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Title: Materials Data on AsRhSe by Materials Project

Abstract

RhAsSe is Spinel-like structured and crystallizes in the cubic P2_13 space group. The structure is three-dimensional. Rh3+ is bonded to three equivalent As1- and three equivalent Se2- atoms to form RhAs3Se3 octahedra that share corners with twelve equivalent RhAs3Se3 octahedra, corners with three equivalent AsRh3Se tetrahedra, and corners with three equivalent SeAsRh3 tetrahedra. The corner-sharing octahedral tilt angles are 64°. All Rh–As bond lengths are 2.48 Å. All Rh–Se bond lengths are 2.53 Å. As1- is bonded to three equivalent Rh3+ and one Se2- atom to form distorted AsRh3Se tetrahedra that share corners with three equivalent RhAs3Se3 octahedra, corners with six equivalent AsRh3Se tetrahedra, and corners with nine equivalent SeAsRh3 tetrahedra. The corner-sharing octahedral tilt angles are 78°. The As–Se bond length is 2.47 Å. Se2- is bonded to three equivalent Rh3+ and one As1- atom to form SeAsRh3 tetrahedra that share corners with three equivalent RhAs3Se3 octahedra, corners with six equivalent SeAsRh3 tetrahedra, and corners with nine equivalent AsRh3Se tetrahedra. The corner-sharing octahedral tilt angles are 79°.

Authors:
Publication Date:
Other Number(s):
mp-1228724
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; AsRhSe; As-Rh-Se
OSTI Identifier:
1689633
DOI:
https://doi.org/10.17188/1689633

Citation Formats

The Materials Project. Materials Data on AsRhSe by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1689633.
The Materials Project. Materials Data on AsRhSe by Materials Project. United States. doi:https://doi.org/10.17188/1689633
The Materials Project. 2020. "Materials Data on AsRhSe by Materials Project". United States. doi:https://doi.org/10.17188/1689633. https://www.osti.gov/servlets/purl/1689633. Pub date:Sat May 09 00:00:00 EDT 2020
@article{osti_1689633,
title = {Materials Data on AsRhSe by Materials Project},
author = {The Materials Project},
abstractNote = {RhAsSe is Spinel-like structured and crystallizes in the cubic P2_13 space group. The structure is three-dimensional. Rh3+ is bonded to three equivalent As1- and three equivalent Se2- atoms to form RhAs3Se3 octahedra that share corners with twelve equivalent RhAs3Se3 octahedra, corners with three equivalent AsRh3Se tetrahedra, and corners with three equivalent SeAsRh3 tetrahedra. The corner-sharing octahedral tilt angles are 64°. All Rh–As bond lengths are 2.48 Å. All Rh–Se bond lengths are 2.53 Å. As1- is bonded to three equivalent Rh3+ and one Se2- atom to form distorted AsRh3Se tetrahedra that share corners with three equivalent RhAs3Se3 octahedra, corners with six equivalent AsRh3Se tetrahedra, and corners with nine equivalent SeAsRh3 tetrahedra. The corner-sharing octahedral tilt angles are 78°. The As–Se bond length is 2.47 Å. Se2- is bonded to three equivalent Rh3+ and one As1- atom to form SeAsRh3 tetrahedra that share corners with three equivalent RhAs3Se3 octahedra, corners with six equivalent SeAsRh3 tetrahedra, and corners with nine equivalent AsRh3Se tetrahedra. The corner-sharing octahedral tilt angles are 79°.},
doi = {10.17188/1689633},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}