Synthesis, Crystal and Electronic Structure of La2SiP4

被引：12

作者：

Akopov, Georgiy ^{[1
,2
]}

Viswanathan, Gayatri ^{[1
,2
]}

Kovnir, Kirill ^{[1
,2
]}

机构：

[1] US DOE, Ames Lab, Ames, IA 50011 USA

[2] Iowa State Univ, Dept Chem, Ames, IA 50011 USA

来源：

ZEITSCHRIFT FUR ANORGANISCHE UND ALLGEMEINE CHEMIE | 2021年 / 647卷 / 2-3期

关键词：

lanthanum; silicon; phosphorus; crystal structure; chemical bonding; tetrahedra; chains; PHOSPHIDES; SPECTROSCOPY; COMPOUND; MEMBER; PHASE; SR; BA;

D O I：

10.1002/zaac.202000378

中图分类号：

O61 [无机化学];

学科分类号：

070301 ; 081704 ;

摘要：

La2SiP4 (mP-28, Z=4, Wyckoff sequence e(7), space group P2(1)/c (No. 14), a=10.8230(6) angstrom, b=7.5208(4) angstrom, c=7.9189(4) angstrom, and beta=105.389(2)degrees) which crystallizes in the La2CuS4 structure type is reported. Instead of isolated CuS3 triangles bridged by disulfide anions, in the crystal structure of La2SiP4, one-dimensional zig-zag chains composed of SiP4 tetrahedra connected by P-P bonds are present. Lanthanum cations fill the voids between the chains and are coordinated by either 9P or 8P+Si atoms. La2SiP4 is a narrow bandgap semiconductor with calculated and measured optical bandgaps of 0.35 eV and 0.85(1) eV, respectively.

引用

页码：91 / 97

页数：7

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