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Crystal chemistry of lithium; oxygen coordination and bonding

Marc Wenger and Thomas Armbruster
Crystal chemistry of lithium; oxygen coordination and bonding
European Journal of Mineralogy (April 1991) 3 (2): 387-399

Abstract

The oxygen coordination of Li is investigated on the basis of structural data retrieved from a data bank. Tetrahedral Li with <Li-O> = 1.96 A is the dominant coordination. Strong oxygen-oxygen edge distortions occur when Li tetrahedra share edges with other tetrahedra or octahedra. Octahedral Li with <Li-O> = 2.15 A is often strongly distorted with large variations of individual Li-O distances within the same polyhedron. Seven examples show five-fold coordinated Li. A simplified potential energy model is used to calculate energies for ideal LiO (sub n) (n = 3,4,6,8) polyhedra. Quadratic force constants are derived for Li-O stretching and Li displacement within an ideal tetrahedron and octahedron. These calculations predict that the Li vibration along the Li-O vector has a similar amplitude in Li0 (sub 4) tetrahedra as in LiO (sub 6) octahedra. Anisotropic displacement parameters for various LiO (sub 3) , LiO (sub 4) , LiO (sub 5) , and LiO (sub 6) polyhedra are extracted from the recent literature. Mean difference displacement parameters calculated along the Li-O vector show no dependence with the coordination number (n = 3,4,5,6) which agrees with the estimated force constants for out-of-centre Li displacements.


ISSN: 0935-1221
Serial Title: European Journal of Mineralogy
Serial Volume: 3
Serial Issue: 2
Title: Crystal chemistry of lithium; oxygen coordination and bonding
Affiliation: Univ. Bern, Lab. Chem. Mineral. Kristallogr., Bern, Switzerland
Pages: 387-399
Published: 199104
Text Language: English
Publisher: Schweizerbart'sche Verlagsbuchhandlung (Naegele u. Obermiller), Stuttgart, Federal Republic of Germany
References: 2 p.
Accession Number: 1994-002313
Categories: General mineralogy
Document Type: Serial
Bibliographic Level: Analytic
Illustration Description: illus. incl. 2 tables
Country of Publication: Germany
Secondary Affiliation: GeoRef, Copyright 2017, American Geosciences Institute. Reference includes data from Geoline, Bundesanstalt fur Geowissenschaften und Rohstoffe, Hanover, Germany
Update Code: 199402
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