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Title: Materials Data on CaGa3Ni2 by Materials Project

Abstract

CaNi2Ga3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Ca is bonded in a 7-coordinate geometry to four equivalent Ni and eleven Ga atoms. All Ca–Ni bond lengths are 3.34 Å. There are a spread of Ca–Ga bond distances ranging from 3.11–3.50 Å. Ni is bonded in a 10-coordinate geometry to two equivalent Ca, two equivalent Ni, and six Ga atoms. Both Ni–Ni bond lengths are 2.58 Å. There are a spread of Ni–Ga bond distances ranging from 2.39–2.56 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 11-coordinate geometry to four equivalent Ca, four equivalent Ni, and three Ga atoms. There are one shorter (2.57 Å) and two longer (2.89 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 11-coordinate geometry to three equivalent Ca, four equivalent Ni, and four Ga atoms. Both Ga–Ga bond lengths are 2.70 Å.

Publication Date:
Other Number(s):
mp-11431
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; CaGa3Ni2; Ca-Ga-Ni
OSTI Identifier:
1187825
DOI:
https://doi.org/10.17188/1187825

Citation Formats

The Materials Project. Materials Data on CaGa3Ni2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1187825.
The Materials Project. Materials Data on CaGa3Ni2 by Materials Project. United States. doi:https://doi.org/10.17188/1187825
The Materials Project. 2020. "Materials Data on CaGa3Ni2 by Materials Project". United States. doi:https://doi.org/10.17188/1187825. https://www.osti.gov/servlets/purl/1187825. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1187825,
title = {Materials Data on CaGa3Ni2 by Materials Project},
author = {The Materials Project},
abstractNote = {CaNi2Ga3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Ca is bonded in a 7-coordinate geometry to four equivalent Ni and eleven Ga atoms. All Ca–Ni bond lengths are 3.34 Å. There are a spread of Ca–Ga bond distances ranging from 3.11–3.50 Å. Ni is bonded in a 10-coordinate geometry to two equivalent Ca, two equivalent Ni, and six Ga atoms. Both Ni–Ni bond lengths are 2.58 Å. There are a spread of Ni–Ga bond distances ranging from 2.39–2.56 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 11-coordinate geometry to four equivalent Ca, four equivalent Ni, and three Ga atoms. There are one shorter (2.57 Å) and two longer (2.89 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 11-coordinate geometry to three equivalent Ca, four equivalent Ni, and four Ga atoms. Both Ga–Ga bond lengths are 2.70 Å.},
doi = {10.17188/1187825},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}