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Title: Materials Data on Ho3B7Mo by Materials Project

Abstract

Ho3MoB7 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Ho3+ sites. In the first Ho3+ site, Ho3+ is bonded in a 11-coordinate geometry to eleven B+2.14- atoms. There are a spread of Ho–B bond distances ranging from 2.63–3.38 Å. In the second Ho3+ site, Ho3+ is bonded in a 11-coordinate geometry to eleven B+2.14- atoms. There are a spread of Ho–B bond distances ranging from 2.64–2.74 Å. Mo6+ is bonded in a 10-coordinate geometry to ten B+2.14- atoms. There are a spread of Mo–B bond distances ranging from 2.33–2.37 Å. There are four inequivalent B+2.14- sites. In the first B+2.14- site, B+2.14- is bonded in a 9-coordinate geometry to four equivalent Ho3+, two equivalent Mo6+, and three B+2.14- atoms. There are a spread of B–B bond distances ranging from 1.81–1.91 Å. In the second B+2.14- site, B+2.14- is bonded in a 9-coordinate geometry to six Ho3+ and three B+2.14- atoms. There is one shorter (1.83 Å) and two longer (1.97 Å) B–B bond length. In the third B+2.14- site, B+2.14- is bonded in a 9-coordinate geometry to four Ho3+, two equivalent Mo6+, and three B+2.14- atoms. The B–B bond length is 1.95 Å.more » In the fourth B+2.14- site, B+2.14- is bonded in a 9-coordinate geometry to five Ho3+, two equivalent Mo6+, and two equivalent B+2.14- atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-1212287
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; Ho3B7Mo; B-Ho-Mo
OSTI Identifier:
1717098
DOI:
https://doi.org/10.17188/1717098

Citation Formats

The Materials Project. Materials Data on Ho3B7Mo by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1717098.
The Materials Project. Materials Data on Ho3B7Mo by Materials Project. United States. doi:https://doi.org/10.17188/1717098
The Materials Project. 2020. "Materials Data on Ho3B7Mo by Materials Project". United States. doi:https://doi.org/10.17188/1717098. https://www.osti.gov/servlets/purl/1717098. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1717098,
title = {Materials Data on Ho3B7Mo by Materials Project},
author = {The Materials Project},
abstractNote = {Ho3MoB7 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Ho3+ sites. In the first Ho3+ site, Ho3+ is bonded in a 11-coordinate geometry to eleven B+2.14- atoms. There are a spread of Ho–B bond distances ranging from 2.63–3.38 Å. In the second Ho3+ site, Ho3+ is bonded in a 11-coordinate geometry to eleven B+2.14- atoms. There are a spread of Ho–B bond distances ranging from 2.64–2.74 Å. Mo6+ is bonded in a 10-coordinate geometry to ten B+2.14- atoms. There are a spread of Mo–B bond distances ranging from 2.33–2.37 Å. There are four inequivalent B+2.14- sites. In the first B+2.14- site, B+2.14- is bonded in a 9-coordinate geometry to four equivalent Ho3+, two equivalent Mo6+, and three B+2.14- atoms. There are a spread of B–B bond distances ranging from 1.81–1.91 Å. In the second B+2.14- site, B+2.14- is bonded in a 9-coordinate geometry to six Ho3+ and three B+2.14- atoms. There is one shorter (1.83 Å) and two longer (1.97 Å) B–B bond length. In the third B+2.14- site, B+2.14- is bonded in a 9-coordinate geometry to four Ho3+, two equivalent Mo6+, and three B+2.14- atoms. The B–B bond length is 1.95 Å. In the fourth B+2.14- site, B+2.14- is bonded in a 9-coordinate geometry to five Ho3+, two equivalent Mo6+, and two equivalent B+2.14- atoms.},
doi = {10.17188/1717098},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}