Crystal structure of bismuth selenochloride, BiSeCl
Abstract
The crystal structure of BiSeCl has been determined with 667 independent reflections, using three-dimensional intensities. The cell constants, obtained by least-squares calculation from direct θ-value measurements on the diffractometer, are: a = 8.0787(8), b = 9.3046(6), c = 4.2182(4) Å with Z = 4 formula units per unit cell; the space group is Pnαm. The positional and vibrational parameters, with anisotropic temperature factors, were refined by full-matrix least-squares calculations to a final R = 0.032.
Each Bi atom is six-coordinated by three Se atoms at distances 2.727 – 2.855 Å and three Cl atoms at distances 2.899–3.186 Å. Two of the Se atoms and two Cl atoms form a parallelogram parallel to c, with the remaining atoms occupying the apices of the pyramids formed on either side of this parallelogram. The coordination polyhedron is linked to a symmetry-equivalent polyhedron by a common Se – Se edge. This characteristic double-polyhedron system is repeated along the c axis, thus forming an infinite double chain of composition {Bi2Se4Cl6}n. The chain is further linked to each of four similar chains by a common (Cl – Cl)n – row parallel to c. The structure constitutes a new type within the group of compounds of the general formula A[unk]B[unk]C[unk], with A = As, Sb, Bi; B = S, Se, Te; C = Cl, Br, I.
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- The crystal structure of β-Mg2PO4OH, a synthetic hydroxyl analogue of wagnerite
- Structural change of orthorhombic-I tridymite with temperature: A study based on second-order thermal-vibrational parameters
- High-order thermal-motion tensor analyses of tridymite
- The crystal structure of the room-temperature phase of AgTaO3
- The crystal structure of [(CH3)2N(CH2)2(CH2)2O]2NaAg3I6 · 2H2O*
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