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Title: Materials Data on CeMgSi2 by Materials Project

Abstract

CeMgSi2 crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Mg is bonded in a distorted square co-planar geometry to four Si atoms. There are two shorter (2.75 Å) and two longer (2.76 Å) Mg–Si bond lengths. Ce is bonded in a 10-coordinate geometry to ten Si atoms. There are a spread of Ce–Si bond distances ranging from 3.09–3.20 Å. There are eight inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to four equivalent Mg, four equivalent Ce, and one Si atom. All Si–Ce bond lengths are 3.16 Å. The Si–Si bond length is 2.31 Å. In the second Si site, Si is bonded in a 9-coordinate geometry to four equivalent Mg, four equivalent Ce, and one Si atom. The Si–Si bond length is 2.31 Å. In the third Si site, Si is bonded in a 9-coordinate geometry to four equivalent Mg, four equivalent Ce, and one Si atom. There are two shorter (2.75 Å) and two longer (2.76 Å) Si–Mg bond lengths. All Si–Ce bond lengths are 3.16 Å. The Si–Si bond length is 2.31 Å. In the fourth Si site, Si is bonded in a 9-coordinate geometry to sixmore » equivalent Ce and three Si atoms. There are two shorter (3.09 Å) and four longer (3.20 Å) Si–Ce bond lengths. Both Si–Si bond lengths are 2.35 Å. In the fifth Si site, Si is bonded in a 9-coordinate geometry to six equivalent Ce and three Si atoms. Both Si–Si bond lengths are 2.35 Å. In the sixth Si site, Si is bonded in a 9-coordinate geometry to six equivalent Ce and three Si atoms. The Si–Si bond length is 2.31 Å. In the seventh Si site, Si is bonded in a 9-coordinate geometry to four equivalent Mg, four equivalent Ce, and one Si atom. There are two shorter (2.75 Å) and two longer (2.76 Å) Si–Mg bond lengths. All Si–Ce bond lengths are 3.16 Å. The Si–Si bond length is 2.31 Å. In the eighth Si site, Si is bonded in a 9-coordinate geometry to six equivalent Ce and three Si atoms. There are two shorter (3.09 Å) and four longer (3.20 Å) Si–Ce bond lengths. There are one shorter (2.31 Å) and two longer (2.35 Å) Si–Si bond lengths.« less

Publication Date:
Other Number(s):
mp-3545
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; CeMgSi2; Ce-Mg-Si
OSTI Identifier:
1206997
DOI:
https://doi.org/10.17188/1206997

Citation Formats

The Materials Project. Materials Data on CeMgSi2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1206997.
The Materials Project. Materials Data on CeMgSi2 by Materials Project. United States. doi:https://doi.org/10.17188/1206997
The Materials Project. 2020. "Materials Data on CeMgSi2 by Materials Project". United States. doi:https://doi.org/10.17188/1206997. https://www.osti.gov/servlets/purl/1206997. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1206997,
title = {Materials Data on CeMgSi2 by Materials Project},
author = {The Materials Project},
abstractNote = {CeMgSi2 crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Mg is bonded in a distorted square co-planar geometry to four Si atoms. There are two shorter (2.75 Å) and two longer (2.76 Å) Mg–Si bond lengths. Ce is bonded in a 10-coordinate geometry to ten Si atoms. There are a spread of Ce–Si bond distances ranging from 3.09–3.20 Å. There are eight inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to four equivalent Mg, four equivalent Ce, and one Si atom. All Si–Ce bond lengths are 3.16 Å. The Si–Si bond length is 2.31 Å. In the second Si site, Si is bonded in a 9-coordinate geometry to four equivalent Mg, four equivalent Ce, and one Si atom. The Si–Si bond length is 2.31 Å. In the third Si site, Si is bonded in a 9-coordinate geometry to four equivalent Mg, four equivalent Ce, and one Si atom. There are two shorter (2.75 Å) and two longer (2.76 Å) Si–Mg bond lengths. All Si–Ce bond lengths are 3.16 Å. The Si–Si bond length is 2.31 Å. In the fourth Si site, Si is bonded in a 9-coordinate geometry to six equivalent Ce and three Si atoms. There are two shorter (3.09 Å) and four longer (3.20 Å) Si–Ce bond lengths. Both Si–Si bond lengths are 2.35 Å. In the fifth Si site, Si is bonded in a 9-coordinate geometry to six equivalent Ce and three Si atoms. Both Si–Si bond lengths are 2.35 Å. In the sixth Si site, Si is bonded in a 9-coordinate geometry to six equivalent Ce and three Si atoms. The Si–Si bond length is 2.31 Å. In the seventh Si site, Si is bonded in a 9-coordinate geometry to four equivalent Mg, four equivalent Ce, and one Si atom. There are two shorter (2.75 Å) and two longer (2.76 Å) Si–Mg bond lengths. All Si–Ce bond lengths are 3.16 Å. The Si–Si bond length is 2.31 Å. In the eighth Si site, Si is bonded in a 9-coordinate geometry to six equivalent Ce and three Si atoms. There are two shorter (3.09 Å) and four longer (3.20 Å) Si–Ce bond lengths. There are one shorter (2.31 Å) and two longer (2.35 Å) Si–Si bond lengths.},
doi = {10.17188/1206997},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}