U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Y(Co5Mo)2 by Materials Project
Abstract
Y(MoCo5)2 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Y is bonded in a 12-coordinate geometry to two equivalent Mo and eighteen Co atoms. Both Y–Mo bond lengths are 3.03 Å. There are a spread of Y–Co bond distances ranging from 2.95–3.21 Å. Mo is bonded in a 10-coordinate geometry to one Y, one Mo, and twelve Co atoms. The Mo–Mo bond length is 2.40 Å. There are a spread of Mo–Co bond distances ranging from 2.58–2.88 Å. There are four inequivalent Co sites. In the first Co site, Co is bonded to two equivalent Y, two equivalent Mo, and eight Co atoms to form a mixture of distorted edge, corner, and face-sharing CoY2Co8Mo2 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.43–2.64 Å. In the second Co site, Co is bonded in a 12-coordinate geometry to two equivalent Y, two equivalent Mo, and eight Co atoms. There are four shorter (2.43 Å) and two longer (2.64 Å) Co–Co bond lengths. In the third Co site, Co is bonded to two equivalent Y, two equivalent Mo, and eight Co atoms to form a mixture of distorted edge, corner, and face-sharing CoY2Co8Mo2 cuboctahedra. There aremore »
- Publication Date:
- Other Number(s):
- mp-1216218
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; Co-Mo-Y; Y(Co5Mo)2; crystal structure
- OSTI Identifier:
- 1687408
- DOI:
- https://doi.org/10.17188/1687408
Citation Formats
Materials Data on Y(Co5Mo)2 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1687408.
Materials Data on Y(Co5Mo)2 by Materials Project. United States. doi:https://doi.org/10.17188/1687408
2019.
"Materials Data on Y(Co5Mo)2 by Materials Project". United States. doi:https://doi.org/10.17188/1687408. https://www.osti.gov/servlets/purl/1687408. Pub date:Sat Jan 12 04:00:00 UTC 2019
@article{osti_1687408,
title = {Materials Data on Y(Co5Mo)2 by Materials Project},
abstractNote = {Y(MoCo5)2 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Y is bonded in a 12-coordinate geometry to two equivalent Mo and eighteen Co atoms. Both Y–Mo bond lengths are 3.03 Å. There are a spread of Y–Co bond distances ranging from 2.95–3.21 Å. Mo is bonded in a 10-coordinate geometry to one Y, one Mo, and twelve Co atoms. The Mo–Mo bond length is 2.40 Å. There are a spread of Mo–Co bond distances ranging from 2.58–2.88 Å. There are four inequivalent Co sites. In the first Co site, Co is bonded to two equivalent Y, two equivalent Mo, and eight Co atoms to form a mixture of distorted edge, corner, and face-sharing CoY2Co8Mo2 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.43–2.64 Å. In the second Co site, Co is bonded in a 12-coordinate geometry to two equivalent Y, two equivalent Mo, and eight Co atoms. There are four shorter (2.43 Å) and two longer (2.64 Å) Co–Co bond lengths. In the third Co site, Co is bonded to two equivalent Y, two equivalent Mo, and eight Co atoms to form a mixture of distorted edge, corner, and face-sharing CoY2Co8Mo2 cuboctahedra. There are two shorter (2.34 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 Y, four equivalent Mo, and nine Co atoms. The Co–Co bond length is 2.37 Å.},
doi = {10.17188/1687408},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}