U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Ce(MnCo2)4 by Materials Project
Abstract
CeCo8Mn4 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ce is bonded to eight equivalent Mn and twelve Co atoms to form a mixture of distorted corner and face-sharing CeMn8Co12 cuboctahedra. All Ce–Mn bond lengths are 3.18 Å. There are eight shorter (2.97 Å) and four longer (3.00 Å) Ce–Co bond lengths. Mn is bonded in a 12-coordinate geometry to two equivalent Ce, two equivalent Mn, and eight Co atoms. Both Mn–Mn bond lengths are 2.28 Å. There are four shorter (2.39 Å) and four longer (2.55 Å) Mn–Co bond lengths. There are two inequivalent Co sites. In the first Co site, Co is bonded in a 10-coordinate geometry to one Ce, four equivalent Mn, and nine Co atoms. There are a spread of Co–Co bond distances ranging from 2.39–2.84 Å. In the second Co site, Co is bonded in a 12-coordinate geometry to two equivalent Ce, four equivalent Mn, and six Co atoms. Both Co–Co bond lengths are 2.70 Å.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1104214
- 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(MnCo2)4; Ce-Co-Mn
- OSTI Identifier:
- 1707997
- DOI:
- https://doi.org/10.17188/1707997
Citation Formats
The Materials Project. Materials Data on Ce(MnCo2)4 by Materials Project. United States: N. p., 2018.
Web. doi:10.17188/1707997.
The Materials Project. Materials Data on Ce(MnCo2)4 by Materials Project. United States. doi:https://doi.org/10.17188/1707997
The Materials Project. 2018.
"Materials Data on Ce(MnCo2)4 by Materials Project". United States. doi:https://doi.org/10.17188/1707997. https://www.osti.gov/servlets/purl/1707997. Pub date:Wed Jul 18 00:00:00 EDT 2018
@article{osti_1707997,
title = {Materials Data on Ce(MnCo2)4 by Materials Project},
author = {The Materials Project},
abstractNote = {CeCo8Mn4 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ce is bonded to eight equivalent Mn and twelve Co atoms to form a mixture of distorted corner and face-sharing CeMn8Co12 cuboctahedra. All Ce–Mn bond lengths are 3.18 Å. There are eight shorter (2.97 Å) and four longer (3.00 Å) Ce–Co bond lengths. Mn is bonded in a 12-coordinate geometry to two equivalent Ce, two equivalent Mn, and eight Co atoms. Both Mn–Mn bond lengths are 2.28 Å. There are four shorter (2.39 Å) and four longer (2.55 Å) Mn–Co bond lengths. There are two inequivalent Co sites. In the first Co site, Co is bonded in a 10-coordinate geometry to one Ce, four equivalent Mn, and nine Co atoms. There are a spread of Co–Co bond distances ranging from 2.39–2.84 Å. In the second Co site, Co is bonded in a 12-coordinate geometry to two equivalent Ce, four equivalent Mn, and six Co atoms. Both Co–Co bond lengths are 2.70 Å.},
doi = {10.17188/1707997},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2018},
month = {7}
}