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Title: Materials Data on Ti6Si7Ni16 by Materials Project

Abstract

Ni16Ti6Si7 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ti2+ is bonded in a 4-coordinate geometry to four equivalent Si4- atoms. All Ti–Si bond lengths are 2.84 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 2.28 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 (2.28 Å) and three longer (2.47 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 Ti2+ and eight Ni1+ atoms to form a mixture of corner and face-sharing SiTi4Ni8 cuboctahedra.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-3337
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; Ti6Si7Ni16; Ni-Si-Ti
OSTI Identifier:
1206569
DOI:
10.17188/1206569

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Ti6Si7Ni16 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1206569.
Persson, Kristin, & Project, Materials. Materials Data on Ti6Si7Ni16 by Materials Project. United States. doi:10.17188/1206569.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Ti6Si7Ni16 by Materials Project". United States. doi:10.17188/1206569. https://www.osti.gov/servlets/purl/1206569. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1206569,
title = {Materials Data on Ti6Si7Ni16 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Ni16Ti6Si7 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ti2+ is bonded in a 4-coordinate geometry to four equivalent Si4- atoms. All Ti–Si bond lengths are 2.84 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 2.28 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 (2.28 Å) and three longer (2.47 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 Ti2+ and eight Ni1+ atoms to form a mixture of corner and face-sharing SiTi4Ni8 cuboctahedra.},
doi = {10.17188/1206569},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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