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Description:

This study describes disordered structure in Cs2[Mo6Xi8Xa6] (X = Cl and Br), The obvious disorder in this system is explained by assuming insertion of water molecules into the crystalline lattice. This study also revealed the effect of water impurity on luminescence properties.
This dataset includes CIF format file for refined crystal structures.

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• In Copyright
  

  This document is the Accepted Manuscript version of a Published Work that appeared in final form in Inorganic Chemistry, copyright © 2025 American Chemical Society after peer review and technical editing by the publisher. To access the final edited and published work see https://doi.org/10.1021/acs.inorgchem.4c04648.

Keyword: molybdenum halide, metal cluster, disordered structure, DFT calculation, luminescence

Date published: 2025-02-03

Publisher: American Chemical Society (ACS)

Journal:

• Inorganic Chemistry (ISSN: 1520510X) vol. 64 issue. 4 p. 1909-1918

Funding:

• Ministry of Education, Culture, Sports, Science and Technology JPMXP1122683430
• Tokodai Institute for Element Strategy JPMXP0112101001

Manuscript type: Author's version (Accepted manuscript)

MDR DOI: https://doi.org/10.48505/nims.5399

First published URL: https://doi.org/10.1021/acs.inorgchem.4c04648

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Updated at: 2025-04-02 15:09:44 +0900

Published on MDR: 2026-01-06 08:19:13 +0900