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Title: Materials Data on CaGa2Cu3(SbO6)2 by Materials Project

Abstract

CaCu3Ga2(SbO6)2 crystallizes in the cubic Pn-3 space group. The structure is three-dimensional. Ca2+ is bonded to twelve equivalent O2- atoms to form CaO12 cuboctahedra that share faces with four equivalent GaO6 octahedra and faces with four equivalent SbO6 octahedra. All Ca–O bond lengths are 2.66 Å. Cu2+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Cu–O bond lengths are 1.99 Å. Ga3+ is bonded to six equivalent O2- atoms to form GaO6 octahedra that share corners with six equivalent SbO6 octahedra and faces with two equivalent CaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 40°. All Ga–O bond lengths are 2.01 Å. Sb5+ is bonded to six equivalent O2- atoms to form SbO6 octahedra that share corners with six equivalent GaO6 octahedra and faces with two equivalent CaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 40°. All Sb–O bond lengths are 2.01 Å. O2- is bonded in a 4-coordinate geometry to one Ca2+, one Cu2+, one Ga3+, and one Sb5+ atom.

Publication Date:
Other Number(s):
mp-41331
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; CaGa2Cu3(SbO6)2; Ca-Cu-Ga-O-Sb
OSTI Identifier:
1207881
DOI:
https://doi.org/10.17188/1207881

Citation Formats

The Materials Project. Materials Data on CaGa2Cu3(SbO6)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1207881.
The Materials Project. Materials Data on CaGa2Cu3(SbO6)2 by Materials Project. United States. doi:https://doi.org/10.17188/1207881
The Materials Project. 2020. "Materials Data on CaGa2Cu3(SbO6)2 by Materials Project". United States. doi:https://doi.org/10.17188/1207881. https://www.osti.gov/servlets/purl/1207881. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1207881,
title = {Materials Data on CaGa2Cu3(SbO6)2 by Materials Project},
author = {The Materials Project},
abstractNote = {CaCu3Ga2(SbO6)2 crystallizes in the cubic Pn-3 space group. The structure is three-dimensional. Ca2+ is bonded to twelve equivalent O2- atoms to form CaO12 cuboctahedra that share faces with four equivalent GaO6 octahedra and faces with four equivalent SbO6 octahedra. All Ca–O bond lengths are 2.66 Å. Cu2+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Cu–O bond lengths are 1.99 Å. Ga3+ is bonded to six equivalent O2- atoms to form GaO6 octahedra that share corners with six equivalent SbO6 octahedra and faces with two equivalent CaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 40°. All Ga–O bond lengths are 2.01 Å. Sb5+ is bonded to six equivalent O2- atoms to form SbO6 octahedra that share corners with six equivalent GaO6 octahedra and faces with two equivalent CaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 40°. All Sb–O bond lengths are 2.01 Å. O2- is bonded in a 4-coordinate geometry to one Ca2+, one Cu2+, one Ga3+, and one Sb5+ atom.},
doi = {10.17188/1207881},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}