Materials Data on V2Re2O11 by Materials Project
V2Re2O11 crystallizes in the triclinic P1 space group. The structure is two-dimensional and consists of two V2Re2O11 sheets oriented in the (0, 0, 1) direction. there are two inequivalent V5+ sites. In the first V5+ site, V5+ is bonded to four O2- atoms to form distorted VO4 trigonal pyramids that share a cornercorner with one VO4 tetrahedra and corners with three ReO5 trigonal bipyramids. There are a spread of V–O bond distances ranging from 1.63–2.02 Å. In the second V5+ site, V5+ is bonded to four O2- atoms to form VO4 tetrahedra that share corners with three ReO5 trigonal bipyramids and a cornercorner with one VO4 trigonal pyramid. There are a spread of V–O bond distances ranging from 1.61–1.97 Å. There are two inequivalent Re6+ sites. In the first Re6+ site, Re6+ is bonded to five O2- atoms to form distorted ReO5 trigonal bipyramids that share a cornercorner with one VO4 tetrahedra, a cornercorner with one ReO5 trigonal bipyramid, and corners with two equivalent VO4 trigonal pyramids. There are a spread of Re–O bond distances ranging from 1.74–2.17 Å. In the second Re6+ site, Re6+ is bonded to five O2- atoms to form distorted ReO5 trigonal bipyramids that share corners with two equivalent VO4 tetrahedra, a cornercorner with one ReO5 trigonal bipyramid, and a cornercorner with one VO4 trigonal pyramid. There are a spread of Re–O bond distances ranging from 1.71–2.17 Å. There are eleven inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one V5+ atom. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one V5+ and one Re6+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one V5+ atom. In the fourth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two Re6+ atoms. In the fifth O2- site, O2- is bonded in a single-bond geometry to one Re6+ atom. In the sixth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one V5+ and one Re6+ atom. In the seventh O2- site, O2- is bonded in a bent 150 degrees geometry to one V5+ and one Re6+ atom. In the eighth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one V5+ and one Re6+ atom. In the ninth O2- site, O2- is bonded in a distorted trigonal planar geometry to two V5+ and one Re6+ atom. In the tenth O2- site, O2- is bonded in a single-bond geometry to one Re6+ atom. In the eleventh O2- site, O2- is bonded in a single-bond geometry to one Re6+ 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:
- 1285775
- Report Number(s):
- mp-704848
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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