Ba2ZnSc(BO3)3 and Ba4Zn5Sc2(BO3)8: first examples of borates in the Zn-Sc-B-O system featuring special structure configurations

被引：15
作者：
Chen, Yanna [1 ,2 ,3 ]
Zhang, Min [1 ,2 ]
Hu, Cong [1 ,2 ,3 ]
Yang, Zhihua [1 ,2 ]
Pan, Shilie [1 ,2 ]
机构：
[1] Chinese Acad Sci, Xinjiang Tech Inst Phys & Chem, CAS Key Lab Funct Mat & Devices Special Environm, 40-1 South Beijing Rd, Urumqi 830011, Peoples R China
[2] Xinjiang Key Lab Elect Informat Mat & Devices, 40-1 South Beijing Rd, Urumqi 830011, Peoples R China
[3] Univ Chinese Acad Sci, Beijing 100049, Peoples R China
来源：
INORGANIC CHEMISTRY FRONTIERS | 2018年 / 5卷 / 08期
基金：
中国国家自然科学基金; 对外科技合作项目（国际科技项目）; 中国科学院西部之光基金;
关键词：
NONLINEAR-OPTICAL MATERIAL; BOND-VALENCE PARAMETERS; 2ND-HARMONIC GENERATION; CRYSTAL-STRUCTURE; KBBF FAMILY; NONCENTROSYMMETRIC MATERIALS; ELECTRONIC-STRUCTURE; SPECTRUM PROPERTIES; PROMISING PHOSPHOR; THERMAL-EXPANSION;
D O I：
10.1039/c8qi00275d
中图分类号：
O61 [无机化学];
学科分类号：
070301 ; 081704 ;
摘要：
As the first reported examples of borates in the Zn-Sc-B-O system, Ba2ZnSc(BO3)(3) and Ba4Zn5Sc2(BO3)(8) were synthesized through a high-temperature solution method. The structure of Ba2ZnSc(BO3)(3) can be described as ZnO4 tetrahedra connecting ScO6 octahedra to form a [ZnScO9](13-) dimer, which further bonds with seven BO3 triangles to form a 2[ZnSc(BO3)(3)] layer, and the Ba atoms distribute in the voids between the layers. In contrast, in Ba4Zn5Sc2(BO3)(8), Zn-O chains composed of 4- and 6-coordinated Zn atoms link with Sc2O8 dimers to form a Zn-Sc-O layer, and the BO3 triangles and Ba atoms fill in the voids between the layers. Interestingly, the special [Zn-2(BO3)(6)](14-) cluster is found in Ba2ZnSc(BO3)(3), which is different from the 2D layers or 3D frameworks of the Zn-B-O configurations in other zincoborates. Moreover, the lowest-coordinated ScO5 polyhedra, as well as the coexistence of two types of ZnOn units (n = 4 and 6), are observed for the first time in Ba4Zn5Sc2(BO3)(8). These fascinating results can promote the design of novel borates with BO3 units and enrich the borate structure chemistry.
引用
收藏
页码：1787 / 1794
页数：9
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