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Single crystal particles of Na2BaZr[SiO4]2 [systematic name: disodium barium zirconium bis­(orthosilicate)] and Na2BaHf[SiO4]2 [disodium barium hafnium bis­(orthosilicate)] were extracted from grain-grown polycrystals obtained by heating compacts of binary oxide mixtures at 1473 K. Single crystal X-ray diffraction analysis revealed that these are isostructural orthosilicates with a glaserite-type crystal structure, in which all sites of X, Y, M, and T in the general formula XY2[M(TO4)2] are fully occupied by atoms of different elements. The crystal structures of the title compounds were refined in space group P3 under consideration of a two-component twin model. The SiO4 tetra­hedra are rotated approximately ±10.2° from the mirror plane of space group P3m around an axis parallel to [001].

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• Creative Commons BY Attribution 4.0 International
  

Keyword: crystal structure, glaserite-type structure, orthosilicate, single-crystal X-ray diffraction, twin analysis

Date published: 2025-05-01

Publisher: International Union of Crystallography (IUCr)

Journal:

• Acta Crystallographica Section E Crystallographic Communications (ISSN: 20569890) vol. 81 issue. 5 p. 368-371

Funding:

• JST, the Core Research for Evolution Science and Technology JPMJCR19J2
• Innovative Science and Technology Initiative for Security JPJ004596

Manuscript type: Publisher's version (Version of record)

MDR DOI:

First published URL: https://doi.org/10.1107/s2056989025002956

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Updated at: 2026-01-05 13:14:40 +0900

Published on MDR: 2026-01-05 16:20:04 +0900