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Crystal structure of RbCdVO4 from X-ray laboratory powder diffraction

Published online by Cambridge University Press:  17 July 2025

Gwilherm Nénert
Gwilherm Nénert*
Affiliation:
Malvern Panalytical B.V., Lelyweg 1, 7602 EA Almelo, The Netherlands
*
Corresponding author: Gwilherm Nénert; Email: gwilherm.nenert@malvernpanalytical.com
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Abstract

Data mining for materials science and structure prediction is growing rapidly. Such an approach relies a lot on the available published and unpublished crystal structure. In this contribution, we are using the experimental pattern reported in the PDF entry 00-058-0728 for the experimental data used to solve the previously unreported crystal structure of RbCdVO4. Contrary to the reported literature, the title compound crystallizes in the monoclinic system P21 with Z = 4. The lattice parameters are a = 12.53678(16) Å, b = 5.82451(7) Å, c = 12.47733(17) Å, β = 105.6169(10)°, and V = 877.47(2) Å3. Its crystal structure type is new and quite complex as it exhibits 28 atoms in the asymmetric unit.

Keywords

structure determinationvanadatepyroelectricitynon-linear optical materials

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Type
Technical Article
Information
Powder Diffraction , Volume 40 , Issue 3 , September 2025 , pp. 179 - 182
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Copyright
© The Author(s), 2025. Published by Cambridge University Press on behalf of International Centre for Diffraction Data

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