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Title: Materials Data on Ce10Se19 by Materials Project

Abstract

Ce10Se19 crystallizes in the tetragonal P4_2/n space group. The structure is three-dimensional. there are three inequivalent Ce+3.80+ sites. In the first Ce+3.80+ site, Ce+3.80+ is bonded in a 9-coordinate geometry to nine Se2- atoms. There are a spread of Ce–Se bond distances ranging from 3.04–3.13 Å. In the second Ce+3.80+ site, Ce+3.80+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Ce–Se bond distances ranging from 3.01–3.09 Å. In the third Ce+3.80+ site, Ce+3.80+ is bonded in a 9-coordinate geometry to nine Se2- atoms. There are a spread of Ce–Se bond distances ranging from 3.04–3.18 Å. There are six inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to five Ce+3.80+ atoms to form a mixture of distorted edge and corner-sharing SeCe5 trigonal bipyramids. In the second Se2- site, Se2- is bonded in a 4-coordinate geometry to four equivalent Ce+3.80+ atoms. In the third Se2- site, Se2- is bonded in a 4-coordinate geometry to four Ce+3.80+ atoms. In the fourth Se2- site, Se2- is bonded to five Ce+3.80+ atoms to form a mixture of distorted edge and corner-sharing SeCe5 trigonal bipyramids. In the fifth Se2- site, Se2- is bonded in a 4-coordinatemore » geometry to four Ce+3.80+ atoms. In the sixth Se2- site, Se2- is bonded to five Ce+3.80+ atoms to form a mixture of distorted edge and corner-sharing SeCe5 trigonal bipyramids.« less

Publication Date:
Other Number(s):
mp-652044
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; Ce10Se19; Ce-Se
OSTI Identifier:
1281120
DOI:
10.17188/1281120

Citation Formats

The Materials Project. Materials Data on Ce10Se19 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1281120.
The Materials Project. Materials Data on Ce10Se19 by Materials Project. United States. doi:10.17188/1281120.
The Materials Project. 2020. "Materials Data on Ce10Se19 by Materials Project". United States. doi:10.17188/1281120. https://www.osti.gov/servlets/purl/1281120. Pub date:Fri May 01 00:00:00 EDT 2020
@article{osti_1281120,
title = {Materials Data on Ce10Se19 by Materials Project},
author = {The Materials Project},
abstractNote = {Ce10Se19 crystallizes in the tetragonal P4_2/n space group. The structure is three-dimensional. there are three inequivalent Ce+3.80+ sites. In the first Ce+3.80+ site, Ce+3.80+ is bonded in a 9-coordinate geometry to nine Se2- atoms. There are a spread of Ce–Se bond distances ranging from 3.04–3.13 Å. In the second Ce+3.80+ site, Ce+3.80+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Ce–Se bond distances ranging from 3.01–3.09 Å. In the third Ce+3.80+ site, Ce+3.80+ is bonded in a 9-coordinate geometry to nine Se2- atoms. There are a spread of Ce–Se bond distances ranging from 3.04–3.18 Å. There are six inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to five Ce+3.80+ atoms to form a mixture of distorted edge and corner-sharing SeCe5 trigonal bipyramids. In the second Se2- site, Se2- is bonded in a 4-coordinate geometry to four equivalent Ce+3.80+ atoms. In the third Se2- site, Se2- is bonded in a 4-coordinate geometry to four Ce+3.80+ atoms. In the fourth Se2- site, Se2- is bonded to five Ce+3.80+ atoms to form a mixture of distorted edge and corner-sharing SeCe5 trigonal bipyramids. In the fifth Se2- site, Se2- is bonded in a 4-coordinate geometry to four Ce+3.80+ atoms. In the sixth Se2- site, Se2- is bonded to five Ce+3.80+ atoms to form a mixture of distorted edge and corner-sharing SeCe5 trigonal bipyramids.},
doi = {10.17188/1281120},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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