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Title: Materials Data on Dy(Co5Mo)2 by Materials Project

Abstract

Dy(MoCo5)2 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Dy is bonded in a 12-coordinate geometry to two equivalent Mo and eighteen Co atoms. Both Dy–Mo bond lengths are 3.03 Å. There are a spread of Dy–Co bond distances ranging from 2.94–3.21 Å. Mo is bonded in a 10-coordinate geometry to one Dy, 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 2.58–2.89 Å. There are four inequivalent Co sites. In the first Co site, Co is bonded to two equivalent Dy, two equivalent Mo, and eight Co atoms to form a mixture of distorted corner, edge, and face-sharing CoDy2Co8Mo2 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 Dy, 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 Dy, two equivalent Mo, and eight Co atoms to form a mixture of distorted corner, edge, and face-sharing CoDy2Co8Mo2 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 Dy, four equivalent Mo, and nine Co atoms. The Co–Co bond length is 2.38 Å.« less

Publication Date:
Other Number(s):
mp-1225767
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Dy(Co5Mo)2; Co-Dy-Mo
OSTI Identifier:
1684461
DOI:
https://doi.org/10.17188/1684461

Citation Formats

The Materials Project. Materials Data on Dy(Co5Mo)2 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1684461.
The Materials Project. Materials Data on Dy(Co5Mo)2 by Materials Project. United States. doi:https://doi.org/10.17188/1684461
The Materials Project. 2019. "Materials Data on Dy(Co5Mo)2 by Materials Project". United States. doi:https://doi.org/10.17188/1684461. https://www.osti.gov/servlets/purl/1684461. Pub date:Sun Jan 13 00:00:00 EST 2019
@article{osti_1684461,
title = {Materials Data on Dy(Co5Mo)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Dy(MoCo5)2 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Dy is bonded in a 12-coordinate geometry to two equivalent Mo and eighteen Co atoms. Both Dy–Mo bond lengths are 3.03 Å. There are a spread of Dy–Co bond distances ranging from 2.94–3.21 Å. Mo is bonded in a 10-coordinate geometry to one Dy, 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 2.58–2.89 Å. There are four inequivalent Co sites. In the first Co site, Co is bonded to two equivalent Dy, two equivalent Mo, and eight Co atoms to form a mixture of distorted corner, edge, and face-sharing CoDy2Co8Mo2 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 Dy, 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 Dy, two equivalent Mo, and eight Co atoms to form a mixture of distorted corner, edge, and face-sharing CoDy2Co8Mo2 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 Dy, four equivalent Mo, and nine Co atoms. The Co–Co bond length is 2.38 Å.},
doi = {10.17188/1684461},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}