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The structure of Sb2WO6 [Mr = 523.4, triclinic, F
, a = 11.132 (1), b = 9.896 (4), c = 18.482 (7) Å, α = 90.20 (4), β 96.87 (8), γ = 90.21 (5)°, Dx = 6.88 g cm−3, Z = 16, Mo Kα, λ = 0.7107 Å, μ = 338.5 cm−1, F(000) = 3536] has been refined as an enlarged 2a × 2b × 2c F-centred superstructure of the previously reported structure [Castro, Millan, Enjalbert, Snoeck & Galy (1994). Mat. Res. Bull. 29, 871–879] refined in the space group P1. The re-refinement follows the observation, initially by TEM, of satellite reflections at G± ½(111)*, where G represents a reflection of the P1 reciprocal lattice. A final value of 0.040 for R1 = Σh||Fobs(h)| − |Fcalc(h)||/Σh||Fobs(h)| was obtained for 3316 merged reflections with I(h) > 3σ[I(h)], compared with R1 = 0.12 for the previous refinement. The refined structure is described in terms of an antiferroelectric modulation of a P121/a1 underlying parent structure in the original setting. Twinning of the crystal was successfully modelled in the refinement. Synthesis of the previously unknown phase Sb2MoO6 [Mr = 435.5, triclinic, F, a = 10.758 (1), b = 9.673 (2), c = 17.57 (1) Å, α = 90.00 (5), β = 96.98 (3), γ = 90.05 (2)°, Z = 16, Dx = 4.97 g cm−3] is also reported, along with evidence for its isostructuralism with Sb2WO6.
, a = 11.132 (1), b = 9.896 (4), c = 18.482 (7) Å, α = 90.20 (4), β 96.87 (8), γ = 90.21 (5)°, Dx = 6.88 g cm−3, Z = 16, Mo Kα, λ = 0.7107 Å, μ = 338.5 cm−1, F(000) = 3536] has been refined as an enlarged 2a × 2b × 2c F-centred superstructure of the previously reported structure [Castro, Millan, Enjalbert, Snoeck & Galy (1994). Mat. Res. Bull. 29, 871–879] refined in the space group P1. The re-refinement follows the observation, initially by TEM, of satellite reflections at G± ½(111)*, where G represents a reflection of the P1 reciprocal lattice. A final value of 0.040 for R1 = Σh||Fobs(h)| − |Fcalc(h)||/Σh||Fobs(h)| was obtained for 3316 merged reflections with I(h) > 3σ[I(h)], compared with R1 = 0.12 for the previous refinement. The refined structure is described in terms of an antiferroelectric modulation of a P121/a1 underlying parent structure in the original setting. Twinning of the crystal was successfully modelled in the refinement. Synthesis of the previously unknown phase Sb2MoO6 [Mr = 435.5, triclinic, F, a = 10.758 (1), b = 9.673 (2), c = 17.57 (1) Å, α = 90.00 (5), β = 96.98 (3), γ = 90.05 (2)°, Z = 16, Dx = 4.97 g cm−3] is also reported, along with evidence for its isostructuralism with Sb2WO6.
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