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Title: Materials Data on Ni(RhSe2)2 by Materials Project

Abstract

Ni(RhSe2)2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Rh3+ is bonded to six Se2- atoms to form RhSe6 octahedra that share corners with six equivalent NiSe6 octahedra, edges with six equivalent RhSe6 octahedra, and a faceface with one NiSe6 octahedra. The corner-sharing octahedra tilt angles range from 48–55°. There are a spread of Rh–Se bond distances ranging from 2.48–2.61 Å. Ni2+ is bonded to six Se2- atoms to form NiSe6 octahedra that share corners with twelve equivalent RhSe6 octahedra, edges with two equivalent NiSe6 octahedra, and faces with two equivalent RhSe6 octahedra. The corner-sharing octahedra tilt angles range from 48–55°. There are two shorter (2.50 Å) and four longer (2.52 Å) Ni–Se bond lengths. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a distorted rectangular see-saw-like geometry to three equivalent Rh3+ and one Ni2+ atom. In the second Se2- site, Se2- is bonded in a 5-coordinate geometry to three equivalent Rh3+ and two equivalent Ni2+ atoms.

Publication Date:
Other Number(s):
mp-4852
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; Ni(RhSe2)2; Ni-Rh-Se
OSTI Identifier:
1208443
DOI:
https://doi.org/10.17188/1208443

Citation Formats

The Materials Project. Materials Data on Ni(RhSe2)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1208443.
The Materials Project. Materials Data on Ni(RhSe2)2 by Materials Project. United States. doi:https://doi.org/10.17188/1208443
The Materials Project. 2020. "Materials Data on Ni(RhSe2)2 by Materials Project". United States. doi:https://doi.org/10.17188/1208443. https://www.osti.gov/servlets/purl/1208443. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1208443,
title = {Materials Data on Ni(RhSe2)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Ni(RhSe2)2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Rh3+ is bonded to six Se2- atoms to form RhSe6 octahedra that share corners with six equivalent NiSe6 octahedra, edges with six equivalent RhSe6 octahedra, and a faceface with one NiSe6 octahedra. The corner-sharing octahedra tilt angles range from 48–55°. There are a spread of Rh–Se bond distances ranging from 2.48–2.61 Å. Ni2+ is bonded to six Se2- atoms to form NiSe6 octahedra that share corners with twelve equivalent RhSe6 octahedra, edges with two equivalent NiSe6 octahedra, and faces with two equivalent RhSe6 octahedra. The corner-sharing octahedra tilt angles range from 48–55°. There are two shorter (2.50 Å) and four longer (2.52 Å) Ni–Se bond lengths. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a distorted rectangular see-saw-like geometry to three equivalent Rh3+ and one Ni2+ atom. In the second Se2- site, Se2- is bonded in a 5-coordinate geometry to three equivalent Rh3+ and two equivalent Ni2+ atoms.},
doi = {10.17188/1208443},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}