U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Mn6Ni16As7 by Materials Project
Abstract
Mn6Ni16As7 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Mn is bonded in a 4-coordinate geometry to four equivalent Mn, eight Ni, and four equivalent As atoms. All Mn–Mn bond lengths are 3.01 Å. There are four shorter (2.64 Å) and four longer (2.90 Å) Mn–Ni bond lengths. All Mn–As bond lengths are 2.92 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 4-coordinate geometry to three equivalent Mn, six Ni, and four As atoms. There are three shorter (2.58 Å) and three longer (2.67 Å) Ni–Ni bond lengths. There are one shorter (2.31 Å) and three longer (2.50 Å) Ni–As bond lengths. In the second Ni site, Ni is bonded in a 3-coordinate geometry to three equivalent Mn, three equivalent Ni, and three equivalent As atoms. All Ni–As bond lengths are 2.31 Å. There are two inequivalent As sites. In the first As site, As is bonded to four equivalent Mn and eight Ni atoms to form a mixture of distorted face and corner-sharing AsMn4Ni8 cuboctahedra. In the second As site, As is bonded in a body-centered cubic geometry to eight equivalent Ni atoms.
- Publication Date:
- Other Number(s):
- mp-21628
- 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-Mn-Ni; crystal structure; Mn6Ni16As7
- OSTI Identifier:
- 1197070
- DOI:
- https://doi.org/10.17188/1197070
Citation Formats
Materials Data on Mn6Ni16As7 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1197070.
Materials Data on Mn6Ni16As7 by Materials Project. United States. doi:https://doi.org/10.17188/1197070
2020.
"Materials Data on Mn6Ni16As7 by Materials Project". United States. doi:https://doi.org/10.17188/1197070. https://www.osti.gov/servlets/purl/1197070. Pub date:Wed Jul 22 20:00:00 EDT 2020
@article{osti_1197070,
title = {Materials Data on Mn6Ni16As7 by Materials Project},
abstractNote = {Mn6Ni16As7 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Mn is bonded in a 4-coordinate geometry to four equivalent Mn, eight Ni, and four equivalent As atoms. All Mn–Mn bond lengths are 3.01 Å. There are four shorter (2.64 Å) and four longer (2.90 Å) Mn–Ni bond lengths. All Mn–As bond lengths are 2.92 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 4-coordinate geometry to three equivalent Mn, six Ni, and four As atoms. There are three shorter (2.58 Å) and three longer (2.67 Å) Ni–Ni bond lengths. There are one shorter (2.31 Å) and three longer (2.50 Å) Ni–As bond lengths. In the second Ni site, Ni is bonded in a 3-coordinate geometry to three equivalent Mn, three equivalent Ni, and three equivalent As atoms. All Ni–As bond lengths are 2.31 Å. There are two inequivalent As sites. In the first As site, As is bonded to four equivalent Mn and eight Ni atoms to form a mixture of distorted face and corner-sharing AsMn4Ni8 cuboctahedra. In the second As site, As is bonded in a body-centered cubic geometry to eight equivalent Ni atoms.},
doi = {10.17188/1197070},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}