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Title: Materials Data on CaSiNi2 by Materials Project

Abstract

CaNi2Si crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ca2+ is bonded in a 6-coordinate geometry to six equivalent Si4- atoms. All Ca–Si bond lengths are 3.37 Å. Ni1+ is bonded in a trigonal planar geometry to three equivalent Si4- atoms. All Ni–Si bond lengths are 2.34 Å. Si4- is bonded to six equivalent Ca2+ and six equivalent Ni1+ atoms to form a mixture of distorted corner and face-sharing SiCa6Ni6 cuboctahedra.

Authors:
Publication Date:
Other Number(s):
mp-10797
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; CaSiNi2; Ca-Ni-Si
OSTI Identifier:
1187369
DOI:
https://doi.org/10.17188/1187369

Citation Formats

The Materials Project. Materials Data on CaSiNi2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1187369.
The Materials Project. Materials Data on CaSiNi2 by Materials Project. United States. doi:https://doi.org/10.17188/1187369
The Materials Project. 2020. "Materials Data on CaSiNi2 by Materials Project". United States. doi:https://doi.org/10.17188/1187369. https://www.osti.gov/servlets/purl/1187369. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1187369,
title = {Materials Data on CaSiNi2 by Materials Project},
author = {The Materials Project},
abstractNote = {CaNi2Si crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ca2+ is bonded in a 6-coordinate geometry to six equivalent Si4- atoms. All Ca–Si bond lengths are 3.37 Å. Ni1+ is bonded in a trigonal planar geometry to three equivalent Si4- atoms. All Ni–Si bond lengths are 2.34 Å. Si4- is bonded to six equivalent Ca2+ and six equivalent Ni1+ atoms to form a mixture of distorted corner and face-sharing SiCa6Ni6 cuboctahedra.},
doi = {10.17188/1187369},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}