U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on CeY3Mn8 by Materials Project
Abstract
CeY3Mn8 is Hexagonal Laves-derived structured and crystallizes in the monoclinic Cm space group. The structure is three-dimensional. Ce is bonded in a 10-coordinate geometry to four Y and twelve Mn atoms. There are a spread of Ce–Y bond distances ranging from 3.08–3.25 Å. There are a spread of Ce–Mn bond distances ranging from 3.01–3.21 Å. There are three inequivalent Y sites. In the first Y site, Y is bonded in a 12-coordinate geometry to three equivalent Ce, one Y, and twelve Mn atoms. The Y–Y bond length is 3.25 Å. There are a spread of Y–Mn bond distances ranging from 3.01–3.16 Å. In the second Y site, Y is bonded in a 12-coordinate geometry to four Y and twelve Mn atoms. All Y–Y bond lengths are 3.22 Å. There are a spread of Y–Mn bond distances ranging from 2.99–3.13 Å. In the third Y site, Y is bonded in a 1-coordinate geometry to one Ce, three equivalent Y, and twelve Mn atoms. There are a spread of Y–Mn bond distances ranging from 2.98–3.11 Å. There are six inequivalent Mn sites. In the first Mn site, Mn is bonded to three equivalent Ce, three equivalent Y, and six Mn atoms tomore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1226969
- 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; CeY3Mn8; Ce-Mn-Y
- OSTI Identifier:
- 1717110
- DOI:
- https://doi.org/10.17188/1717110
Citation Formats
The Materials Project. Materials Data on CeY3Mn8 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1717110.
The Materials Project. Materials Data on CeY3Mn8 by Materials Project. United States. doi:https://doi.org/10.17188/1717110
The Materials Project. 2019.
"Materials Data on CeY3Mn8 by Materials Project". United States. doi:https://doi.org/10.17188/1717110. https://www.osti.gov/servlets/purl/1717110. Pub date:Sun Jan 13 00:00:00 EST 2019
@article{osti_1717110,
title = {Materials Data on CeY3Mn8 by Materials Project},
author = {The Materials Project},
abstractNote = {CeY3Mn8 is Hexagonal Laves-derived structured and crystallizes in the monoclinic Cm space group. The structure is three-dimensional. Ce is bonded in a 10-coordinate geometry to four Y and twelve Mn atoms. There are a spread of Ce–Y bond distances ranging from 3.08–3.25 Å. There are a spread of Ce–Mn bond distances ranging from 3.01–3.21 Å. There are three inequivalent Y sites. In the first Y site, Y is bonded in a 12-coordinate geometry to three equivalent Ce, one Y, and twelve Mn atoms. The Y–Y bond length is 3.25 Å. There are a spread of Y–Mn bond distances ranging from 3.01–3.16 Å. In the second Y site, Y is bonded in a 12-coordinate geometry to four Y and twelve Mn atoms. All Y–Y bond lengths are 3.22 Å. There are a spread of Y–Mn bond distances ranging from 2.99–3.13 Å. In the third Y site, Y is bonded in a 1-coordinate geometry to one Ce, three equivalent Y, and twelve Mn atoms. There are a spread of Y–Mn bond distances ranging from 2.98–3.11 Å. There are six inequivalent Mn sites. In the first Mn site, Mn is bonded to three equivalent Ce, three equivalent Y, and six Mn atoms to form MnCe3Y3Mn6 cuboctahedra that share corners with twelve MnCe2Y4Mn6 cuboctahedra, edges with six equivalent MnCe3Y3Mn6 cuboctahedra, and faces with twenty MnY6Mn6 cuboctahedra. There are a spread of Mn–Mn bond distances ranging from 2.57–2.70 Å. In the second Mn site, Mn is bonded to six Y and six Mn atoms to form MnY6Mn6 cuboctahedra that share corners with twelve MnCe2Y4Mn6 cuboctahedra, edges with six equivalent MnY6Mn6 cuboctahedra, and faces with twenty MnCe3Y3Mn6 cuboctahedra. There are a spread of Mn–Mn bond distances ranging from 2.50–2.72 Å. In the third Mn site, Mn is bonded to two equivalent Ce, four Y, and six Mn atoms to form MnCe2Y4Mn6 cuboctahedra that share corners with eighteen MnCe3Y3Mn6 cuboctahedra, edges with six MnCe2Y4Mn6 cuboctahedra, and faces with eighteen MnCe3Y3Mn6 cuboctahedra. There are a spread of Mn–Mn bond distances ranging from 2.51–2.80 Å. In the fourth Mn site, Mn is bonded to two equivalent Ce, four Y, and six Mn atoms to form MnCe2Y4Mn6 cuboctahedra that share corners with eighteen MnCe3Y3Mn6 cuboctahedra, edges with six MnCe2Y4Mn6 cuboctahedra, and faces with eighteen MnCe3Y3Mn6 cuboctahedra. In the fifth Mn site, Mn is bonded to one Ce, five Y, and six Mn atoms to form MnCeY5Mn6 cuboctahedra that share corners with eighteen MnCe3Y3Mn6 cuboctahedra, edges with six MnCe2Y4Mn6 cuboctahedra, and faces with eighteen MnCe3Y3Mn6 cuboctahedra. There are a spread of Mn–Mn bond distances ranging from 2.59–2.73 Å. In the sixth Mn site, Mn is bonded to one Ce, five Y, and six Mn atoms to form MnCeY5Mn6 cuboctahedra that share corners with eighteen MnCe3Y3Mn6 cuboctahedra, edges with six MnCe2Y4Mn6 cuboctahedra, and faces with eighteen MnCe3Y3Mn6 cuboctahedra.},
doi = {10.17188/1717110},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}