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Hydro­thermally prepared La2(SeO3)3 contains a three-dimensional network of LaO10 polyhedra [dav(La-O) = 2.622 (3) Å] and SeO3 pyramids [dav(Se-O) = 1.691 (3) Å]. One of the SeO3 pyramids is in a general position and the other has crystallographic m symmetry. There are pseudo-channels in the [010] direction which are probably associated with the SeIV lone pairs.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S0108270100003164/br1284sup1.cif
Contains datablocks laseo, I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S0108270100003164/br1284Isup2.hkl
Contains datablock I

Computing details top

Data collection: SMART (Bruker, 1999); cell refinement: SMART; data reduction: SMART; program(s) used to refine structure: CRYSTALS (Watkin et al., 1997); molecular graphics: ORTEP-3 (Farrugia, 1997) and ATOMS (Shape Software, 1999); software used to prepare material for publication: CRYSTALS.

(I) top
Crystal data top
La2(SeO3)3Dx = 5.17 Mg m3
Mr = 658.70Melting point: not measured K
Orthorhombic, PbnmMo Kα radiation, λ = 0.71073 Å
a = 7.0725 (5) ÅCell parameters from 3360 reflections
b = 8.4187 (7) Åθ = 1–30°
c = 14.2273 (11) ŵ = 22.64 mm1
V = 847.1 (2) Å3T = 300 K
Z = 4Plate, colourless
F(000) = 1152.000.10 × 0.10 × 0.03 mm
Data collection top
Bruker SMART1000 CCD area detector
diffractometer
1271 independent reflections
Radiation source: fine-focus sealed tube1079 reflections with > 1.00σ(I)
Graphite monochromatorRint = 0.05
area detector scansθmax = 30.0°, θmin = 1.0°
Absorption correction: multi-scan
(SADABS; Bruker, 1999)
h = 99
Tmin = 0.060, Tmax = 0.424k = 1111
7762 measured reflectionsl = 1919
Refinement top
Refinement on FSecondary atom site location: difference Fourier map
Least-squares matrix: full Chebychev polynomial with 3 parameters (Carruthers & Watkin, 1979) 0.377 0.275 0.230
R[F2 > 2σ(F2)] = 0.026(Δ/σ)max = 0.00006
wR(F2) = 0.029Δρmax = 1.19 e Å3
S = 1.08Δρmin = 1.06 e Å3
1079 reflectionsExtinction correction: Larson, 1967
67 parametersExtinction coefficient: 1.8 (8)
Primary atom site location: structure-invariant direct methods
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/Ueq
La10.17967 (4)0.19781 (3)0.563817 (17)0.0082
Se10.17978 (6)0.45249 (5)0.37470 (3)0.0090
Se20.09153 (9)0.04481 (7)0.75000.0101
O10.5323 (5)0.1971 (4)0.5962 (3)0.0148
O20.0898 (5)0.3822 (4)0.5784 (3)0.0177
O30.1505 (5)0.0726 (4)0.5407 (2)0.0126
O40.2630 (5)0.4408 (4)0.6558 (2)0.0128
O50.0656 (9)0.1546 (6)0.75000.0198
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
La10.00824 (14)0.00632 (14)0.01014 (14)0.00013 (8)0.00040 (9)0.00031 (7)
Se10.0097 (2)0.00920 (19)0.0080 (2)0.00048 (16)0.00052 (14)0.00022 (14)
Se20.0112 (3)0.0095 (3)0.0096 (3)0.0010 (2)0.00000.0000
O10.0079 (15)0.0133 (14)0.0231 (17)0.0024 (12)0.0014 (14)0.0012 (12)
O20.0140 (17)0.0097 (15)0.0294 (19)0.0024 (12)0.0080 (14)0.0032 (14)
O30.0116 (15)0.0111 (15)0.0150 (14)0.0009 (11)0.0047 (13)0.0016 (12)
O40.0171 (16)0.0124 (15)0.0090 (13)0.0015 (12)0.0033 (13)0.0011 (12)
O50.026 (3)0.013 (2)0.021 (2)0.005 (2)0.00000.0000
Geometric parameters (Å, º) top
La1—O12.536 (4)La1—O4iv2.561 (3)
La1—O1i2.656 (4)La1—O52.7928 (19)
La1—O22.467 (4)Se1—O1i1.687 (3)
La1—O2ii2.684 (4)Se1—O2v1.669 (4)
La1—O32.583 (4)Se1—O3ii1.713 (3)
La1—O3iii2.727 (3)Se2—O4iv1.694 (3)
La1—O3ii2.718 (3)Se2—O4vi1.694 (3)
La1—O42.499 (3)Se2—O51.689 (5)
O1—La1—O1i122.8 (1)O2—La1—O577.22 (14)
O1—La1—O2138.25 (11)O2ii—La1—O5149.07 (14)
O1—La1—O2ii62.56 (12)O3—La1—O578.84 (14)
O1—La1—O3155.67 (11)O3iii—La1—O5112.74 (13)
O1—La1—O3iii99.87 (11)O3ii—La1—O466.4 (1)
O1—La1—O3ii70.52 (11)O3ii—La1—O4iv144.12 (11)
O1—La1—O471.03 (11)O4—La1—O4iv112.75 (11)
O1—La1—O4iv75.49 (11)O3ii—La1—O5137.65 (13)
O1—La1—O596.40 (14)O4—La1—O571.21 (13)
O1i—La1—O263.86 (12)O4iv—La1—O556.71 (13)
O1i—La1—O2ii71.07 (12)O1i—Se1—O2v106.79 (18)
O2—La1—O2ii133.67 (5)O1i—Se1—O3ii99.71 (17)
O1i—La1—O370.85 (11)O2v—Se1—O3ii95.11 (17)
O2—La1—O364.47 (11)O4iv—Se2—O4vi104.6 (2)
O2ii—La1—O3110.52 (11)O4iv—Se2—O597.88 (17)
O1i—La1—O3iii77.35 (11)O4vi—Se2—O597.88 (17)
O2—La1—O3iii120.85 (11)La1—O1—La1ii103.26 (13)
O2ii—La1—O3iii54.9 (1)La1—O1—Se1ii130.87 (18)
O3—La1—O3iii61.41 (13)La1ii—O1—Se1ii102.50 (16)
O1i—La1—O3ii57.8 (1)La1—O2—La1i104.36 (13)
O2—La1—O3ii86.57 (12)La1—O2—Se1v148.5 (2)
O2ii—La1—O3ii59.85 (11)La1i—O2—Se1v106.19 (16)
O3—La1—O3ii128.31 (9)La1—O3—La1iii118.59 (13)
O3iii—La1—O3ii109.20 (11)La1—O3—La1i100.31 (11)
O1i—La1—O4105.6 (1)La1iii—O3—La1i105.19 (12)
O2—La1—O467.85 (12)La1—O3—Se1i126.46 (17)
O2ii—La1—O4117.19 (11)La1iii—O3—Se1i103.14 (15)
O3—La1—O4127.87 (11)La1i—O3—Se1i99.35 (15)
O3iii—La1—O4170.69 (11)La1—O4—La1vii117.47 (12)
O1i—La1—O4iv141.4 (1)La1—O4—Se2vii128.03 (17)
O2—La1—O4iv127.66 (12)La1vii—O4—Se2vii104.33 (15)
O2ii—La1—O4iv94.42 (11)La1—O5—La1viii143.1 (2)
O3—La1—O4iv82.16 (11)La1—O5—Se295.63 (12)
O3iii—La1—O4iv65.5 (1)La1viii—O5—Se295.63 (12)
O1i—La1—O5138.00 (14)
Symmetry codes: (i) x1/2, y+1/2, z+1; (ii) x+1/2, y+1/2, z+1; (iii) x, y, z+1; (iv) x+1/2, y1/2, z; (v) x, y+1, z+1; (vi) x+1/2, y1/2, z+3/2; (vii) x+1/2, y+1/2, z; (viii) x, y, z+3/2.
 

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