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Title: Materials Data on CaTe by Materials Project

Abstract

CaTe is Molybdenum Carbide MAX Phase-like structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ca2+ is bonded to six equivalent Te2- atoms to form a mixture of edge, corner, and face-sharing CaTe6 octahedra. The corner-sharing octahedra tilt angles range from 47–48°. There are a spread of Ca–Te bond distances ranging from 3.20–3.22 Å. Te2- is bonded to six equivalent Ca2+ atoms to form a mixture of distorted edge and corner-sharing TeCa6 pentagonal pyramids.

Publication Date:
Other Number(s):
mp-569170
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; CaTe; Ca-Te
OSTI Identifier:
1274966
DOI:
10.17188/1274966

Citation Formats

The Materials Project. Materials Data on CaTe by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1274966.
The Materials Project. Materials Data on CaTe by Materials Project. United States. doi:10.17188/1274966.
The Materials Project. 2020. "Materials Data on CaTe by Materials Project". United States. doi:10.17188/1274966. https://www.osti.gov/servlets/purl/1274966. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1274966,
title = {Materials Data on CaTe by Materials Project},
author = {The Materials Project},
abstractNote = {CaTe is Molybdenum Carbide MAX Phase-like structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ca2+ is bonded to six equivalent Te2- atoms to form a mixture of edge, corner, and face-sharing CaTe6 octahedra. The corner-sharing octahedra tilt angles range from 47–48°. There are a spread of Ca–Te bond distances ranging from 3.20–3.22 Å. Te2- is bonded to six equivalent Ca2+ atoms to form a mixture of distorted edge and corner-sharing TeCa6 pentagonal pyramids.},
doi = {10.17188/1274966},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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