Synthesis, crystal structure and properties of a new barium calcium borate, Ba2Ca2(B2O5)(2)
Liu, L (Liu, Lu)1; Zhang, FF (Zhang, Fangfang)1; Pan, SL (Pan, Shilie)1; Lei, C (Lei, Chen)1; Zhang, FY (Zhang, Fangyuan)1; Dong, XY (Dong, Xiaoyu)1; Wang, Z (Wang, Zheng)1; Yu, HW (Yu, Hongwei)1; Yang, ZH (Yang, Zhihua)1
2015
发表期刊SOLID STATE SCIENCES
ISSN1293-2558
卷号39期号:1页码:105-109
摘要

A new mixed alkaline earth metal borate, Ba2Ca2(B2O5)(2), has been synthesized by standard solid-state reaction method and the crystal structure has been determined by the single crystal X-ray diffraction method. It crystallizes in the monoclinic system, space group P2(1)/c (No. 14) with a = 6.568(2) angstrom, b = 20.545(7) angstrom, c = 8.201(2) angstrom, beta = 117.00(2)degrees, and Z = 4. The structure contains an infinite three-dimensional (3D) matrix that is built up of BaOn (n = 7, 9) polyhedra, CaO6 octahedra and isolated B2O5 groups. Specifically, the configuration and arrangement of the B2O5 groups are discussed comparing with those in other two alkaline earth metal borates, MgSrB2O5 and Mg3Ca3(B2O5)(3). Thermal stability measurements reveal that Ba2Ca2(B2O5)(2) melts incongruently at 1015 degrees C. Optical properties of Ba2Ca2(B2O5)(2) were investigated and the first-principle theoretical calculations were performed to understand the electronic structure.

关键词Ba2ca2(B2o5)(2) Crystal Structure Electronic Structure
DOI10.1016/j.solidstatesciences.2014.12.002
收录类别SCI
WOS记录号WOS:000348952700017
引用统计
被引频次:1[WOS]   [WOS记录]     [WOS相关记录]
文献类型期刊论文
条目标识符http://ir.xjipc.cas.cn/handle/365002/4888
专题中国科学院特殊环境功能材料与器件重点试验室
材料物理与化学研究室
通讯作者Zhang, FF (Zhang, Fangfang)
作者单位1.Xinjiang Tech Inst Phys & Chem CAS, Xinjiang Key Lab Elect Informat Mat & Devices, Key Lab Funct Mat & Devices Special Environm CAS, Urumqi 830011, Peoples R China
2.Univ Chinese Acad Sci, Beijing 100049, Peoples R China
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Liu, L ,Zhang, FF ,Pan, SL ,et al. Synthesis, crystal structure and properties of a new barium calcium borate, Ba2Ca2(B2O5)(2)[J]. SOLID STATE SCIENCES,2015,39(1):105-109.
APA Liu, L .,Zhang, FF .,Pan, SL .,Lei, C .,Zhang, FY .,...&Yang, ZH .(2015).Synthesis, crystal structure and properties of a new barium calcium borate, Ba2Ca2(B2O5)(2).SOLID STATE SCIENCES,39(1),105-109.
MLA Liu, L ,et al."Synthesis, crystal structure and properties of a new barium calcium borate, Ba2Ca2(B2O5)(2)".SOLID STATE SCIENCES 39.1(2015):105-109.
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