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Title: Materials Data on CsErZnTe3 by Materials Project

Abstract

CsErZnTe3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Cs1+ is bonded in a 8-coordinate geometry to eight Te2- atoms. There are a spread of Cs–Te bond distances ranging from 3.90–4.17 Å. Er3+ is bonded to six Te2- atoms to form ErTe6 octahedra that share corners with two equivalent ErTe6 octahedra, edges with two equivalent ErTe6 octahedra, and edges with four equivalent ZnTe4 tetrahedra. The corner-sharing octahedral tilt angles are 37°. All Er–Te bond lengths are 3.09 Å. Zn2+ is bonded to four Te2- atoms to form ZnTe4 tetrahedra that share corners with two equivalent ZnTe4 tetrahedra and edges with four equivalent ErTe6 octahedra. There are two shorter (2.66 Å) and two longer (2.77 Å) Zn–Te bond lengths. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 6-coordinate geometry to two equivalent Cs1+, two equivalent Er3+, and two equivalent Zn2+ atoms. In the second Te2- site, Te2- is bonded in a 6-coordinate geometry to three equivalent Cs1+, two equivalent Er3+, and one Zn2+ atom.

Publication Date:
Other Number(s):
mp-569107
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; CsErZnTe3; Cs-Er-Te-Zn
OSTI Identifier:
1274938
DOI:
10.17188/1274938

Citation Formats

The Materials Project. Materials Data on CsErZnTe3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1274938.
The Materials Project. Materials Data on CsErZnTe3 by Materials Project. United States. doi:10.17188/1274938.
The Materials Project. 2020. "Materials Data on CsErZnTe3 by Materials Project". United States. doi:10.17188/1274938. https://www.osti.gov/servlets/purl/1274938. Pub date:Fri Jul 17 00:00:00 EDT 2020
@article{osti_1274938,
title = {Materials Data on CsErZnTe3 by Materials Project},
author = {The Materials Project},
abstractNote = {CsErZnTe3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Cs1+ is bonded in a 8-coordinate geometry to eight Te2- atoms. There are a spread of Cs–Te bond distances ranging from 3.90–4.17 Å. Er3+ is bonded to six Te2- atoms to form ErTe6 octahedra that share corners with two equivalent ErTe6 octahedra, edges with two equivalent ErTe6 octahedra, and edges with four equivalent ZnTe4 tetrahedra. The corner-sharing octahedral tilt angles are 37°. All Er–Te bond lengths are 3.09 Å. Zn2+ is bonded to four Te2- atoms to form ZnTe4 tetrahedra that share corners with two equivalent ZnTe4 tetrahedra and edges with four equivalent ErTe6 octahedra. There are two shorter (2.66 Å) and two longer (2.77 Å) Zn–Te bond lengths. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 6-coordinate geometry to two equivalent Cs1+, two equivalent Er3+, and two equivalent Zn2+ atoms. In the second Te2- site, Te2- is bonded in a 6-coordinate geometry to three equivalent Cs1+, two equivalent Er3+, and one Zn2+ atom.},
doi = {10.17188/1274938},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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