Materials Data on Re3O8 by Materials Project
Re3O8 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Re+5.33+ sites. In the first Re+5.33+ site, Re+5.33+ is bonded to six O2- atoms to form corner-sharing ReO6 octahedra. The corner-sharing octahedra tilt angles range from 39–44°. There is four shorter (1.90 Å) and two longer (2.00 Å) Re–O bond length. In the second Re+5.33+ site, Re+5.33+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing ReO6 octahedra. The corner-sharing octahedra tilt angles range from 39–44°. There are a spread of Re–O bond distances ranging from 1.90–2.06 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted T-shaped geometry to three Re+5.33+ atoms. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to two Re+5.33+ atoms. In the third O2- site, O2- is bonded in an L-shaped geometry to two equivalent Re+5.33+ 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:
- 1206383
- Report Number(s):
- mp-32795
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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