Materials Data on W3O8 by Materials Project
W3O8 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. there are two inequivalent W+5.33+ sites. In the first W+5.33+ site, W+5.33+ is bonded to seven O2- atoms to form WO7 pentagonal bipyramids that share corners with two equivalent WO6 octahedra, corners with three equivalent WO7 pentagonal bipyramids, an edgeedge with one WO6 octahedra, and edges with two equivalent WO7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 44°. There are a spread of W–O bond distances ranging from 1.93–2.13 Å. In the second W+5.33+ site, W+5.33+ is bonded to six O2- atoms to form WO6 octahedra that share corners with two equivalent WO6 octahedra, corners with four equivalent WO7 pentagonal bipyramids, and edges with two equivalent WO7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 0°. There is two shorter (1.93 Å) and four longer (2.02 Å) W–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to three W+5.33+ atoms. In the second O2- site, O2- is bonded in a linear geometry to two equivalent W+5.33+ atoms. In the third O2- site, O2- is bonded in a linear geometry to two equivalent W+5.33+ atoms. In the fourth O2- site, O2- is bonded in a linear geometry to two equivalent W+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:
- 1193849
- Report Number(s):
- mp-19066
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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