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Crystal structure of larnite β-Ca2SiO4 and specific features of polymorphic transitions in dicalcium orthosilicate

  • Structure of Inorganic Compounds
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Abstract

The crystal structure of larnite, a natural analog of synthetic β-Ca2SiO4, has been determined: a = 5.5051(3) Å, b = 6.7551(3) Å, c = 9.3108(5) Å, β = 94.513(4)o, sp. gr. P21/n, Z = 4, and R 1 = 0.0532 for 1071 reflections with I > 2σ (I). Larnite was found in skarn xenoliths (Lakargi, Kabardino-Balkaria, Russia). The mineral structure is based on a heteropolyhedral glaserite-like framework of interconnected Ca polyhedra and isolated [SiO4] tetrahedra. Based on an analysis of the layer-by-layer packing of atoms in the structures of larnite and other Ca2SiO4 polymorphs, the structural features and mechanisms of transitions from high-temperature (α, α′ L , and α′ H ) to low-temperature (β and γ) Ca2SiO4 modifications, as well as their relationship with natural glaserite-like orthosilicates (merwinite Ca3Mg[SiO4]2 and bredigite Ca7Mg[SiO4]4), have been considered. The most likely atomic arrangement in hypothetical Ca2SiO4 models has been calculated by the method of atomistic potentials.

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Authors and Affiliations

  1. Moscow State University, Moscow, Russia

    N. A. Yamnova, N. V. Zubkova & N. N. Eremin

  2. OOO NPP Teplokhim, Moscow, Russia

    A. E. Zadov

  3. Institute of Geology of Ore Deposits, Petrography, Mineralogy, and Geochemistry, Russian Academy of Sciences, Moscow, 109017, Russia

    V. M. Gazeev

Authors
  1. N. A. Yamnova
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  2. N. V. Zubkova
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  3. N. N. Eremin
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  4. A. E. Zadov
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  5. V. M. Gazeev
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Correspondence to N. A. Yamnova.

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Original Russian Text © N.A. Yamnova, N.V. Zubkova, N.N. Eremin, A.E. Zadov, V.M. Gazeev, 2011, published in Kristallografiya, 2011, Vol. 56, No. 2, pp. 235–245.

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Yamnova, N.A., Zubkova, N.V., Eremin, N.N. et al. Crystal structure of larnite β-Ca2SiO4 and specific features of polymorphic transitions in dicalcium orthosilicate. Crystallogr. Rep. 56, 210–220 (2011). https://doi.org/10.1134/S1063774511020209

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  • DOI: https://doi.org/10.1134/S1063774511020209

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