U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on CaCu3(GeO3)4 by Materials Project
Abstract
CaCu3(GeO3)4 crystallizes in the cubic Im-3 space group. The structure is three-dimensional. Ca2+ is bonded to twelve equivalent O2- atoms to form CaO12 cuboctahedra that share faces with eight equivalent GeO6 octahedra. All Ca–O bond lengths are 2.58 Å. Cu2+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Cu–O bond lengths are 1.98 Å. Ge4+ is bonded to six equivalent O2- atoms to form GeO6 octahedra that share corners with six equivalent GeO6 octahedra and faces with two equivalent CaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 37°. All Ge–O bond lengths are 1.93 Å. O2- is bonded in a 3-coordinate geometry to one Ca2+, one Cu2+, and two equivalent Ge4+ atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-17599
- 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; CaCu3(GeO3)4; Ca-Cu-Ge-O
- OSTI Identifier:
- 1192587
- DOI:
- https://doi.org/10.17188/1192587
Citation Formats
The Materials Project. Materials Data on CaCu3(GeO3)4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1192587.
The Materials Project. Materials Data on CaCu3(GeO3)4 by Materials Project. United States. doi:https://doi.org/10.17188/1192587
The Materials Project. 2020.
"Materials Data on CaCu3(GeO3)4 by Materials Project". United States. doi:https://doi.org/10.17188/1192587. https://www.osti.gov/servlets/purl/1192587. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1192587,
title = {Materials Data on CaCu3(GeO3)4 by Materials Project},
author = {The Materials Project},
abstractNote = {CaCu3(GeO3)4 crystallizes in the cubic Im-3 space group. The structure is three-dimensional. Ca2+ is bonded to twelve equivalent O2- atoms to form CaO12 cuboctahedra that share faces with eight equivalent GeO6 octahedra. All Ca–O bond lengths are 2.58 Å. Cu2+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Cu–O bond lengths are 1.98 Å. Ge4+ is bonded to six equivalent O2- atoms to form GeO6 octahedra that share corners with six equivalent GeO6 octahedra and faces with two equivalent CaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 37°. All Ge–O bond lengths are 1.93 Å. O2- is bonded in a 3-coordinate geometry to one Ca2+, one Cu2+, and two equivalent Ge4+ atoms.},
doi = {10.17188/1192587},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
Save to My Library
You must Sign In or Create an Account in order to save documents to your library.