Tainiolite Structure Files Emproto et al

Description

Supplementary information for Emproto et al. (submitted to Economic Geology for consideration in the special volume on lithium). The data include structure files from density functional theory experiments investigating lithium and fluorine correlations in magnesium silicate clays. These use modified versions of the tainiolite structure given by Toraya et al. (1977). Format: The first number in the name is the octahedral sheet configuration number. Next is the anion stoichiometry. The last number is the permutation number for the anion arrangement. For example, "4_F2_OH2_2" has the Li-Mg configuration 4, a F:OH ratio of 1:1, and the F and OH are arranged in permutation #2.

Institutions

Categories

Funding

Licence