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Title: Materials Data on ErAgTe2 by Materials Project

Abstract

ErAgTe2 crystallizes in the tetragonal P-42_1m space group. The structure is three-dimensional. Er3+ is bonded to six equivalent Te2- atoms to form ErTe6 octahedra that share corners with eight equivalent ErTe6 octahedra, corners with four equivalent AgTe4 tetrahedra, edges with two equivalent ErTe6 octahedra, and edges with four equivalent AgTe4 tetrahedra. The corner-sharing octahedra tilt angles range from 41–57°. There are a spread of Er–Te bond distances ranging from 3.03–3.16 Å. Ag1+ is bonded to four equivalent Te2- atoms to form AgTe4 tetrahedra that share corners with four equivalent ErTe6 octahedra, corners with four equivalent AgTe4 tetrahedra, and edges with four equivalent ErTe6 octahedra. The corner-sharing octahedral tilt angles are 62°. All Ag–Te bond lengths are 2.90 Å. Te2- is bonded in a 5-coordinate geometry to three equivalent Er3+ and two equivalent Ag1+ atoms.

Publication Date:
Other Number(s):
mp-12902
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; ErAgTe2; Ag-Er-Te
OSTI Identifier:
1189256
DOI:
https://doi.org/10.17188/1189256

Citation Formats

The Materials Project. Materials Data on ErAgTe2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1189256.
The Materials Project. Materials Data on ErAgTe2 by Materials Project. United States. doi:https://doi.org/10.17188/1189256
The Materials Project. 2020. "Materials Data on ErAgTe2 by Materials Project". United States. doi:https://doi.org/10.17188/1189256. https://www.osti.gov/servlets/purl/1189256. Pub date:Fri Jul 17 00:00:00 EDT 2020
@article{osti_1189256,
title = {Materials Data on ErAgTe2 by Materials Project},
author = {The Materials Project},
abstractNote = {ErAgTe2 crystallizes in the tetragonal P-42_1m space group. The structure is three-dimensional. Er3+ is bonded to six equivalent Te2- atoms to form ErTe6 octahedra that share corners with eight equivalent ErTe6 octahedra, corners with four equivalent AgTe4 tetrahedra, edges with two equivalent ErTe6 octahedra, and edges with four equivalent AgTe4 tetrahedra. The corner-sharing octahedra tilt angles range from 41–57°. There are a spread of Er–Te bond distances ranging from 3.03–3.16 Å. Ag1+ is bonded to four equivalent Te2- atoms to form AgTe4 tetrahedra that share corners with four equivalent ErTe6 octahedra, corners with four equivalent AgTe4 tetrahedra, and edges with four equivalent ErTe6 octahedra. The corner-sharing octahedral tilt angles are 62°. All Ag–Te bond lengths are 2.90 Å. Te2- is bonded in a 5-coordinate geometry to three equivalent Er3+ and two equivalent Ag1+ atoms.},
doi = {10.17188/1189256},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}