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Title: Materials Data on Sc(P2Rh3)2 by Materials Project

Abstract

Sc(Rh3P2)2 crystallizes in the hexagonal P-6 space group. The structure is three-dimensional. Sc is bonded to six equivalent Rh and six equivalent P atoms to form face-sharing ScP6Rh6 cuboctahedra. All Sc–Rh bond lengths are 2.98 Å. All Sc–P bond lengths are 2.92 Å. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 5-coordinate geometry to five P atoms. There are a spread of Rh–P bond distances ranging from 2.42–2.59 Å. In the second Rh site, Rh is bonded in a 6-coordinate geometry to two equivalent Sc and four P atoms. There are a spread of Rh–P bond distances ranging from 2.28–2.51 Å. There are two inequivalent P sites. In the first P site, P is bonded in a 9-coordinate geometry to nine Rh atoms. In the second P site, P is bonded in a 8-coordinate geometry to two equivalent Sc and six Rh atoms.

Authors:
Publication Date:
Other Number(s):
mp-1102147
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; Sc(P2Rh3)2; P-Rh-Sc
OSTI Identifier:
1740272
DOI:
https://doi.org/10.17188/1740272

Citation Formats

The Materials Project. Materials Data on Sc(P2Rh3)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1740272.
The Materials Project. Materials Data on Sc(P2Rh3)2 by Materials Project. United States. doi:https://doi.org/10.17188/1740272
The Materials Project. 2020. "Materials Data on Sc(P2Rh3)2 by Materials Project". United States. doi:https://doi.org/10.17188/1740272. https://www.osti.gov/servlets/purl/1740272. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1740272,
title = {Materials Data on Sc(P2Rh3)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Sc(Rh3P2)2 crystallizes in the hexagonal P-6 space group. The structure is three-dimensional. Sc is bonded to six equivalent Rh and six equivalent P atoms to form face-sharing ScP6Rh6 cuboctahedra. All Sc–Rh bond lengths are 2.98 Å. All Sc–P bond lengths are 2.92 Å. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 5-coordinate geometry to five P atoms. There are a spread of Rh–P bond distances ranging from 2.42–2.59 Å. In the second Rh site, Rh is bonded in a 6-coordinate geometry to two equivalent Sc and four P atoms. There are a spread of Rh–P bond distances ranging from 2.28–2.51 Å. There are two inequivalent P sites. In the first P site, P is bonded in a 9-coordinate geometry to nine Rh atoms. In the second P site, P is bonded in a 8-coordinate geometry to two equivalent Sc and six Rh atoms.},
doi = {10.17188/1740272},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}