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Title: Materials Data on Ca(SiNi)2 by Materials Project

Abstract

Ca(NiSi)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ca2+ is bonded in a distorted body-centered cubic geometry to eight equivalent Si4- atoms. All Ca–Si bond lengths are 3.08 Å. Ni3+ is bonded to four equivalent Si4- atoms to form a mixture of edge and corner-sharing NiSi4 tetrahedra. All Ni–Si bond lengths are 2.31 Å. Si4- is bonded in a 9-coordinate geometry to four equivalent Ca2+, four equivalent Ni3+, and one Si4- atom. The Si–Si bond length is 2.50 Å.

Publication Date:
Other Number(s):
mp-5292
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; Ca(SiNi)2; Ca-Ni-Si
OSTI Identifier:
1263184
DOI:
https://doi.org/10.17188/1263184

Citation Formats

The Materials Project. Materials Data on Ca(SiNi)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1263184.
The Materials Project. Materials Data on Ca(SiNi)2 by Materials Project. United States. doi:https://doi.org/10.17188/1263184
The Materials Project. 2020. "Materials Data on Ca(SiNi)2 by Materials Project". United States. doi:https://doi.org/10.17188/1263184. https://www.osti.gov/servlets/purl/1263184. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1263184,
title = {Materials Data on Ca(SiNi)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Ca(NiSi)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ca2+ is bonded in a distorted body-centered cubic geometry to eight equivalent Si4- atoms. All Ca–Si bond lengths are 3.08 Å. Ni3+ is bonded to four equivalent Si4- atoms to form a mixture of edge and corner-sharing NiSi4 tetrahedra. All Ni–Si bond lengths are 2.31 Å. Si4- is bonded in a 9-coordinate geometry to four equivalent Ca2+, four equivalent Ni3+, and one Si4- atom. The Si–Si bond length is 2.50 Å.},
doi = {10.17188/1263184},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}