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Title: Materials Data on GdB4Mo by Materials Project

Abstract

GdMoB4 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. Gd3+ is bonded in a 4-coordinate geometry to fourteen B+1.50- atoms. There are a spread of Gd–B bond distances ranging from 2.70–2.84 Å. Mo3+ is bonded in a 10-coordinate geometry to ten B+1.50- atoms. There are a spread of Mo–B bond distances ranging from 2.39–2.42 Å. There are four inequivalent B+1.50- sites. In the first B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four equivalent Gd3+, two equivalent Mo3+, and three B+1.50- atoms. There are a spread of B–B bond distances ranging from 1.83–1.88 Å. In the second B+1.50- site, B+1.50- is bonded in a 3-coordinate geometry to four equivalent Gd3+, two equivalent Mo3+, and three B+1.50- atoms. There is one shorter (1.79 Å) and one longer (1.80 Å) B–B bond length. In the third B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to two equivalent Gd3+, four equivalent Mo3+, and three B+1.50- atoms. There is one shorter (1.77 Å) and one longer (1.79 Å) B–B bond length. In the fourth B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four equivalent Gd3+, two equivalent Mo3+, and three B+1.50- atoms.

Authors:
Publication Date:
Other Number(s):
mp-1190272
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; GdB4Mo; B-Gd-Mo
OSTI Identifier:
1672521
DOI:
https://doi.org/10.17188/1672521

Citation Formats

The Materials Project. Materials Data on GdB4Mo by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1672521.
The Materials Project. Materials Data on GdB4Mo by Materials Project. United States. doi:https://doi.org/10.17188/1672521
The Materials Project. 2019. "Materials Data on GdB4Mo by Materials Project". United States. doi:https://doi.org/10.17188/1672521. https://www.osti.gov/servlets/purl/1672521. Pub date:Fri Jan 11 00:00:00 EST 2019
@article{osti_1672521,
title = {Materials Data on GdB4Mo by Materials Project},
author = {The Materials Project},
abstractNote = {GdMoB4 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. Gd3+ is bonded in a 4-coordinate geometry to fourteen B+1.50- atoms. There are a spread of Gd–B bond distances ranging from 2.70–2.84 Å. Mo3+ is bonded in a 10-coordinate geometry to ten B+1.50- atoms. There are a spread of Mo–B bond distances ranging from 2.39–2.42 Å. There are four inequivalent B+1.50- sites. In the first B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four equivalent Gd3+, two equivalent Mo3+, and three B+1.50- atoms. There are a spread of B–B bond distances ranging from 1.83–1.88 Å. In the second B+1.50- site, B+1.50- is bonded in a 3-coordinate geometry to four equivalent Gd3+, two equivalent Mo3+, and three B+1.50- atoms. There is one shorter (1.79 Å) and one longer (1.80 Å) B–B bond length. In the third B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to two equivalent Gd3+, four equivalent Mo3+, and three B+1.50- atoms. There is one shorter (1.77 Å) and one longer (1.79 Å) B–B bond length. In the fourth B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four equivalent Gd3+, two equivalent Mo3+, and three B+1.50- atoms.},
doi = {10.17188/1672521},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}