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Title: Materials Data on Ce(P3Ru)4 by Materials Project

Abstract

CeRu4P12 crystallizes in the cubic Im-3 space group. The structure is three-dimensional. Ce3+ is bonded to twelve equivalent P1- atoms to form CeP12 cuboctahedra that share faces with eight equivalent RuP6 octahedra. All Ce–P bond lengths are 3.11 Å. Ru+2.25+ is bonded to six equivalent P1- atoms to form RuP6 octahedra that share corners with six equivalent RuP6 octahedra and faces with two equivalent CeP12 cuboctahedra. The corner-sharing octahedral tilt angles are 62°. All Ru–P bond lengths are 2.36 Å. P1- is bonded in a 5-coordinate geometry to one Ce3+, two equivalent Ru+2.25+, and two equivalent P1- atoms. There are one shorter (2.32 Å) and one longer (2.33 Å) P–P bond lengths.

Publication Date:
Other Number(s):
mp-10069
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; Ce(P3Ru)4; Ce-P-Ru
OSTI Identifier:
1185098
DOI:
https://doi.org/10.17188/1185098

Citation Formats

The Materials Project. Materials Data on Ce(P3Ru)4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1185098.
The Materials Project. Materials Data on Ce(P3Ru)4 by Materials Project. United States. doi:https://doi.org/10.17188/1185098
The Materials Project. 2020. "Materials Data on Ce(P3Ru)4 by Materials Project". United States. doi:https://doi.org/10.17188/1185098. https://www.osti.gov/servlets/purl/1185098. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1185098,
title = {Materials Data on Ce(P3Ru)4 by Materials Project},
author = {The Materials Project},
abstractNote = {CeRu4P12 crystallizes in the cubic Im-3 space group. The structure is three-dimensional. Ce3+ is bonded to twelve equivalent P1- atoms to form CeP12 cuboctahedra that share faces with eight equivalent RuP6 octahedra. All Ce–P bond lengths are 3.11 Å. Ru+2.25+ is bonded to six equivalent P1- atoms to form RuP6 octahedra that share corners with six equivalent RuP6 octahedra and faces with two equivalent CeP12 cuboctahedra. The corner-sharing octahedral tilt angles are 62°. All Ru–P bond lengths are 2.36 Å. P1- is bonded in a 5-coordinate geometry to one Ce3+, two equivalent Ru+2.25+, and two equivalent P1- atoms. There are one shorter (2.32 Å) and one longer (2.33 Å) P–P bond lengths.},
doi = {10.17188/1185098},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}