Skip navigation
Skip navigation

A Monte Carlo study of short- and long-range order of tetrahedral cations in sapphirine and khmaralite

Christy, Andrew


The open-branched tetrahedral chain of sapphirine-group minerals contains tetrahedra with 1-3 bridging O atoms (Q1, Q2, and Q 3). The topology implies that short-range order (SRO) driven by bonding enthalpies forces some long-range order (LRO). This is an ideal system to investigate the interplay between SRO, LRO, and configurational entropy. Results are presented of Monte Carlo simulations of ordering patterns involving Be, Al, and Si on the branched chain. The "Loewenstein's Rule" enthalpy...[Show more]

CollectionsANU Research Publications
Date published: 2009
Type: Journal article
Source: American Mineralogist
DOI: 10.2138/am.2009.2956


File Description SizeFormat Image
01_Christy_A_Monte_Carlo_study_of_short-_2009.pdf5.74 MBAdobe PDF    Request a copy

Items in Open Research are protected by copyright, with all rights reserved, unless otherwise indicated.

Updated:  20 July 2017/ Responsible Officer:  University Librarian/ Page Contact:  Library Systems & Web Coordinator