Variants of the Bi{sub 6}TiP{sub 2}O{sub 16} structure: The preparation and crystal structure of the isomorph Bi{sub 6}(Mn{sub 0.6}Bi{sub 0.4})P{sub 2}O{sub 15}
- Department of Chemical Engineering, Texas Materials Institute, University of Texas at Austin, 1 University Station C0400, Austin, TX 78712 (United States)
- Department of Chemistry, University of Texas at Austin, Austin, TX 78712 (United States)
- R. L. Harlow and Co. Inc. Silver Springs, MD 20906 (United States)
Compounds with the composition Bi{sub 6}(Bi{sub 1-y}M {sub y})X{sub 2}O{sub 16-z}, M = transition metal or Pb, X = P, V, As, display pseudo-tetragonal crystal systems. They are, however, monoclinic with space group I2 and the heavy atom positions mimic the {delta}-Bi{sub 2}O{sub 3} structure. The title compound is monoclinic, a = 11.284(2) A, b = 5.4259(11) A, c = 11.112(2) A, {beta} = 96.25(3){sup o}, I2, Z = 2. Least-squares refinement of single-crystal X-ray diffraction data on F {sup 2} converged to R1 = 0.050, wR2 = 0.130. The crystal is twinned by two-fold rotation about [0 1 0] and each twin consists of its inverted component forming a racemate. The structure consists of chains of edge sharing (OBi{sub 4}) tetrahedra parallel to [1 0 -1]. The chains are bridged parallel to [1 0 1] by linked PO{sub 4} tetrahedra and (Mn/Bi)O{sub 6} octahedra parallel to [1 0 -1], into a three-dimensional structure. The lone-pair electrons of adjacent Bi atoms along the chain point in opposite directions along the b-axis. The Bi atoms are in distorted trigonal prismatic coordination that has one or two faces capped. The Bi-O bond lengths vary from 2.08(5) to 3.05(2) A. The Mn/Bi atoms are disordered around the two-fold axis. Three oxygen atom sites contain vacancies.
- OSTI ID:
- 20895253
- Journal Information:
- Materials Research Bulletin, Vol. 41, Issue 8; Other Information: DOI: 10.1016/j.materresbull.2006.01.023; PII: S0025-5408(06)00047-X; Copyright (c) 2006 Elsevier Science B.V., Amsterdam, The Netherlands, All rights reserved; Country of input: International Atomic Energy Agency (IAEA); ISSN 0025-5408
- Country of Publication:
- United States
- Language:
- English
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