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Title: Materials Data on Ce2Si4OsRu3 by Materials Project

Abstract

Ce2OsRu3Si4 crystallizes in the tetragonal P-4m2 space group. The structure is three-dimensional. Ce3+ is bonded in a 10-coordinate geometry to two equivalent Os2- and eight Si4- atoms. Both Ce–Os bond lengths are 3.20 Å. There are four shorter (3.23 Å) and four longer (3.24 Å) Ce–Si bond lengths. Os2- is bonded in a 4-coordinate geometry to four equivalent Ce3+ and four equivalent Si4- atoms. All Os–Si bond lengths are 2.40 Å. There are two inequivalent Ru4+ sites. In the first Ru4+ site, Ru4+ is bonded to four equivalent Si4- atoms to form a mixture of edge and corner-sharing RuSi4 tetrahedra. All Ru–Si bond lengths are 2.39 Å. In the second Ru4+ site, Ru4+ is bonded to four equivalent Si4- atoms to form distorted corner-sharing RuSi4 tetrahedra. All Ru–Si bond lengths are 2.40 Å. There are two inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a 9-coordinate geometry to four equivalent Ce3+, two equivalent Os2-, and two equivalent Ru4+ atoms. In the second Si4- site, Si4- is bonded in a 4-coordinate geometry to four equivalent Ce3+ and four equivalent Ru4+ atoms.

Publication Date:
Other Number(s):
mp-1226778
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; Ce2Si4OsRu3; Ce-Os-Ru-Si
OSTI Identifier:
1662632
DOI:
https://doi.org/10.17188/1662632

Citation Formats

The Materials Project. Materials Data on Ce2Si4OsRu3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1662632.
The Materials Project. Materials Data on Ce2Si4OsRu3 by Materials Project. United States. doi:https://doi.org/10.17188/1662632
The Materials Project. 2020. "Materials Data on Ce2Si4OsRu3 by Materials Project". United States. doi:https://doi.org/10.17188/1662632. https://www.osti.gov/servlets/purl/1662632. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1662632,
title = {Materials Data on Ce2Si4OsRu3 by Materials Project},
author = {The Materials Project},
abstractNote = {Ce2OsRu3Si4 crystallizes in the tetragonal P-4m2 space group. The structure is three-dimensional. Ce3+ is bonded in a 10-coordinate geometry to two equivalent Os2- and eight Si4- atoms. Both Ce–Os bond lengths are 3.20 Å. There are four shorter (3.23 Å) and four longer (3.24 Å) Ce–Si bond lengths. Os2- is bonded in a 4-coordinate geometry to four equivalent Ce3+ and four equivalent Si4- atoms. All Os–Si bond lengths are 2.40 Å. There are two inequivalent Ru4+ sites. In the first Ru4+ site, Ru4+ is bonded to four equivalent Si4- atoms to form a mixture of edge and corner-sharing RuSi4 tetrahedra. All Ru–Si bond lengths are 2.39 Å. In the second Ru4+ site, Ru4+ is bonded to four equivalent Si4- atoms to form distorted corner-sharing RuSi4 tetrahedra. All Ru–Si bond lengths are 2.40 Å. There are two inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a 9-coordinate geometry to four equivalent Ce3+, two equivalent Os2-, and two equivalent Ru4+ atoms. In the second Si4- site, Si4- is bonded in a 4-coordinate geometry to four equivalent Ce3+ and four equivalent Ru4+ atoms.},
doi = {10.17188/1662632},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}