Refined structure of afwillite from the northern Baikal region

被引：0
|
作者：
R. K. Rastsvetaeva
N. V. Chukanov
A. E. Zadov
机构：
[1] Russian Academy of Sciences,Shubnikov Institute of Crystallography
[2] Russian Academy of Sciences,Institute of Problems of Chemical Physics in Chernogolovka
[3] NPO Neokhim,undefined
来源：
Crystallography Reports | 2009年 / 54卷
关键词：
91.60.Ed;
D O I：
暂无
中图分类号：
学科分类号：
摘要：
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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页码：418 / 422
页数：4
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