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Title: Materials Data on Mn3B4Mo3 by Materials Project

Abstract

Mo3Mn3B4 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are two inequivalent Mo2+ sites. In the first Mo2+ site, Mo2+ is bonded in a distorted hexagonal planar geometry to six B3- atoms. There are two shorter (2.30 Å) and four longer (2.32 Å) Mo–B bond lengths. In the second Mo2+ site, Mo2+ is bonded in a distorted hexagonal planar geometry to six B3- atoms. There are four shorter (2.31 Å) and two longer (2.34 Å) Mo–B bond lengths. There are two inequivalent Mn2+ sites. In the first Mn2+ site, Mn2+ is bonded in a rectangular see-saw-like geometry to four B3- atoms. There are a spread of Mn–B bond distances ranging from 2.20–2.39 Å. In the second Mn2+ site, Mn2+ is bonded in a distorted hexagonal planar geometry to six B3- atoms. There are four shorter (2.21 Å) and two longer (2.22 Å) Mn–B bond lengths. There are three inequivalent B3- sites. In the first B3- site, B3- is bonded in a 9-coordinate geometry to six Mo2+, two equivalent Mn2+, and one B3- atom. The B–B bond length is 1.93 Å. In the second B3- site, B3- is bonded in a 9-coordinate geometry to four equivalent Mo2+,more » four Mn2+, and one B3- atom. In the third B3- site, B3- is bonded in a 9-coordinate geometry to four Mo2+, four Mn2+, and one B3- atom. The B–B bond length is 1.81 Å.« less

Publication Date:
Other Number(s):
mp-1221842
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; Mn3B4Mo3; B-Mn-Mo
OSTI Identifier:
1665743
DOI:
https://doi.org/10.17188/1665743

Citation Formats

The Materials Project. Materials Data on Mn3B4Mo3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1665743.
The Materials Project. Materials Data on Mn3B4Mo3 by Materials Project. United States. doi:https://doi.org/10.17188/1665743
The Materials Project. 2020. "Materials Data on Mn3B4Mo3 by Materials Project". United States. doi:https://doi.org/10.17188/1665743. https://www.osti.gov/servlets/purl/1665743. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1665743,
title = {Materials Data on Mn3B4Mo3 by Materials Project},
author = {The Materials Project},
abstractNote = {Mo3Mn3B4 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are two inequivalent Mo2+ sites. In the first Mo2+ site, Mo2+ is bonded in a distorted hexagonal planar geometry to six B3- atoms. There are two shorter (2.30 Å) and four longer (2.32 Å) Mo–B bond lengths. In the second Mo2+ site, Mo2+ is bonded in a distorted hexagonal planar geometry to six B3- atoms. There are four shorter (2.31 Å) and two longer (2.34 Å) Mo–B bond lengths. There are two inequivalent Mn2+ sites. In the first Mn2+ site, Mn2+ is bonded in a rectangular see-saw-like geometry to four B3- atoms. There are a spread of Mn–B bond distances ranging from 2.20–2.39 Å. In the second Mn2+ site, Mn2+ is bonded in a distorted hexagonal planar geometry to six B3- atoms. There are four shorter (2.21 Å) and two longer (2.22 Å) Mn–B bond lengths. There are three inequivalent B3- sites. In the first B3- site, B3- is bonded in a 9-coordinate geometry to six Mo2+, two equivalent Mn2+, and one B3- atom. The B–B bond length is 1.93 Å. In the second B3- site, B3- is bonded in a 9-coordinate geometry to four equivalent Mo2+, four Mn2+, and one B3- atom. In the third B3- site, B3- is bonded in a 9-coordinate geometry to four Mo2+, four Mn2+, and one B3- atom. The B–B bond length is 1.81 Å.},
doi = {10.17188/1665743},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}