Bond-length distributions for ions bonded to oxygen: results for the transition metals and quantification of the factors underlying bond-length variation in inorganic solids

Bond-length distributions are examined for 63 transition metal ions bonded to O 2− in 147 configurations, for 7522 coordination polyhedra and 41 488 bond distances, providing baseline statistical knowledge of bond lengths for transition metals bonded to O 2− . A priori bond valences are calculated f...

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Bibliographic Details
Published in:	IUCrJ Vol. 7; no. 4; pp. 581 - 629
Main Authors:	Gagné, Olivier Charles, Hawthorne, Frank Christopher
Format:	Journal Article
Language:	English
Published:	England International Union of Crystallography 01.07.2020
Subjects:	Analysis Asymmetry bond-length variation bond-topological effects Configurations Coordination Coordination numbers Crystal structure Crystallography Electronic properties Jahn-Teller effect Lead materials design Mathematical analysis Metal ions Optimization Polyhedra pseudo jahn–teller effect Rankings Topology Transition metal compounds Transition metal oxides vibronic mixing Canada United Kingdom materials design bond-length variation bond-topological effects vibronic mixing pseudo Jahn–Teller effect
ISSN:	2052-2525, 2052-2525
Online Access:	Get full text
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