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Title: Materials Data on Ca(LaTe2)2 by Materials Project

Abstract

Ca(LaTe2)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 LaTe8 hexagonal bipyramids, edges with four equivalent CaTe8 hexagonal bipyramids, and faces with eight equivalent LaTe8 hexagonal bipyramids. There are four shorter (3.23 Å) and four longer (3.48 Å) Ca–Te bond lengths. La3+ is bonded to eight equivalent Te2- atoms to form distorted LaTe8 hexagonal bipyramids that share corners with four equivalent CaTe8 hexagonal bipyramids, corners with four equivalent LaTe8 hexagonal bipyramids, edges with four equivalent LaTe8 hexagonal bipyramids, faces with four equivalent CaTe8 hexagonal bipyramids, and faces with four equivalent LaTe8 hexagonal bipyramids. There are a spread of La–Te bond distances ranging from 3.25–3.47 Å. Te2- is bonded in a 6-coordinate geometry to two equivalent Ca2+ and four equivalent La3+ atoms.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-36031
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; Ca(LaTe2)2; Ca-La-Te
OSTI Identifier:
1207120
DOI:
10.17188/1207120

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Ca(LaTe2)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1207120.
Persson, Kristin, & Project, Materials. Materials Data on Ca(LaTe2)2 by Materials Project. United States. doi:10.17188/1207120.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Ca(LaTe2)2 by Materials Project". United States. doi:10.17188/1207120. https://www.osti.gov/servlets/purl/1207120. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1207120,
title = {Materials Data on Ca(LaTe2)2 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Ca(LaTe2)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 LaTe8 hexagonal bipyramids, edges with four equivalent CaTe8 hexagonal bipyramids, and faces with eight equivalent LaTe8 hexagonal bipyramids. There are four shorter (3.23 Å) and four longer (3.48 Å) Ca–Te bond lengths. La3+ is bonded to eight equivalent Te2- atoms to form distorted LaTe8 hexagonal bipyramids that share corners with four equivalent CaTe8 hexagonal bipyramids, corners with four equivalent LaTe8 hexagonal bipyramids, edges with four equivalent LaTe8 hexagonal bipyramids, faces with four equivalent CaTe8 hexagonal bipyramids, and faces with four equivalent LaTe8 hexagonal bipyramids. There are a spread of La–Te bond distances ranging from 3.25–3.47 Å. Te2- is bonded in a 6-coordinate geometry to two equivalent Ca2+ and four equivalent La3+ atoms.},
doi = {10.17188/1207120},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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