Materials Data on HfV2O7 by Materials Project
HfV2O7 crystallizes in the cubic Pa-3 space group. The structure is three-dimensional. Hf4+ is bonded to six equivalent O2- atoms to form HfO6 octahedra that share corners with six equivalent VO4 tetrahedra. All Hf–O bond lengths are 2.07 Å. V5+ is bonded to four O2- atoms to form VO4 tetrahedra that share corners with three equivalent HfO6 octahedra and a cornercorner with one VO4 tetrahedra. The corner-sharing octahedral tilt angles are 16°. There is three shorter (1.72 Å) and one longer (1.79 Å) V–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to one Hf4+ and one V5+ atom. In the second O2- site, O2- is bonded in a linear geometry to two equivalent V5+ 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:
- 1262692
- Report Number(s):
- mp-505679
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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