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Determination of the crystal structure of diopside (Ca0.8Fe0.2)(Mg0.8Fe0.2)Si2O6 from the Gazakh Trough (Azerbaijan)

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Abstract

The crystal structure of a clinopyroxene is determined by X-ray diffraction. The unit cell parameters are as follows: a = 9.732(7) Å, b = 8.896(6) Å, c = 5.280(4) Å, and β = 106.160(11)°; V = 439.1(5) Å3; space group C2/c; and Z = 4. The structure is determined by the direct method and refined in the anisotropic approximation by the full-matrix least-squares method (R[F 2 > 2σ(F 2)] = 0.027, wR(F 2) = 0.072). According to the results of the X-ray structure analysis, the crystal chemical formula of the compound is (Ca0.8Fe0.2)(Mg0.8Fe0.2)Si2O6. In the structure, columns of (Mg, Fe)-octahedra are connected on two sides with Si2O6 chains. The resulting structural units have the [(Mg,Fe)2(Si2O6)2]4− composition. These units form a heterogeneous framework, which is typical of all pyroxene structures. The [(Mg,Fe)2(Si2O6)2]2− composition of the framework corresponds to the ratio [(Mg,Fe) + Si]: O = 3: 6 (1: 2). The (Ca, Fe) atoms are located in the holes of the framework.

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Authors and Affiliations

  1. Baku State University, Zahad Halilov str. 23, Baku, AZ-1148, Azerbaijan

    A. F. Shirinova, M. I. Chiragov, S. E. Jafarov & M. R. Gasanli

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  1. A. F. Shirinova
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  2. M. I. Chiragov
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  3. S. E. Jafarov
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  4. M. R. Gasanli
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Correspondence to A. F. Shirinova.

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Original Russian Text © A.F. Shirinova, M.I. Chiragov, S.E. Jafarov, M.R. Gasanli, 2012, published in Kristallografiya, 2012, Vol. 57, No. 5, pp. 825–828.

On the 100th anniversary of the discovery of X-ray diffraction

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Shirinova, A.F., Chiragov, M.I., Jafarov, S.E. et al. Determination of the crystal structure of diopside (Ca0.8Fe0.2)(Mg0.8Fe0.2)Si2O6 from the Gazakh Trough (Azerbaijan). Crystallogr. Rep. 57, 742–745 (2012). https://doi.org/10.1134/S1063774512040128

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  • DOI: https://doi.org/10.1134/S1063774512040128

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