RbMo2P3O14 with large birefringence mainly induced by highly distorted [MoO6] in uncommon [Mo2P3O14]∞ layers

The introduction of d0 transition metal Mo6+ cations into a phosphate generates a new acentric molybdophosphate, RbMo2P3O14. It shows uncommon [Mo2P3O14]∞ layers composed of isolated [MoO6] octahedra and [P3O10] groups. To the best of our acknowledge, it exhibits the largest birefringence (a calcula...

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Bibliographic Details
Published in:Dalton transactions : an international journal of inorganic chemistry 2021-12, Vol.50 (47), p.17559-17565
Main Authors: Zhang, Rui, Su, Xin, Zhang, Jie, Xiong, Mingyao, Huang, Yineng
Format: Article
Language:English
Subjects:
Birefringence
Crystal structure
Crystals
Electronic structure
First principles
Molybdates
Structural analysis
Transition metals
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Summary:The introduction of d0 transition metal Mo6+ cations into a phosphate generates a new acentric molybdophosphate, RbMo2P3O14. It shows uncommon [Mo2P3O14]∞ layers composed of isolated [MoO6] octahedra and [P3O10] groups. To the best of our acknowledge, it exhibits the largest birefringence (a calculated value of 0.166 at 546 nm) among reported molybdophosphates. In addition, it also possesses a shorter UV cut-off edge (about 250 nm) than other molybdates and molybdophosphates, indicating that it can be used as a birefringent crystal in the UV optical region. First-principles electronic structure analysis suggests that the large birefringence mainly originates from highly distorted [MoO6].
ISSN:1477-9226
1477-9234
DOI:10.1039/d1dt03285b