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Title: Materials Data on As2Rh by Materials Project

Abstract

RhAs2 is Pyrite-like structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Rh4+ is bonded to six As2- atoms to form RhAs6 octahedra that share corners with eight equivalent RhAs6 octahedra, corners with six AsAsRh3 tetrahedra, and edges with two equivalent RhAs6 octahedra. The corner-sharing octahedra tilt angles range from 53–60°. There are a spread of Rh–As bond distances ranging from 2.45–2.54 Å. There are two inequivalent As2- sites. In the first As2- site, As2- is bonded to three equivalent Rh4+ and one As2- atom to form distorted AsAsRh3 tetrahedra that share corners with three equivalent RhAs6 octahedra, corners with thirteen AsAsRh3 tetrahedra, and an edgeedge with one AsAsRh3 tetrahedra. The corner-sharing octahedra tilt angles range from 73–78°. The As–As bond length is 2.50 Å. In the second As2- site, As2- is bonded to three equivalent Rh4+ and one As2- atom to form AsAsRh3 tetrahedra that share corners with three equivalent RhAs6 octahedra, corners with thirteen AsAsRh3 tetrahedra, and an edgeedge with one AsAsRh3 tetrahedra. The corner-sharing octahedra tilt angles range from 68–72°.

Authors:
Publication Date:
Other Number(s):
mp-15954
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; As2Rh; As-Rh
OSTI Identifier:
1191469
DOI:
https://doi.org/10.17188/1191469

Citation Formats

The Materials Project. Materials Data on As2Rh by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1191469.
The Materials Project. Materials Data on As2Rh by Materials Project. United States. doi:https://doi.org/10.17188/1191469
The Materials Project. 2020. "Materials Data on As2Rh by Materials Project". United States. doi:https://doi.org/10.17188/1191469. https://www.osti.gov/servlets/purl/1191469. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1191469,
title = {Materials Data on As2Rh by Materials Project},
author = {The Materials Project},
abstractNote = {RhAs2 is Pyrite-like structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Rh4+ is bonded to six As2- atoms to form RhAs6 octahedra that share corners with eight equivalent RhAs6 octahedra, corners with six AsAsRh3 tetrahedra, and edges with two equivalent RhAs6 octahedra. The corner-sharing octahedra tilt angles range from 53–60°. There are a spread of Rh–As bond distances ranging from 2.45–2.54 Å. There are two inequivalent As2- sites. In the first As2- site, As2- is bonded to three equivalent Rh4+ and one As2- atom to form distorted AsAsRh3 tetrahedra that share corners with three equivalent RhAs6 octahedra, corners with thirteen AsAsRh3 tetrahedra, and an edgeedge with one AsAsRh3 tetrahedra. The corner-sharing octahedra tilt angles range from 73–78°. The As–As bond length is 2.50 Å. In the second As2- site, As2- is bonded to three equivalent Rh4+ and one As2- atom to form AsAsRh3 tetrahedra that share corners with three equivalent RhAs6 octahedra, corners with thirteen AsAsRh3 tetrahedra, and an edgeedge with one AsAsRh3 tetrahedra. The corner-sharing octahedra tilt angles range from 68–72°.},
doi = {10.17188/1191469},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}