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Title: 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 » 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.« less

Authors:
Publication Date:
Other Number(s):
mp-1216218
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; Y(Co5Mo)2; Co-Mo-Y
OSTI Identifier:
1687408
DOI:
https://doi.org/10.17188/1687408

Citation Formats

The Materials Project. Materials Data on Y(Co5Mo)2 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1687408.
The Materials Project. Materials Data on Y(Co5Mo)2 by Materials Project. United States. doi:https://doi.org/10.17188/1687408
The Materials Project. 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 00:00:00 EST 2019
@article{osti_1687408,
title = {Materials Data on Y(Co5Mo)2 by Materials Project},
author = {The 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}
}