Materials Data on CeCrSe3 by Materials Project
Abstract
CeCrSe3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ce3+ is bonded in a 9-coordinate geometry to nine Se2- atoms. There are a spread of Ce–Se bond distances ranging from 3.06–3.30 Å. Cr3+ is bonded to six Se2- atoms to form edge-sharing CrSe6 octahedra. There are a spread of Cr–Se bond distances ranging from 2.51–2.60 Å. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 5-coordinate geometry to two equivalent Ce3+ and three equivalent Cr3+ atoms. In the second Se2- site, Se2- is bonded to four equivalent Ce3+ and one Cr3+ atom to form a mixture of distorted edge and corner-sharing SeCe4Cr square pyramids. In the third Se2- site, Se2- is bonded in a 5-coordinate geometry to three equivalent Ce3+ and two equivalent Cr3+ atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-20170
- 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; CeCrSe3; Ce-Cr-Se
- OSTI Identifier:
- 1195310
- DOI:
- https://doi.org/10.17188/1195310
Citation Formats
The Materials Project. Materials Data on CeCrSe3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1195310.
The Materials Project. Materials Data on CeCrSe3 by Materials Project. United States. doi:https://doi.org/10.17188/1195310
The Materials Project. 2020.
"Materials Data on CeCrSe3 by Materials Project". United States. doi:https://doi.org/10.17188/1195310. https://www.osti.gov/servlets/purl/1195310. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1195310,
title = {Materials Data on CeCrSe3 by Materials Project},
author = {The Materials Project},
abstractNote = {CeCrSe3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ce3+ is bonded in a 9-coordinate geometry to nine Se2- atoms. There are a spread of Ce–Se bond distances ranging from 3.06–3.30 Å. Cr3+ is bonded to six Se2- atoms to form edge-sharing CrSe6 octahedra. There are a spread of Cr–Se bond distances ranging from 2.51–2.60 Å. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 5-coordinate geometry to two equivalent Ce3+ and three equivalent Cr3+ atoms. In the second Se2- site, Se2- is bonded to four equivalent Ce3+ and one Cr3+ atom to form a mixture of distorted edge and corner-sharing SeCe4Cr square pyramids. In the third Se2- site, Se2- is bonded in a 5-coordinate geometry to three equivalent Ce3+ and two equivalent Cr3+ atoms.},
doi = {10.17188/1195310},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Wed Jul 15 00:00:00 EDT 2020},
month = {Wed Jul 15 00:00:00 EDT 2020}
}