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Title: Materials Data on Mn5B2P by Materials Project

Abstract

Mn5B2P crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Mn sites. In the first Mn site, Mn is bonded to three equivalent B and two equivalent P atoms to form a mixture of distorted corner, edge, and face-sharing MnB3P2 trigonal bipyramids. There are two shorter (2.16 Å) and one longer (2.19 Å) Mn–B bond lengths. Both Mn–P bond lengths are 2.35 Å. In the second Mn site, Mn is bonded in a 6-coordinate geometry to four equivalent B and two equivalent P atoms. All Mn–B bond lengths are 2.20 Å. Both Mn–P bond lengths are 2.58 Å. B is bonded in a 9-coordinate geometry to eight Mn and one B atom. The B–B bond length is 1.86 Å. P is bonded in a 10-coordinate geometry to ten Mn atoms.

Publication Date:
Other Number(s):
mp-12633
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; Mn5B2P; B-Mn-P
OSTI Identifier:
1189097
DOI:
https://doi.org/10.17188/1189097

Citation Formats

The Materials Project. Materials Data on Mn5B2P by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1189097.
The Materials Project. Materials Data on Mn5B2P by Materials Project. United States. doi:https://doi.org/10.17188/1189097
The Materials Project. 2020. "Materials Data on Mn5B2P by Materials Project". United States. doi:https://doi.org/10.17188/1189097. https://www.osti.gov/servlets/purl/1189097. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1189097,
title = {Materials Data on Mn5B2P by Materials Project},
author = {The Materials Project},
abstractNote = {Mn5B2P crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Mn sites. In the first Mn site, Mn is bonded to three equivalent B and two equivalent P atoms to form a mixture of distorted corner, edge, and face-sharing MnB3P2 trigonal bipyramids. There are two shorter (2.16 Å) and one longer (2.19 Å) Mn–B bond lengths. Both Mn–P bond lengths are 2.35 Å. In the second Mn site, Mn is bonded in a 6-coordinate geometry to four equivalent B and two equivalent P atoms. All Mn–B bond lengths are 2.20 Å. Both Mn–P bond lengths are 2.58 Å. B is bonded in a 9-coordinate geometry to eight Mn and one B atom. The B–B bond length is 1.86 Å. P is bonded in a 10-coordinate geometry to ten Mn atoms.},
doi = {10.17188/1189097},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}