U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Ce(Co5Mo)2 by Materials Project
Abstract
Ce(MoCo5)2 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Ce is bonded in a 12-coordinate geometry to two equivalent Mo and eighteen Co atoms. Both Ce–Mo bond lengths are 3.05 Å. There are a spread of Ce–Co bond distances ranging from 2.93–3.21 Å. Mo is bonded in a 10-coordinate geometry to one Ce, one Mo, and twelve Co atoms. The Mo–Mo bond length is 2.39 Å. There are a spread of Mo–Co bond distances ranging from 2.59–2.88 Å. There are four inequivalent Co sites. In the first Co site, Co is bonded to two equivalent Ce, two equivalent Mo, and eight Co atoms to form a mixture of distorted corner, edge, and face-sharing CoCe2Co8Mo2 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.44–2.66 Å. In the second Co site, Co is bonded in a 12-coordinate geometry to two equivalent Ce, two equivalent Mo, and eight Co atoms. There are four shorter (2.43 Å) and two longer (2.65 Å) Co–Co bond lengths. In the third Co site, Co is bonded to two equivalent Ce, two equivalent Mo, and eight Co atoms to form a mixture of distorted corner, edge, and face-sharing CoCe2Co8Mo2 cuboctahedra. There aremore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1226926
- 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; Ce(Co5Mo)2; Ce-Co-Mo
- OSTI Identifier:
- 1734167
- DOI:
- https://doi.org/10.17188/1734167
Citation Formats
The Materials Project. Materials Data on Ce(Co5Mo)2 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1734167.
The Materials Project. Materials Data on Ce(Co5Mo)2 by Materials Project. United States. doi:https://doi.org/10.17188/1734167
The Materials Project. 2019.
"Materials Data on Ce(Co5Mo)2 by Materials Project". United States. doi:https://doi.org/10.17188/1734167. https://www.osti.gov/servlets/purl/1734167. Pub date:Sun Jan 13 00:00:00 EST 2019
@article{osti_1734167,
title = {Materials Data on Ce(Co5Mo)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Ce(MoCo5)2 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Ce is bonded in a 12-coordinate geometry to two equivalent Mo and eighteen Co atoms. Both Ce–Mo bond lengths are 3.05 Å. There are a spread of Ce–Co bond distances ranging from 2.93–3.21 Å. Mo is bonded in a 10-coordinate geometry to one Ce, one Mo, and twelve Co atoms. The Mo–Mo bond length is 2.39 Å. There are a spread of Mo–Co bond distances ranging from 2.59–2.88 Å. There are four inequivalent Co sites. In the first Co site, Co is bonded to two equivalent Ce, two equivalent Mo, and eight Co atoms to form a mixture of distorted corner, edge, and face-sharing CoCe2Co8Mo2 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.44–2.66 Å. In the second Co site, Co is bonded in a 12-coordinate geometry to two equivalent Ce, two equivalent Mo, and eight Co atoms. There are four shorter (2.43 Å) and two longer (2.65 Å) Co–Co bond lengths. In the third Co site, Co is bonded to two equivalent Ce, two equivalent Mo, and eight Co atoms to form a mixture of distorted corner, edge, and face-sharing CoCe2Co8Mo2 cuboctahedra. There are two shorter (2.33 Å) and two longer (2.59 Å) Co–Co bond lengths. In the fourth Co site, Co is bonded in a 2-coordinate geometry to one Ce, four equivalent Mo, and nine Co atoms. The Co–Co bond length is 2.37 Å.},
doi = {10.17188/1734167},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}