Premium
Synthesis, Crystal and Electronic Structure of La 2 SiP 4
Author(s) -
Akopov Georgiy,
Viswanathan Gayatri,
Kovnir Kirill
Publication year - 2021
Publication title -
zeitschrift für anorganische und allgemeine chemie
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.354
H-Index - 66
eISSN - 1521-3749
pISSN - 0044-2313
DOI - 10.1002/zaac.202000378
Subject(s) - crystallography , crystal structure , lanthanum , tetrahedron , band gap , semiconductor , crystal (programming language) , group (periodic table) , materials science , structure type , chemistry , stereochemistry , inorganic chemistry , optoelectronics , organic chemistry , computer science , programming language
La 2 SiP 4 ( mP ‐28, Z =4, Wyckoff sequence e 7 , space group P 2 1 / c (No. 14), a =10.8230(6) Å, b =7.5208(4) Å, c =7.9189(4) Å, and β =105.389(2)°) which crystallizes in the La 2 CuS 4 structure type is reported. Instead of isolated CuS 3 triangles bridged by disulfide anions, in the crystal structure of La 2 SiP 4 , one‐dimensional zig‐zag chains composed of SiP 4 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.