Accurate structural study of langasite-family Ca{sub 3}TaGa{sub 3}Si{sub 2}O{sub 14} crystal
- Russian Academy of Sciences, Shubnikov Institute of Crystallography (Russian Federation)
An accurate X-ray diffraction study of Ca{sub 3}TaGa{sub 3}Si{sub 2}O{sub 14} single crystal has been performed using two datasets obtained on a diffractometer equipped with a CCD area detector (a = 8.1056(2) Å, c = 4.9800(1) Å, sp. gr. P321, Z = 1, R/wR = 0.486/0.488%). A model structure is determined which is characterized by a high degree of reproducibility of structural parameters. Each site in Ca{sub 3}TaGa{sub 3}Si{sub 2}O{sub 14} is occupied by atoms of only one type. Nevertheless, its structural feature is asymmetric disordering of sites of Ca, Ta, Ga, and two out of three oxygen atoms occupying special and general sites. A transition of some part of Ca atoms (~3%) from 3e sites on the twofold symmetry axis to general 6g sites is revealed.
- OSTI ID:
- 22645583
- Journal Information:
- Crystallography Reports, Vol. 61, Issue 2; Other Information: Copyright (c) 2016 Pleiades Publishing, Inc.; Country of input: International Atomic Energy Agency (IAEA); ISSN 1063-7745
- Country of Publication:
- United States
- Language:
- English
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