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Title: Materials Data on ErCr2Si2C by Materials Project

Abstract

ErCr2Si2C crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Er3+ is bonded in a distorted linear geometry to eight equivalent Si4- and two equivalent C4- atoms. All Er–Si bond lengths are 3.04 Å. Both Er–C bond lengths are 2.60 Å. Cr+4.50+ is bonded in a distorted linear geometry to four equivalent Si4- and two equivalent C4- atoms. All Cr–Si bond lengths are 2.43 Å. Both Cr–C bond lengths are 1.98 Å. Si4- is bonded in a 9-coordinate geometry to four equivalent Er3+, four equivalent Cr+4.50+, and one Si4- atom. The Si–Si bond length is 2.39 Å. C4- is bonded to two equivalent Er3+ and four equivalent Cr+4.50+ atoms to form corner-sharing CEr2Cr4 octahedra. The corner-sharing octahedral tilt angles are 0°.

Authors:
Publication Date:
Other Number(s):
mp-1206309
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; ErCr2Si2C; C-Cr-Er-Si
OSTI Identifier:
1711646
DOI:
https://doi.org/10.17188/1711646

Citation Formats

The Materials Project. Materials Data on ErCr2Si2C by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1711646.
The Materials Project. Materials Data on ErCr2Si2C by Materials Project. United States. doi:https://doi.org/10.17188/1711646
The Materials Project. 2020. "Materials Data on ErCr2Si2C by Materials Project". United States. doi:https://doi.org/10.17188/1711646. https://www.osti.gov/servlets/purl/1711646. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1711646,
title = {Materials Data on ErCr2Si2C by Materials Project},
author = {The Materials Project},
abstractNote = {ErCr2Si2C crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Er3+ is bonded in a distorted linear geometry to eight equivalent Si4- and two equivalent C4- atoms. All Er–Si bond lengths are 3.04 Å. Both Er–C bond lengths are 2.60 Å. Cr+4.50+ is bonded in a distorted linear geometry to four equivalent Si4- and two equivalent C4- atoms. All Cr–Si bond lengths are 2.43 Å. Both Cr–C bond lengths are 1.98 Å. Si4- is bonded in a 9-coordinate geometry to four equivalent Er3+, four equivalent Cr+4.50+, and one Si4- atom. The Si–Si bond length is 2.39 Å. C4- is bonded to two equivalent Er3+ and four equivalent Cr+4.50+ atoms to form corner-sharing CEr2Cr4 octahedra. The corner-sharing octahedral tilt angles are 0°.},
doi = {10.17188/1711646},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}