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Title: Materials Data on Mn3B4W by Materials Project

Abstract

WMn3B4 crystallizes in the monoclinic Pm space group. The structure is three-dimensional. W6+ is bonded in a 7-coordinate geometry to seven B3- atoms. There are a spread of W–B bond distances ranging from 2.28–2.32 Å. There are three inequivalent Mn2+ sites. In the first Mn2+ site, Mn2+ is bonded in a 7-coordinate geometry to seven B3- atoms. There are a spread of Mn–B bond distances ranging from 2.19–2.29 Å. In the second Mn2+ site, Mn2+ is bonded in a 7-coordinate geometry to seven B3- atoms. There are a spread of Mn–B bond distances ranging from 2.16–2.37 Å. In the third Mn2+ site, Mn2+ is bonded in a 7-coordinate geometry to seven B3- atoms. There are a spread of Mn–B bond distances ranging from 2.22–2.38 Å. There are four inequivalent B3- sites. In the first B3- site, B3- is bonded in a 9-coordinate geometry to two equivalent W6+, five Mn2+, and two equivalent B3- atoms. Both B–B bond lengths are 1.81 Å. In the second B3- site, B3- is bonded in a 9-coordinate geometry to one W6+, six Mn2+, and two equivalent B3- atoms. Both B–B bond lengths are 1.81 Å. In the third B3- site, B3- is bonded in amore » 9-coordinate geometry to two equivalent W6+, five Mn2+, and two equivalent B3- atoms. In the fourth B3- site, B3- is bonded in a 9-coordinate geometry to two equivalent W6+, five Mn2+, and two equivalent B3- atoms.« less

Publication Date:
Other Number(s):
mp-1221797
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; Mn3B4W; B-Mn-W
OSTI Identifier:
1685465
DOI:
https://doi.org/10.17188/1685465

Citation Formats

The Materials Project. Materials Data on Mn3B4W by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1685465.
The Materials Project. Materials Data on Mn3B4W by Materials Project. United States. doi:https://doi.org/10.17188/1685465
The Materials Project. 2020. "Materials Data on Mn3B4W by Materials Project". United States. doi:https://doi.org/10.17188/1685465. https://www.osti.gov/servlets/purl/1685465. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1685465,
title = {Materials Data on Mn3B4W by Materials Project},
author = {The Materials Project},
abstractNote = {WMn3B4 crystallizes in the monoclinic Pm space group. The structure is three-dimensional. W6+ is bonded in a 7-coordinate geometry to seven B3- atoms. There are a spread of W–B bond distances ranging from 2.28–2.32 Å. There are three inequivalent Mn2+ sites. In the first Mn2+ site, Mn2+ is bonded in a 7-coordinate geometry to seven B3- atoms. There are a spread of Mn–B bond distances ranging from 2.19–2.29 Å. In the second Mn2+ site, Mn2+ is bonded in a 7-coordinate geometry to seven B3- atoms. There are a spread of Mn–B bond distances ranging from 2.16–2.37 Å. In the third Mn2+ site, Mn2+ is bonded in a 7-coordinate geometry to seven B3- atoms. There are a spread of Mn–B bond distances ranging from 2.22–2.38 Å. There are four inequivalent B3- sites. In the first B3- site, B3- is bonded in a 9-coordinate geometry to two equivalent W6+, five Mn2+, and two equivalent B3- atoms. Both B–B bond lengths are 1.81 Å. In the second B3- site, B3- is bonded in a 9-coordinate geometry to one W6+, six Mn2+, and two equivalent B3- atoms. Both B–B bond lengths are 1.81 Å. In the third B3- site, B3- is bonded in a 9-coordinate geometry to two equivalent W6+, five Mn2+, and two equivalent B3- atoms. In the fourth B3- site, B3- is bonded in a 9-coordinate geometry to two equivalent W6+, five Mn2+, and two equivalent B3- atoms.},
doi = {10.17188/1685465},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}