MM'B3O4F3 (M = K; M' = Na, K, Cs): Alkali-Metal Fluorooxoborates with ∞1[B3O4F3] Chains and Deep-Ultraviolet Cutoff Edges.
Inorg Chem
; 61(6): 2713-2718, 2022 Feb 14.
Article
in En
| MEDLINE
| ID: mdl-35107974
ABSTRACT
Three mixed-alkali-metal fluorooxoborates, KNaB3O4F3 (I), K2B3O4F3 (II), and KCsB3O4F3 (III), were acquired in a closed system. I-III are isomorphic and adopt orthorhombic structures [Pbcn (No. 60)] with wavy parallelly arranged pseudolayers composed of ∞1[B3O4F3] chains, which exhibit slight differences in the arrangement modes of the fundamental building blocks. First-principles calculations illustrate that they all have moderate birefringence and large band gaps on the order of 7.0 eV, suggesting deep-ultraviolet (DUV) cutoff edges. In order to investigate the main source of the optical properties, the electronic structure and anisotropy of the response electron distribution were analyzed. Experimental characterizations for I confirm the structure and DUV transparence ability.
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01-internacional
Database:
MEDLINE
Language:
En
Journal:
Inorg Chem
Year:
2022
Document type:
Article
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