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Title: Materials Data on Mn2B4W by Materials Project

Abstract

WMn2B4 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. W2+ is bonded to twelve B+1.50- atoms to form a mixture of edge and face-sharing WB12 cuboctahedra. There are eight shorter (2.36 Å) and four longer (2.45 Å) W–B bond lengths. Mn2+ is bonded in a 7-coordinate geometry to seven B+1.50- atoms. There are three shorter (2.13 Å) and four longer (2.22 Å) Mn–B bond lengths. There are two inequivalent B+1.50- sites. In the first B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to two equivalent W2+, five equivalent Mn2+, and two equivalent B+1.50- atoms. Both B–B bond lengths are 1.80 Å. In the second B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four equivalent W2+, two equivalent Mn2+, and three B+1.50- atoms. The B–B bond length is 1.87 Å.

Authors:
Publication Date:
Other Number(s):
mp-1077988
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; Mn2B4W; B-Mn-W
OSTI Identifier:
1685157
DOI:
https://doi.org/10.17188/1685157

Citation Formats

The Materials Project. Materials Data on Mn2B4W by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1685157.
The Materials Project. Materials Data on Mn2B4W by Materials Project. United States. doi:https://doi.org/10.17188/1685157
The Materials Project. 2020. "Materials Data on Mn2B4W by Materials Project". United States. doi:https://doi.org/10.17188/1685157. https://www.osti.gov/servlets/purl/1685157. Pub date:Sun Apr 26 00:00:00 EDT 2020
@article{osti_1685157,
title = {Materials Data on Mn2B4W by Materials Project},
author = {The Materials Project},
abstractNote = {WMn2B4 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. W2+ is bonded to twelve B+1.50- atoms to form a mixture of edge and face-sharing WB12 cuboctahedra. There are eight shorter (2.36 Å) and four longer (2.45 Å) W–B bond lengths. Mn2+ is bonded in a 7-coordinate geometry to seven B+1.50- atoms. There are three shorter (2.13 Å) and four longer (2.22 Å) Mn–B bond lengths. There are two inequivalent B+1.50- sites. In the first B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to two equivalent W2+, five equivalent Mn2+, and two equivalent B+1.50- atoms. Both B–B bond lengths are 1.80 Å. In the second B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four equivalent W2+, two equivalent Mn2+, and three B+1.50- atoms. The B–B bond length is 1.87 Å.},
doi = {10.17188/1685157},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}