Materials Data on V4ZnO10 by Materials Project
V4ZnO10 crystallizes in the orthorhombic Pmm2 space group. The structure is three-dimensional. there are two inequivalent V+4.50+ sites. In the first V+4.50+ site, V+4.50+ is bonded to five O2- atoms to form a mixture of distorted corner and edge-sharing VO5 trigonal bipyramids. There are a spread of V–O bond distances ranging from 1.61–2.08 Å. In the second V+4.50+ site, V+4.50+ is bonded to five O2- atoms to form a mixture of distorted corner and edge-sharing VO5 trigonal bipyramids. There are a spread of V–O bond distances ranging from 1.68–2.01 Å. Zn2+ is bonded in a 2-coordinate geometry to eight O2- atoms. There are a spread of Zn–O bond distances ranging from 2.09–2.53 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent V+4.50+ and two equivalent Zn2+ atoms to form corner-sharing OV2Zn2 tetrahedra. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent V+4.50+ atoms. In the third O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three V+4.50+ atoms. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to three V+4.50+ and one Zn2+ atom. In the fifth O2- site, O2- is bonded in a single-bond geometry to one V+4.50+ atom. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to one V+4.50+ and two equivalent Zn2+ 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:
- 1319667
- Report Number(s):
- mvc-16056
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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