Materials Data on Nd(P3Ru)4 by Materials Project
Abstract
Nd(RuP3)4 crystallizes in the cubic Im-3 space group. The structure is three-dimensional. Nd3+ is bonded to twelve equivalent P1- atoms to form NdP12 cuboctahedra that share faces with eight equivalent RuP6 octahedra. All Nd–P bond lengths are 3.12 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 NdP12 cuboctahedra. The corner-sharing octahedral tilt angles are 62°. All Ru–P bond lengths are 2.37 Å. P1- is bonded in a 5-coordinate geometry to one Nd3+, two equivalent Ru+2.25+, and two equivalent P1- atoms. There are one shorter (2.31 Å) and one longer (2.33 Å) P–P bond lengths.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1189367
- 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; Nd(P3Ru)4; Nd-P-Ru
- OSTI Identifier:
- 1741968
- DOI:
- https://doi.org/10.17188/1741968
Citation Formats
The Materials Project. Materials Data on Nd(P3Ru)4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1741968.
The Materials Project. Materials Data on Nd(P3Ru)4 by Materials Project. United States. doi:https://doi.org/10.17188/1741968
The Materials Project. 2020.
"Materials Data on Nd(P3Ru)4 by Materials Project". United States. doi:https://doi.org/10.17188/1741968. https://www.osti.gov/servlets/purl/1741968. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1741968,
title = {Materials Data on Nd(P3Ru)4 by Materials Project},
author = {The Materials Project},
abstractNote = {Nd(RuP3)4 crystallizes in the cubic Im-3 space group. The structure is three-dimensional. Nd3+ is bonded to twelve equivalent P1- atoms to form NdP12 cuboctahedra that share faces with eight equivalent RuP6 octahedra. All Nd–P bond lengths are 3.12 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 NdP12 cuboctahedra. The corner-sharing octahedral tilt angles are 62°. All Ru–P bond lengths are 2.37 Å. P1- is bonded in a 5-coordinate geometry to one Nd3+, two equivalent Ru+2.25+, and two equivalent P1- atoms. There are one shorter (2.31 Å) and one longer (2.33 Å) P–P bond lengths.},
doi = {10.17188/1741968},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}
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