Ba3B10O17Br2: a new barium borate halide with B–O layered structure?

Dalton Transactions Pub Date: 2018-10-31 DOI: 10.1039/C8DT04052D

Abstract

A new barium borate halide, Ba3B10O17Br2, has been obtained. A detailed structural comparison with other barium borate halides suggested that Ba3B10O17Br2 is the first barium borate halide with a B–O layered structure. First-principles theoretical studies were conducted to aid understanding of the electronic structure and optical properties.

Graphical abstract: Ba3B10O17Br2: a new barium borate halide with B–O layered structure
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