Materials Data on Ga2CuO4 by Materials Project
CuGa2O4 is Spinel structured and crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Cu2+ is bonded to four equivalent O2- atoms to form CuO4 tetrahedra that share corners with twelve equivalent GaO6 octahedra. The corner-sharing octahedra tilt angles range from 56–60°. 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 CuO4 tetrahedra and edges with six equivalent GaO6 octahedra. There are two shorter (2.01 Å) and four longer (2.02 Å) Ga–O bond lengths. O2- is bonded to one Cu2+ and three equivalent Ga3+ atoms to form a mixture of distorted corner and edge-sharing OGa3Cu trigonal pyramids.
- Research Organization:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Contributing Organization:
- MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- OSTI ID:
- 1289014
- Report Number(s):
- mp-753397
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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