Synthesis, crystal structure and properties of a new barium calcium borate, Ba2Ca2(B2O5)(2)
文献类型：期刊论文
| 作者 | 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
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| 刊名 | SOLID STATE SCIENCES
 |
| 出版日期 | 2015 |
| 卷号 | 39期号:1页码:105-109 |
| 关键词 | Ba2Ca2(B2O5)(2) Crystal structure Electronic structure |
| 通讯作者 | Zhang, FF |
| 英文摘要 | 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. |
| 收录类别 | SCI |
| WOS记录号 | WOS:000348952700017 |
| 源URL | [http://ir.xjipc.cas.cn/handle/365002/4888]  |
| 专题 | 新疆理化技术研究所_中国科学院特殊环境功能材料与器件重点试验室 新疆理化技术研究所_材料物理与化学研究室 |
| 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 |
| 推荐引用方式 GB/T 7714 | 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. |
入库方式： OAI收割
来源：新疆理化技术研究所
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