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Title: Materials Data on Ca3(GaNi)4 by Materials Project

Abstract

Ca3(NiGa)4 crystallizes in the cubic I-43m space group. The structure is three-dimensional. Ca is bonded in a 12-coordinate geometry to four equivalent Ni and eight equivalent Ga atoms. All Ca–Ni bond lengths are 3.07 Å. There are four shorter (3.04 Å) and four longer (3.50 Å) Ca–Ga bond lengths. Ni is bonded in a 10-coordinate geometry to three equivalent Ca, three equivalent Ni, and four equivalent Ga atoms. All Ni–Ni bond lengths are 2.57 Å. There are one shorter (2.34 Å) and three longer (2.47 Å) Ni–Ga bond lengths. Ga is bonded in a 7-coordinate geometry to six equivalent Ca and four equivalent Ni atoms.

Publication Date:
Other Number(s):
mp-11285
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; Ca3(GaNi)4; Ca-Ga-Ni
OSTI Identifier:
1187708
DOI:
10.17188/1187708

Citation Formats

The Materials Project. Materials Data on Ca3(GaNi)4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1187708.
The Materials Project. Materials Data on Ca3(GaNi)4 by Materials Project. United States. doi:10.17188/1187708.
The Materials Project. 2020. "Materials Data on Ca3(GaNi)4 by Materials Project". United States. doi:10.17188/1187708. https://www.osti.gov/servlets/purl/1187708. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1187708,
title = {Materials Data on Ca3(GaNi)4 by Materials Project},
author = {The Materials Project},
abstractNote = {Ca3(NiGa)4 crystallizes in the cubic I-43m space group. The structure is three-dimensional. Ca is bonded in a 12-coordinate geometry to four equivalent Ni and eight equivalent Ga atoms. All Ca–Ni bond lengths are 3.07 Å. There are four shorter (3.04 Å) and four longer (3.50 Å) Ca–Ga bond lengths. Ni is bonded in a 10-coordinate geometry to three equivalent Ca, three equivalent Ni, and four equivalent Ga atoms. All Ni–Ni bond lengths are 2.57 Å. There are one shorter (2.34 Å) and three longer (2.47 Å) Ni–Ga bond lengths. Ga is bonded in a 7-coordinate geometry to six equivalent Ca and four equivalent Ni atoms.},
doi = {10.17188/1187708},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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