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Title: Materials Data on Ba(InTe2)2 by Materials Project

Abstract

Ba(InTe2)2 crystallizes in the orthorhombic Cccm space group. The structure is three-dimensional. Ba2+ is bonded in a 8-coordinate geometry to eight Te2- atoms. There are four shorter (3.64 Å) and four longer (3.69 Å) Ba–Te bond lengths. In3+ is bonded to four Te2- atoms to form edge-sharing InTe4 tetrahedra. There are a spread of In–Te bond distances ranging from 2.83–2.87 Å. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 4-coordinate geometry to two equivalent Ba2+ and two equivalent In3+ atoms. In the second Te2- site, Te2- is bonded to two equivalent Ba2+ and two equivalent In3+ atoms to form a mixture of distorted edge and corner-sharing TeBa2In2 trigonal pyramids.

Publication Date:
Other Number(s):
mp-21183
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; Ba(InTe2)2; Ba-In-Te
OSTI Identifier:
1196461
DOI:
https://doi.org/10.17188/1196461

Citation Formats

The Materials Project. Materials Data on Ba(InTe2)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1196461.
The Materials Project. Materials Data on Ba(InTe2)2 by Materials Project. United States. doi:https://doi.org/10.17188/1196461
The Materials Project. 2020. "Materials Data on Ba(InTe2)2 by Materials Project". United States. doi:https://doi.org/10.17188/1196461. https://www.osti.gov/servlets/purl/1196461. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1196461,
title = {Materials Data on Ba(InTe2)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Ba(InTe2)2 crystallizes in the orthorhombic Cccm space group. The structure is three-dimensional. Ba2+ is bonded in a 8-coordinate geometry to eight Te2- atoms. There are four shorter (3.64 Å) and four longer (3.69 Å) Ba–Te bond lengths. In3+ is bonded to four Te2- atoms to form edge-sharing InTe4 tetrahedra. There are a spread of In–Te bond distances ranging from 2.83–2.87 Å. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 4-coordinate geometry to two equivalent Ba2+ and two equivalent In3+ atoms. In the second Te2- site, Te2- is bonded to two equivalent Ba2+ and two equivalent In3+ atoms to form a mixture of distorted edge and corner-sharing TeBa2In2 trigonal pyramids.},
doi = {10.17188/1196461},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}