Na3B4O7X (X = Cl, Br): two new borate halides with a 1D Na-X (X = Cl, Br) chain formed by the face-sharing XNa6 octahedra
Bai, CY (Bai, Chunyan)1; Han, SJ (Han, Shujuan)1; Pan, SL (Pan, Shilie)1; Zhang, BB (Zhang, Bingbing)1; Yang, Y (Yang, Yun)1; Li, L (Li, Lin)1; Yang, ZH (Yang, Zhihua)1
2015
Source PublicationRSC ADVANCES
ISSN2046-2069
Volume5Issue:16Pages:12416-12422
Abstract

Two new sodium borate halides, namely, Na3B4O7X (X = Cl, Br), have been successfully synthesized through high-temperature solid state reactions. Single-crystal X-ray diffraction analysis reveals that both of them crystallize in the same space group P6(5)22 of the hexagonal system. In their crystal structures, the B4O9 groups link with each other by oxygen-sharing to form a three dimensional (3D) framework containing channels viewing along the [001] direction, in which the 1D helical [Na3X] chain formed by the face-sharing XNa6 octahedra resides. To the best of our knowledge, the 1D helical [Na3X] chain has not been found in other alkali metal borate halides. From another perspective, the two compounds can also be regarded as NaX salt inclusion borates. In addition, infrared (IR) spectroscopy and bond valence sum (BVS) calculations are used to verify the validity of the structures. Differential scanning calorimetry (DSC) and powder X-ray diffraction (XRD) results prove that both of them are incongruently melting compounds. The electronic structures have been calculated by the first-principle method based on density-functional theory.

DOI10.1039/c4ra16639f
Indexed BySCI
WOS IDWOS:000348985400093
Citation statistics
Cited Times:4[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.xjipc.cas.cn/handle/365002/4902
Collection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
Corresponding AuthorHan, SJ (Han, Shujuan)
Affiliation1.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
Recommended Citation
GB/T 7714
Bai, CY ,Han, SJ ,Pan, SL ,et al. Na3B4O7X (X = Cl, Br): two new borate halides with a 1D Na-X (X = Cl, Br) chain formed by the face-sharing XNa6 octahedra[J]. RSC ADVANCES,2015,5(16):12416-12422.
APA Bai, CY .,Han, SJ .,Pan, SL .,Zhang, BB .,Yang, Y .,...&Yang, ZH .(2015).Na3B4O7X (X = Cl, Br): two new borate halides with a 1D Na-X (X = Cl, Br) chain formed by the face-sharing XNa6 octahedra.RSC ADVANCES,5(16),12416-12422.
MLA Bai, CY ,et al."Na3B4O7X (X = Cl, Br): two new borate halides with a 1D Na-X (X = Cl, Br) chain formed by the face-sharing XNa6 octahedra".RSC ADVANCES 5.16(2015):12416-12422.
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