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Title: Materials Data on Ca(CeTe2)2 by Materials Project

Abstract

Ca(CeTe2)2 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Ca2+ is bonded to eight equivalent Te2- atoms to form distorted CaTe8 hexagonal bipyramids that share corners with eight equivalent CeTe8 hexagonal bipyramids, edges with four equivalent CaTe8 hexagonal bipyramids, and faces with eight equivalent CeTe8 hexagonal bipyramids. There are four shorter (3.20 Å) and four longer (3.45 Å) Ca–Te bond lengths. Ce3+ is bonded to eight equivalent Te2- atoms to form distorted CeTe8 hexagonal bipyramids that share corners with four equivalent CaTe8 hexagonal bipyramids, corners with four equivalent CeTe8 hexagonal bipyramids, edges with four equivalent CeTe8 hexagonal bipyramids, faces with four equivalent CaTe8 hexagonal bipyramids, and faces with four equivalent CeTe8 hexagonal bipyramids. There are a spread of Ce–Te bond distances ranging from 3.22–3.42 Å. Te2- is bonded in a 6-coordinate geometry to two equivalent Ca2+ and four equivalent Ce3+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-675740
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Ca(CeTe2)2; Ca-Ce-Te
OSTI Identifier:
1282817
DOI:
https://doi.org/10.17188/1282817

Citation Formats

The Materials Project. Materials Data on Ca(CeTe2)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1282817.
The Materials Project. Materials Data on Ca(CeTe2)2 by Materials Project. United States. doi:https://doi.org/10.17188/1282817
The Materials Project. 2020. "Materials Data on Ca(CeTe2)2 by Materials Project". United States. doi:https://doi.org/10.17188/1282817. https://www.osti.gov/servlets/purl/1282817. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1282817,
title = {Materials Data on Ca(CeTe2)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Ca(CeTe2)2 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Ca2+ is bonded to eight equivalent Te2- atoms to form distorted CaTe8 hexagonal bipyramids that share corners with eight equivalent CeTe8 hexagonal bipyramids, edges with four equivalent CaTe8 hexagonal bipyramids, and faces with eight equivalent CeTe8 hexagonal bipyramids. There are four shorter (3.20 Å) and four longer (3.45 Å) Ca–Te bond lengths. Ce3+ is bonded to eight equivalent Te2- atoms to form distorted CeTe8 hexagonal bipyramids that share corners with four equivalent CaTe8 hexagonal bipyramids, corners with four equivalent CeTe8 hexagonal bipyramids, edges with four equivalent CeTe8 hexagonal bipyramids, faces with four equivalent CaTe8 hexagonal bipyramids, and faces with four equivalent CeTe8 hexagonal bipyramids. There are a spread of Ce–Te bond distances ranging from 3.22–3.42 Å. Te2- is bonded in a 6-coordinate geometry to two equivalent Ca2+ and four equivalent Ce3+ atoms.},
doi = {10.17188/1282817},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}