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Title: Materials Data on Cr6Si7Ni16 by Materials Project

Abstract

Cr6Ni16Si7 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Cr2+ is bonded in a 4-coordinate geometry to four equivalent Si4- atoms. All Cr–Si bond lengths are 2.85 Å. There are two inequivalent Ni1+ sites. In the first Ni1+ site, Ni1+ is bonded in a trigonal planar geometry to three equivalent Si4- atoms. All Ni–Si bond lengths are 2.26 Å. In the second Ni1+ site, Ni1+ is bonded to four Si4- atoms to form a mixture of corner and edge-sharing NiSi4 tetrahedra. There are one shorter (2.25 Å) and three longer (2.44 Å) Ni–Si bond lengths. There are two inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a body-centered cubic geometry to eight equivalent Ni1+ atoms. In the second Si4- site, Si4- is bonded to four equivalent Cr2+ and eight Ni1+ atoms to form a mixture of distorted corner and face-sharing SiCr4Ni8 cuboctahedra.

Authors:
Publication Date:
Other Number(s):
mp-541940
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; Cr6Si7Ni16; Cr-Ni-Si
OSTI Identifier:
1266326
DOI:
https://doi.org/10.17188/1266326

Citation Formats

The Materials Project. Materials Data on Cr6Si7Ni16 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1266326.
The Materials Project. Materials Data on Cr6Si7Ni16 by Materials Project. United States. doi:https://doi.org/10.17188/1266326
The Materials Project. 2020. "Materials Data on Cr6Si7Ni16 by Materials Project". United States. doi:https://doi.org/10.17188/1266326. https://www.osti.gov/servlets/purl/1266326. Pub date:Fri Jul 24 00:00:00 EDT 2020
@article{osti_1266326,
title = {Materials Data on Cr6Si7Ni16 by Materials Project},
author = {The Materials Project},
abstractNote = {Cr6Ni16Si7 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Cr2+ is bonded in a 4-coordinate geometry to four equivalent Si4- atoms. All Cr–Si bond lengths are 2.85 Å. There are two inequivalent Ni1+ sites. In the first Ni1+ site, Ni1+ is bonded in a trigonal planar geometry to three equivalent Si4- atoms. All Ni–Si bond lengths are 2.26 Å. In the second Ni1+ site, Ni1+ is bonded to four Si4- atoms to form a mixture of corner and edge-sharing NiSi4 tetrahedra. There are one shorter (2.25 Å) and three longer (2.44 Å) Ni–Si bond lengths. There are two inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a body-centered cubic geometry to eight equivalent Ni1+ atoms. In the second Si4- site, Si4- is bonded to four equivalent Cr2+ and eight Ni1+ atoms to form a mixture of distorted corner and face-sharing SiCr4Ni8 cuboctahedra.},
doi = {10.17188/1266326},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}