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Title: Materials Data on Mn6BP by Materials Project

Abstract

Mn6BP crystallizes in the monoclinic C2 space group. The structure is three-dimensional. there are six inequivalent Mn sites. In the first Mn site, Mn is bonded in a 4-coordinate geometry to two equivalent B and two equivalent P atoms. Both Mn–B bond lengths are 2.21 Å. There are one shorter (2.28 Å) and one longer (2.29 Å) Mn–P bond lengths. In the second Mn site, Mn is bonded in a 4-coordinate geometry to two equivalent B and two equivalent P atoms. There are one shorter (2.20 Å) and one longer (2.22 Å) Mn–B bond lengths. There are one shorter (2.22 Å) and one longer (2.26 Å) Mn–P bond lengths. In the third Mn site, Mn is bonded in a 3-coordinate geometry to two equivalent B and one P atom. There are one shorter (2.14 Å) and one longer (2.34 Å) Mn–B bond lengths. The Mn–P bond length is 2.27 Å. In the fourth Mn site, Mn is bonded in a 3-coordinate geometry to one B and two equivalent P atoms. The Mn–B bond length is 2.21 Å. There are one shorter (2.23 Å) and one longer (2.32 Å) Mn–P bond lengths. In the fifth Mn site, Mn is bonded inmore » a distorted water-like geometry to one B and one P atom. The Mn–B bond length is 2.16 Å. The Mn–P bond length is 2.31 Å. In the sixth Mn site, Mn is bonded in a 2-coordinate geometry to one B and one P atom. The Mn–B bond length is 2.23 Å. The Mn–P bond length is 2.33 Å. B is bonded in a 9-coordinate geometry to nine Mn atoms. P is bonded in a 9-coordinate geometry to nine Mn atoms.« less

Publication Date:
Other Number(s):
mp-1221372
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; Mn6BP; B-Mn-P
OSTI Identifier:
1655953
DOI:
https://doi.org/10.17188/1655953

Citation Formats

The Materials Project. Materials Data on Mn6BP by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1655953.
The Materials Project. Materials Data on Mn6BP by Materials Project. United States. doi:https://doi.org/10.17188/1655953
The Materials Project. 2019. "Materials Data on Mn6BP by Materials Project". United States. doi:https://doi.org/10.17188/1655953. https://www.osti.gov/servlets/purl/1655953. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1655953,
title = {Materials Data on Mn6BP by Materials Project},
author = {The Materials Project},
abstractNote = {Mn6BP crystallizes in the monoclinic C2 space group. The structure is three-dimensional. there are six inequivalent Mn sites. In the first Mn site, Mn is bonded in a 4-coordinate geometry to two equivalent B and two equivalent P atoms. Both Mn–B bond lengths are 2.21 Å. There are one shorter (2.28 Å) and one longer (2.29 Å) Mn–P bond lengths. In the second Mn site, Mn is bonded in a 4-coordinate geometry to two equivalent B and two equivalent P atoms. There are one shorter (2.20 Å) and one longer (2.22 Å) Mn–B bond lengths. There are one shorter (2.22 Å) and one longer (2.26 Å) Mn–P bond lengths. In the third Mn site, Mn is bonded in a 3-coordinate geometry to two equivalent B and one P atom. There are one shorter (2.14 Å) and one longer (2.34 Å) Mn–B bond lengths. The Mn–P bond length is 2.27 Å. In the fourth Mn site, Mn is bonded in a 3-coordinate geometry to one B and two equivalent P atoms. The Mn–B bond length is 2.21 Å. There are one shorter (2.23 Å) and one longer (2.32 Å) Mn–P bond lengths. In the fifth Mn site, Mn is bonded in a distorted water-like geometry to one B and one P atom. The Mn–B bond length is 2.16 Å. The Mn–P bond length is 2.31 Å. In the sixth Mn site, Mn is bonded in a 2-coordinate geometry to one B and one P atom. The Mn–B bond length is 2.23 Å. The Mn–P bond length is 2.33 Å. B is bonded in a 9-coordinate geometry to nine Mn atoms. P is bonded in a 9-coordinate geometry to nine Mn atoms.},
doi = {10.17188/1655953},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}