skip to main content
DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on CsErCdTe3 by Materials Project

Abstract

CsErCdTe3 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 3.95–4.17 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 CdTe4 tetrahedra. The corner-sharing octahedral tilt angles are 42°. There are four shorter (3.11 Å) and two longer (3.17 Å) Er–Te bond lengths. Cd2+ is bonded to four Te2- atoms to form CdTe4 tetrahedra that share corners with two equivalent CdTe4 tetrahedra and edges with four equivalent ErTe6 octahedra. There are two shorter (2.81 Å) and two longer (2.88 Å) Cd–Te bond lengths. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 6-coordinate geometry to three equivalent Cs1+, two equivalent Er3+, and one Cd2+ atom. In the second Te2- site, Te2- is bonded in a 6-coordinate geometry to two equivalent Cs1+, two equivalent Er3+, and two equivalent Cd2+ atoms.

Publication Date:
Other Number(s):
mp-12488
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; CsErCdTe3; Cd-Cs-Er-Te
OSTI Identifier:
1188853
DOI:
https://doi.org/10.17188/1188853

Citation Formats

The Materials Project. Materials Data on CsErCdTe3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1188853.
The Materials Project. Materials Data on CsErCdTe3 by Materials Project. United States. doi:https://doi.org/10.17188/1188853
The Materials Project. 2020. "Materials Data on CsErCdTe3 by Materials Project". United States. doi:https://doi.org/10.17188/1188853. https://www.osti.gov/servlets/purl/1188853. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1188853,
title = {Materials Data on CsErCdTe3 by Materials Project},
author = {The Materials Project},
abstractNote = {CsErCdTe3 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 3.95–4.17 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 CdTe4 tetrahedra. The corner-sharing octahedral tilt angles are 42°. There are four shorter (3.11 Å) and two longer (3.17 Å) Er–Te bond lengths. Cd2+ is bonded to four Te2- atoms to form CdTe4 tetrahedra that share corners with two equivalent CdTe4 tetrahedra and edges with four equivalent ErTe6 octahedra. There are two shorter (2.81 Å) and two longer (2.88 Å) Cd–Te bond lengths. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 6-coordinate geometry to three equivalent Cs1+, two equivalent Er3+, and one Cd2+ atom. In the second Te2- site, Te2- is bonded in a 6-coordinate geometry to two equivalent Cs1+, two equivalent Er3+, and two equivalent Cd2+ atoms.},
doi = {10.17188/1188853},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}