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Title: Materials Data on LaCuSi2Ni by Materials Project

Abstract

LaNiCuSi2 crystallizes in the tetragonal I-4m2 space group. The structure is three-dimensional. La3+ is bonded in a distorted body-centered cubic geometry to eight equivalent Si4- atoms. All La–Si bond lengths are 3.17 Å. Ni4+ is bonded to four equivalent Si4- atoms to form NiSi4 tetrahedra that share corners with four equivalent NiSi4 tetrahedra and edges with four equivalent CuSi4 tetrahedra. All Ni–Si bond lengths are 2.40 Å. Cu1+ is bonded to four equivalent Si4- atoms to form CuSi4 tetrahedra that share corners with four equivalent CuSi4 tetrahedra and edges with four equivalent NiSi4 tetrahedra. All Cu–Si bond lengths are 2.40 Å. Si4- is bonded in a 9-coordinate geometry to four equivalent La3+, two equivalent Ni4+, two equivalent Cu1+, and one Si4- atom. The Si–Si bond length is 2.47 Å.

Publication Date:
Other Number(s):
mp-1222926
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; LaCuSi2Ni; Cu-La-Ni-Si
OSTI Identifier:
1744640
DOI:
https://doi.org/10.17188/1744640

Citation Formats

The Materials Project. Materials Data on LaCuSi2Ni by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1744640.
The Materials Project. Materials Data on LaCuSi2Ni by Materials Project. United States. doi:https://doi.org/10.17188/1744640
The Materials Project. 2020. "Materials Data on LaCuSi2Ni by Materials Project". United States. doi:https://doi.org/10.17188/1744640. https://www.osti.gov/servlets/purl/1744640. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1744640,
title = {Materials Data on LaCuSi2Ni by Materials Project},
author = {The Materials Project},
abstractNote = {LaNiCuSi2 crystallizes in the tetragonal I-4m2 space group. The structure is three-dimensional. La3+ is bonded in a distorted body-centered cubic geometry to eight equivalent Si4- atoms. All La–Si bond lengths are 3.17 Å. Ni4+ is bonded to four equivalent Si4- atoms to form NiSi4 tetrahedra that share corners with four equivalent NiSi4 tetrahedra and edges with four equivalent CuSi4 tetrahedra. All Ni–Si bond lengths are 2.40 Å. Cu1+ is bonded to four equivalent Si4- atoms to form CuSi4 tetrahedra that share corners with four equivalent CuSi4 tetrahedra and edges with four equivalent NiSi4 tetrahedra. All Cu–Si bond lengths are 2.40 Å. Si4- is bonded in a 9-coordinate geometry to four equivalent La3+, two equivalent Ni4+, two equivalent Cu1+, and one Si4- atom. The Si–Si bond length is 2.47 Å.},
doi = {10.17188/1744640},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}