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Title: Materials Data on Mn3(CuBi)4 by Materials Project

Abstract

Mn3Cu4Bi4 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Mn is bonded in a distorted q6 geometry to four equivalent Cu and six Bi atoms. All Mn–Cu bond lengths are 2.73 Å. There are two shorter (3.01 Å) and four longer (3.04 Å) Mn–Bi bond lengths. Cu is bonded in a 10-coordinate geometry to three equivalent Mn, three equivalent Cu, and four Bi atoms. All Cu–Cu bond lengths are 2.65 Å. There are three shorter (2.82 Å) and one longer (2.93 Å) Cu–Bi bond lengths. There are two inequivalent Bi sites. In the first Bi site, Bi is bonded in a 8-coordinate geometry to four equivalent Mn and four equivalent Cu atoms. In the second Bi site, Bi is bonded in a distorted q6 geometry to six equivalent Mn and four equivalent Cu atoms.

Authors:
Publication Date:
Other Number(s):
mp-30450
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; Mn3(CuBi)4; Bi-Cu-Mn
OSTI Identifier:
1204858
DOI:
https://doi.org/10.17188/1204858

Citation Formats

The Materials Project. Materials Data on Mn3(CuBi)4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1204858.
The Materials Project. Materials Data on Mn3(CuBi)4 by Materials Project. United States. doi:https://doi.org/10.17188/1204858
The Materials Project. 2020. "Materials Data on Mn3(CuBi)4 by Materials Project". United States. doi:https://doi.org/10.17188/1204858. https://www.osti.gov/servlets/purl/1204858. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1204858,
title = {Materials Data on Mn3(CuBi)4 by Materials Project},
author = {The Materials Project},
abstractNote = {Mn3Cu4Bi4 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Mn is bonded in a distorted q6 geometry to four equivalent Cu and six Bi atoms. All Mn–Cu bond lengths are 2.73 Å. There are two shorter (3.01 Å) and four longer (3.04 Å) Mn–Bi bond lengths. Cu is bonded in a 10-coordinate geometry to three equivalent Mn, three equivalent Cu, and four Bi atoms. All Cu–Cu bond lengths are 2.65 Å. There are three shorter (2.82 Å) and one longer (2.93 Å) Cu–Bi bond lengths. There are two inequivalent Bi sites. In the first Bi site, Bi is bonded in a 8-coordinate geometry to four equivalent Mn and four equivalent Cu atoms. In the second Bi site, Bi is bonded in a distorted q6 geometry to six equivalent Mn and four equivalent Cu atoms.},
doi = {10.17188/1204858},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}