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Title: One-dimensional lone electron pair micelles in the crystal structure of Pb{sub 5}(SiO{sub 4})(VO{sub 4}){sub 2}

The structure of Pb{sub 5}(SiO{sub 4})(VO{sub 4}){sub 2} (hexagonal, P6{sub 3}/m, a = 9.9865(11), c = 7.3599(12) A, V = 635.67(14) A{sup 3}, Z = 2) has been solved by direct methods and refined to R{sub 1} = 0.051 on the basis of 440 unique observed reflections with vertical bar F{sub o} vertical bar{>=}4{sigma}{sub F}. The compound belongs to the apatite structure type. The Pb coordination polyhedra are distorted due to the presence of stereoactive lone electron pairs {psi}. The structure contains channels running along the c axis and centered at (00z). The channels are most probably occupied by the lone electron pairs of the Pb{sup 2+} cations and thus represent lone electron pair micelles. The existence of such micelles in the structure may well be the reason for the electrogyratory effect and protonic conductivity observed in crystals of the title compound.
Authors:
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Publication Date:
OSTI Identifier:
20879943
Resource Type:
Journal Article
Resource Relation:
Journal Name: Materials Research Bulletin; Journal Volume: 39; Journal Issue: 11; Other Information: DOI: 10.1016/j.materresbull.2004.05.002; PII: S0025540804001461; Copyright (c) 2004 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; APATITES; CRYSTALS; ELECTRON PAIRS; HEXAGONAL LATTICES; INORGANIC COMPOUNDS; LEAD IONS; SILICATES; SILICON OXIDES; VANADATES; X-RAY DIFFRACTION