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Title: 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; 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; Mn6Ni16As7; As-Mn-Ni
OSTI Identifier:
1197070
DOI:
https://doi.org/10.17188/1197070

Citation Formats

The Materials Project. Materials Data on Mn6Ni16As7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1197070.
The Materials Project. Materials Data on Mn6Ni16As7 by Materials Project. United States. doi:https://doi.org/10.17188/1197070
The Materials Project. 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:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1197070,
title = {Materials Data on Mn6Ni16As7 by Materials Project},
author = {The 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}
}