Refined structure of afwillite from the northern Baikal region |
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| Authors: | R K Rastsvetaeva N V Chukanov A E Zadov |
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| Institution: | (1) Shubnikov Institute of Crystallography, Russian Academy of Sciences, Leninskiĭ pr. 59, Moscow, 119333, Russia;(2) Institute of Problems of Chemical Physics in Chernogolovka, Russian Academy of Sciences, Chernogolovka, Moscow oblast, 142432, Russia;(3) NPO Neokhim, Dmitrovskoe sh. 71, Moscow, 127238, Russia |
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| Abstract: | The crystal structure of the mineral afwillite Ca12(H2O)8]SiO4]4SiO2(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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