Materials Data on V3CuO8 by Materials Project
V3CuO8 crystallizes in the cubic P2_13 space group. The structure is three-dimensional. V5+ is bonded to six O2- atoms to form distorted VO6 octahedra that share corners with three equivalent CuO4 tetrahedra and edges with four equivalent VO6 octahedra. There are a spread of V–O bond distances ranging from 1.76–2.09 Å. Cu1+ is bonded to four O2- atoms to form CuO4 tetrahedra that share corners with nine equivalent VO6 octahedra. The corner-sharing octahedra tilt angles range from 56–59°. All Cu–O bond lengths are 1.96 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a water-like geometry to two equivalent V5+ atoms. In the second O2- site, O2- is bonded in a distorted T-shaped geometry to three equivalent V5+ atoms. In the third O2- site, O2- is bonded in a trigonal planar geometry to two equivalent V5+ and one Cu1+ atom. In the fourth O2- site, O2- is bonded in a distorted trigonal pyramidal geometry to three equivalent V5+ and one Cu1+ atom.
- 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:
- 1303314
- Report Number(s):
- mp-775644
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
Similar Records
Materials Data on Li4Mn3V3(CuO8)2 by Materials Project
Materials Data on LiVCuO4 by Materials Project