Synthesis and structures of type-I clathrates: Rb6Na2Ge44.89(1), Cs6Na2Zn4Ge42 and Cs6.40(1)Na1.60(1)Ga8Ge38

被引：3
作者：
Zhang, Hui [1 ,2 ,3 ]
Mu, Gang [1 ,2 ,3 ]
Huang, Fuqiang [3 ,4 ]
Xie, Xiaoming [1 ,2 ,3 ]
机构：
[1] Chinese Acad Sci, State Key Lab Funct Mat Informat, Shanghai Inst Microsyst & Informat Technol, Shanghai 200050, Peoples R China
[2] Chinese Acad Sci, Shanghai Ctr Superconduct, Shanghai Inst Microsyst & Informat Technol, Shanghai 200050, Peoples R China
[3] CAS Ctr Excellence Superconducting Elect CENSE, Shanghai 200050, Peoples R China
[4] Chinese Acad Sci, Shanghai Inst Ceram, State Key Lab High Performance Ceram & Superfine, Shanghai 200050, Peoples R China
来源：
JOURNAL OF SOLID STATE CHEMISTRY | 2016年 / 242卷
关键词：
Clathrates; Structures; Theoretical calculations; HIGH-PRESSURE SYNTHESIS; P-TE SYSTEM; CRYSTAL-STRUCTURE; CATIONIC CLATHRATE; GERMANIUM CLATHRATE; PHYSICAL-PROPERTIES; THERMOELECTRIC PROPERTIES; THERMAL-CONDUCTIVITY; TRANSPORT-PROPERTIES; SOLID-SOLUTIONS;
D O I：
10.1016/j.jssc.2016.07.024
中图分类号：
O61 [无机化学];
学科分类号：
070301 ; 081704 ;
摘要：
Type-I clathrates of Rb6Na2Ge44.89(1), Cs6Na2Zn4Ge42 and Cs-6.40Na1.60(1)Ga8Ge38 were synthesized via solid-state reaction. Rb6Na2Ge44.89(1), Cs6Na2Zn4Ge42 and Cs-6.40Na1.60(1)Ga8Ge38 were found to crystalize in the cubic space group of Pm3n with lattice parameters of a =10.72755(5) angstrom, a =10.79501(8) angstrom and a=10.79726(5) A, respectively. Theoretical calculations indicated semiconducting features for the calculation models of Rb6Na2Ge44, Cs6Na2Zn4Ge42 and Cs6Na2Ga8Ge38 with band gaps of 0.002 eV, 0297 eV and 0.221 eV, respectively. (C) 2016 Elsevier Inc. All rights reserved.
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页码：155 / 161
页数：7
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