Materials Data on Cr(RhSe2)2 by Materials Project
Abstract
Cr(RhSe2)2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Cr2+ is bonded to six Se2- atoms to form CrSe6 octahedra that share corners with twelve equivalent RhSe6 octahedra, edges with two equivalent CrSe6 octahedra, and faces with two equivalent RhSe6 octahedra. The corner-sharing octahedra tilt angles range from 50–52°. There are four shorter (2.58 Å) and two longer (2.62 Å) Cr–Se bond lengths. Rh3+ is bonded to six Se2- atoms to form RhSe6 octahedra that share corners with six equivalent CrSe6 octahedra, edges with six equivalent RhSe6 octahedra, and a faceface with one CrSe6 octahedra. The corner-sharing octahedra tilt angles range from 50–52°. There are a spread of Rh–Se bond distances ranging from 2.47–2.62 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a distorted rectangular see-saw-like geometry to one Cr2+ and three equivalent Rh3+ atoms. In the second Se2- site, Se2- is bonded in a 5-coordinate geometry to two equivalent Cr2+ and three equivalent Rh3+ atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1077996
- 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; Cr(RhSe2)2; Cr-Rh-Se
- OSTI Identifier:
- 1681918
- DOI:
- https://doi.org/10.17188/1681918
Citation Formats
The Materials Project. Materials Data on Cr(RhSe2)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1681918.
The Materials Project. Materials Data on Cr(RhSe2)2 by Materials Project. United States. doi:https://doi.org/10.17188/1681918
The Materials Project. 2020.
"Materials Data on Cr(RhSe2)2 by Materials Project". United States. doi:https://doi.org/10.17188/1681918. https://www.osti.gov/servlets/purl/1681918. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1681918,
title = {Materials Data on Cr(RhSe2)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Cr(RhSe2)2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Cr2+ is bonded to six Se2- atoms to form CrSe6 octahedra that share corners with twelve equivalent RhSe6 octahedra, edges with two equivalent CrSe6 octahedra, and faces with two equivalent RhSe6 octahedra. The corner-sharing octahedra tilt angles range from 50–52°. There are four shorter (2.58 Å) and two longer (2.62 Å) Cr–Se bond lengths. Rh3+ is bonded to six Se2- atoms to form RhSe6 octahedra that share corners with six equivalent CrSe6 octahedra, edges with six equivalent RhSe6 octahedra, and a faceface with one CrSe6 octahedra. The corner-sharing octahedra tilt angles range from 50–52°. There are a spread of Rh–Se bond distances ranging from 2.47–2.62 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a distorted rectangular see-saw-like geometry to one Cr2+ and three equivalent Rh3+ atoms. In the second Se2- site, Se2- is bonded in a 5-coordinate geometry to two equivalent Cr2+ and three equivalent Rh3+ atoms.},
doi = {10.17188/1681918},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sun May 03 00:00:00 EDT 2020},
month = {Sun May 03 00:00:00 EDT 2020}
}