U.S. Department of EnergyOffice of Scientific and Technical Information
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.
- Authors:
- Publication Date:
- Other Number(s):
- mp-41331
- 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; 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}
}