ii92.8 (5)Te2—O191—La1i108.9 (5)
O9iv—La51—O14ii134.6 (2)O192—O191—La4i86.4 (13)
O9ii—La51—O14ii73.25 (19)Te2—O191—La4i133.7 (6)
O1vii—La51—O14ii79.9 (2)La1i—O191—La4i113.2 (4)
La52—La51—O17119.8 (6)O191—O192—Te5i165.3 (18)
O9iv—La51—O17115.9 (2)O191—O192—Te256.9 (12)
O9ii—La51—O1771.7 (2)Te5i—O192—Te2129.3 (7)
O1vii—La51—O17155.0 (2)O191—O192—La4i75.2 (13)
O14ii—La51—O1778.4 (2)Te5i—O192—La4i108.3 (6)
La52—La51—O8iv111.1 (5)Te2—O192—La4i115.3 (6)
O9iv—La51—O8iv71.0 (2)O191—O192—La1i63.0 (14)
O9ii—La51—O8iv105.4 (2)Te5i—O192—La1i102.4 (6)
O1vii—La51—O8iv132.6 (2)Te2—O192—La1i92.3 (5)
O14ii—La51—O8iv147.3 (2)La4i—O192—La1i102.7 (5)
O17—La51—O8iv70.5 (2)O20xv—O20—Te5vi95.3 (9)
La52—La51—O5iv117.6 (5)O20xv—O20—La4133.2 (12)
O9iv—La51—O5iv109.5 (2)Te5vi—O20—La4120.3 (8)
  2 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.  Recent developments in the methods and applications of the bond valence model.

Authors:  Ian David Brown
Journal:  Chem Rev       Date:  2009-12       Impact factor: 60.622
  2 in total

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