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Title:
Refined structure of afwillite from the northern Baikal region
Authors:
Rastsvetaeva, R. K.; Chukanov, N. V.; Zadov, A. E.
Affiliation:
AA(Shubnikov Institute of Crystallography, Russian Academy of Sciences), AB(Institute of Problems of Chemical Physics in Chernogolovka, Russian Academy of Sciences), AC(NPO Neokhim)
Publication:
Crystallography Reports, Volume 54, Issue 3, pp.418-422
Publication Date:
05/2009
Origin:
SPRINGER
Keywords:
91.60.Ed
Abstract Copyright:
(c) 2009: Pleiades Publishing, Ltd.
DOI:
10.1134/S1063774509030080
Bibliographic Code:
2009CryRp..54..418R

Abstract

The crystal structure of the mineral afwillite [Ca12(H2O)8][SiO4]4[SiO2(OH)2]4 from the northern Baikal region was refined in a triclinic unit cell with the following parameters: a = 16.330(2) Å, b = 5.6389(6) Å, c = 11.685(1) Å, α = 90.08(1)°, β = 126.446(2)°, γ = 89.95(1)°, and sp. gr. P1. The triclinic unit cell is related to the monoclinic unit cell determined earlier (sp. gr. Cc, a = 16.278(1) Å, b = 5.6321(4) Å, c = 13.236(1) Å, and β = 134.898(3)°) by the transformation matrix [‑100/010/101]. The structural model was determined using the phase-correction procedure and refined anisotropically to R = 2.8% based on 3270 independent reflections with F > 3σ( F). The crystal-chemical formula of afwillite was revised. The characteristic features of the IR spectrum of afwillite were explained based on the structural data.
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