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BaBOF3: a new aurivillius-like borate containing two types of F atoms
Dequan Jiang1, Ying Wang2, Hao Li1
1CAS Key Laboratory of Functional Materials and Devices for Special Environments, Xinjiang Technical Institute of Physics & Chemistry, CAS, Xinjiang Key Laboratory of Electronic Information Materials and Devices, 40-1 South Beijing Road, Urumqi 830011, China. wangying@ms.xjb.ac.cn slpan@ms.xjb.ac.cn and University of the Chinese Academy of Sciences, Beijing 100049, China.
Abstract:
Herein, a new fluorine-containing borate, BaBOF3, has been synthesized by a boric acid flux method. It possesses two types of F atoms, which are involved in the pseudo-Aurivillius type [Ba2F2]2+ layers and the unique infinite [BOF2]- chains. The first-principles calculations on the title compound were performed to elucidate the structure-property relationship.
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