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Title: Materials Data on SmMnB4 by Materials Project

Abstract

SmMnB4 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. Sm3+ is bonded in a 4-coordinate geometry to fourteen B+1.50- atoms. There are a spread of Sm–B bond distances ranging from 2.64–2.76 Å. Mn3+ is bonded in a 10-coordinate geometry to ten B+1.50- atoms. There are a spread of Mn–B bond distances ranging from 2.27–2.31 Å. There are four inequivalent B+1.50- sites. In the first B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four equivalent Sm3+, two equivalent Mn3+, and three B+1.50- atoms. There are a spread of B–B bond distances ranging from 1.74–1.90 Å. In the second B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to two equivalent Sm3+, four equivalent Mn3+, and three B+1.50- atoms. There is one shorter (1.70 Å) and one longer (1.74 Å) B–B bond length. In the third B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four equivalent Sm3+, two equivalent Mn3+, and three B+1.50- atoms. The B–B bond length is 1.80 Å. In the fourth B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four equivalent Sm3+, two equivalent Mn3+, and three B+1.50- atoms. The B–B bond length is 1.84 Å.

Authors:
Publication Date:
Other Number(s):
mp-22785
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; SmMnB4; B-Mn-Sm
OSTI Identifier:
1198975
DOI:
https://doi.org/10.17188/1198975

Citation Formats

The Materials Project. Materials Data on SmMnB4 by Materials Project. United States: N. p., 2017. Web. doi:10.17188/1198975.
The Materials Project. Materials Data on SmMnB4 by Materials Project. United States. doi:https://doi.org/10.17188/1198975
The Materials Project. 2017. "Materials Data on SmMnB4 by Materials Project". United States. doi:https://doi.org/10.17188/1198975. https://www.osti.gov/servlets/purl/1198975. Pub date:Wed May 10 00:00:00 EDT 2017
@article{osti_1198975,
title = {Materials Data on SmMnB4 by Materials Project},
author = {The Materials Project},
abstractNote = {SmMnB4 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. Sm3+ is bonded in a 4-coordinate geometry to fourteen B+1.50- atoms. There are a spread of Sm–B bond distances ranging from 2.64–2.76 Å. Mn3+ is bonded in a 10-coordinate geometry to ten B+1.50- atoms. There are a spread of Mn–B bond distances ranging from 2.27–2.31 Å. There are four inequivalent B+1.50- sites. In the first B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four equivalent Sm3+, two equivalent Mn3+, and three B+1.50- atoms. There are a spread of B–B bond distances ranging from 1.74–1.90 Å. In the second B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to two equivalent Sm3+, four equivalent Mn3+, and three B+1.50- atoms. There is one shorter (1.70 Å) and one longer (1.74 Å) B–B bond length. In the third B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four equivalent Sm3+, two equivalent Mn3+, and three B+1.50- atoms. The B–B bond length is 1.80 Å. In the fourth B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four equivalent Sm3+, two equivalent Mn3+, and three B+1.50- atoms. The B–B bond length is 1.84 Å.},
doi = {10.17188/1198975},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {5}
}