Mr = 250.1, orthorhombic, Pnma, a = 9.113 (2), b = 5.536 (1), c = 7.340 (2) Å, V = 370.3 (1) Å3, Z = 4, Dx = 4.46 g cm-3, MoK-alpha, lambda = 0.71069 A, mu = 123.09 cm-1, F(000) = 442.02, T = 293K, R = 0.053 for 541 unique reflections. Hashemite is isostructural with baryte, with Cr substituting for S in the tetrahedral site. The refined site occupancy is 84% Cr and 16% S. The average T-O bond length is 1.657 A and the average O-T-O bond angle is 109.4°. The mean Ba-O distance is 2.966 A. Ba is twelve-coordinated. O(1) and O(2), which lie on an (010) mirror plane, have large U22 thermal parameters.
Structure of hashemite, Ba(Cr,S)O4
PASERO, MARCO;
1987-01-01
Abstract
Mr = 250.1, orthorhombic, Pnma, a = 9.113 (2), b = 5.536 (1), c = 7.340 (2) Å, V = 370.3 (1) Å3, Z = 4, Dx = 4.46 g cm-3, MoK-alpha, lambda = 0.71069 A, mu = 123.09 cm-1, F(000) = 442.02, T = 293K, R = 0.053 for 541 unique reflections. Hashemite is isostructural with baryte, with Cr substituting for S in the tetrahedral site. The refined site occupancy is 84% Cr and 16% S. The average T-O bond length is 1.657 A and the average O-T-O bond angle is 109.4°. The mean Ba-O distance is 2.966 A. Ba is twelve-coordinated. O(1) and O(2), which lie on an (010) mirror plane, have large U22 thermal parameters.File in questo prodotto:
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