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

Abstract

BaCu2Te2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ba2+ is bonded in a 7-coordinate geometry to seven Te2- atoms. There are a spread of Ba–Te bond distances ranging from 3.43–3.62 Å. There are two inequivalent Cu1+ sites. In the first Cu1+ site, Cu1+ is bonded to four Te2- atoms to form a mixture of edge and corner-sharing CuTe4 tetrahedra. There are a spread of Cu–Te bond distances ranging from 2.66–2.72 Å. In the second Cu1+ site, Cu1+ is bonded to four Te2- atoms to form a mixture of edge and corner-sharing CuTe4 tetrahedra. There are a spread of Cu–Te bond distances ranging from 2.62–2.80 Å. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 7-coordinate geometry to three equivalent Ba2+ and four Cu1+ atoms. In the second Te2- site, Te2- is bonded in a 8-coordinate geometry to four equivalent Ba2+ and four Cu1+ atoms.

Publication Date:
Other Number(s):
mp-30133
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(CuTe)2; Ba-Cu-Te
OSTI Identifier:
1204553
DOI:
https://doi.org/10.17188/1204553

Citation Formats

The Materials Project. Materials Data on Ba(CuTe)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1204553.
The Materials Project. Materials Data on Ba(CuTe)2 by Materials Project. United States. doi:https://doi.org/10.17188/1204553
The Materials Project. 2020. "Materials Data on Ba(CuTe)2 by Materials Project". United States. doi:https://doi.org/10.17188/1204553. https://www.osti.gov/servlets/purl/1204553. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1204553,
title = {Materials Data on Ba(CuTe)2 by Materials Project},
author = {The Materials Project},
abstractNote = {BaCu2Te2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ba2+ is bonded in a 7-coordinate geometry to seven Te2- atoms. There are a spread of Ba–Te bond distances ranging from 3.43–3.62 Å. There are two inequivalent Cu1+ sites. In the first Cu1+ site, Cu1+ is bonded to four Te2- atoms to form a mixture of edge and corner-sharing CuTe4 tetrahedra. There are a spread of Cu–Te bond distances ranging from 2.66–2.72 Å. In the second Cu1+ site, Cu1+ is bonded to four Te2- atoms to form a mixture of edge and corner-sharing CuTe4 tetrahedra. There are a spread of Cu–Te bond distances ranging from 2.62–2.80 Å. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 7-coordinate geometry to three equivalent Ba2+ and four Cu1+ atoms. In the second Te2- site, Te2- is bonded in a 8-coordinate geometry to four equivalent Ba2+ and four Cu1+ atoms.},
doi = {10.17188/1204553},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}