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Title: 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}

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 atomsmore » are disordered around the two-fold axis. Three oxygen atom sites contain vacancies.« less
Authors:
 [1] ;  [2] ;  [3] ;  [4]
  1. Department of Chemical Engineering, Texas Materials Institute, University of Texas at Austin, 1 University Station C0400, Austin, TX 78712 (United States)
  2. Department of Chemistry, University of Texas at Austin, Austin, TX 78712 (United States)
  3. R. L. Harlow and Co. Inc. Silver Springs, MD 20906 (United States)
  4. Department of Chemical Engineering, Texas Materials Institute, University of Texas at Austin, 1 University Station C0400, Austin, TX 78712 (United States). E-mail: steinfink@che.utexas.edu
Publication Date:
OSTI Identifier:
20895253
Resource Type:
Journal Article
Resource Relation:
Journal Name: Materials Research Bulletin; Journal Volume: 41; Journal 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)
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; BISMUTH OXIDES; BOND LENGTHS; CHEMICAL PREPARATION; CRYSTAL GROWTH; LEAST SQUARE FIT; MONOCLINIC LATTICES; MONOCRYSTALS; PHOSPHATES; SPACE GROUPS; TRANSITION ELEMENTS; VACANCIES; X-RAY DIFFRACTION