Materials Data on VCuO3 by Materials Project
CuVO3 is Ilmenite structured and crystallizes in the trigonal R-3 space group. The structure is three-dimensional. V5+ is bonded to six equivalent O2- atoms to form distorted VO6 octahedra that share corners with nine equivalent CuO6 octahedra, edges with three equivalent VO6 octahedra, and a faceface with one CuO6 octahedra. The corner-sharing octahedra tilt angles range from 44–59°. There is three shorter (1.82 Å) and three longer (2.07 Å) V–O bond length. Cu1+ is bonded to six equivalent O2- atoms to form distorted CuO6 octahedra that share corners with nine equivalent VO6 octahedra, edges with three equivalent CuO6 octahedra, and a faceface with one VO6 octahedra. The corner-sharing octahedra tilt angles range from 44–59°. There are three shorter (2.04 Å) and three longer (2.28 Å) Cu–O bond lengths. O2- is bonded in a 4-coordinate geometry to two equivalent V5+ and two equivalent Cu1+ atoms.
- 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:
- 1261810
- Report Number(s):
- mp-504580
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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