Quantum mechanical calculations of trans-vacant and cis-vacant polymorphism in dioctahedral 2:1 phyllosilicates

American Mineralogist

Volumn 90, Issue 11-12, 2005, Pages 1827-1834

  Sainz Díaz, C Ignacio ^a   Escamilla Roa, Elizabeth ^b   Hernández Laguna, Alfonso ^b  

^a UNIVERSITY OF GRANADA   (Spain)

^b CSIC   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

DENSITY FUNCTIONAL THEORY; NUMERICAL METHODS; POSITIVE IONS; QUANTUM CHEMISTRY; QUANTUM THEORY; SILICATES;

CATION DISTRIBUTIONS; CATION SUBSTITUTIONS; CRYSTALLOGRAPHIC PROPERTIES; DENSITY-FUNCTIONAL METHODS; GENERALIZED GRADIENT APPROXIMATIONS; QUANTUM-MECHANICAL CALCULATION; STRUCTURAL FEATURE; THEORETICAL APPROACH;

POLYMORPHISM;

PHYLLOSILICATE;

EID: 30644468977     PISSN: 0003004X     EISSN: None     Source Type: Journal    
DOI: 10.2138/am.2005.1819     Document Type: Article

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