Title: Materials Data on MnCuAs by Materials Project

Abstract

CuMnAs is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Mn2+ is bonded to five equivalent As3- atoms to form a mixture of edge and corner-sharing MnAs5 square pyramids. There are one shorter (2.49 Å) and four longer (2.64 Å) Mn–As bond lengths. Cu1+ is bonded in a 4-coordinate geometry to four equivalent As3- atoms. All Cu–As bond lengths are 2.56 Å. As3- is bonded in a 9-coordinate geometry to five equivalent Mn2+ and four equivalent Cu1+ atoms.

Publication Date:
Other Number(s):
mp-1018800
DOE Contract Number:  
AC02-05CH11231;
Research Org.:
LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Collaborations:
The Materials Project; MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE; As-Cu-Mn; crystal structure; MnCuAs
OSTI Identifier:
1350420
DOI:
https://doi.org/10.17188/1350420

Citation Formats

Materials Data on MnCuAs by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1350420.
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Materials Data on MnCuAs by Materials Project. United States. doi:https://doi.org/10.17188/1350420
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2020. "Materials Data on MnCuAs by Materials Project". United States. doi:https://doi.org/10.17188/1350420. https://www.osti.gov/servlets/purl/1350420. Pub date:Mon Jul 13 20:00:00 EDT 2020
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@article{osti_1350420,
title = {Materials Data on MnCuAs by Materials Project},
abstractNote = {CuMnAs is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Mn2+ is bonded to five equivalent As3- atoms to form a mixture of edge and corner-sharing MnAs5 square pyramids. There are one shorter (2.49 Å) and four longer (2.64 Å) Mn–As bond lengths. Cu1+ is bonded in a 4-coordinate geometry to four equivalent As3- atoms. All Cu–As bond lengths are 2.56 Å. As3- is bonded in a 9-coordinate geometry to five equivalent Mn2+ and four equivalent Cu1+ atoms.},
doi = {10.17188/1350420},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
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DOI: https://doi.org/10.17188/1350420
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