Materials Data on WO3 by Materials Project
WO3 crystallizes in the hexagonal P6_3cm space group. The structure is two-dimensional and consists of two WO3 sheets oriented in the (0, 0, 1) direction. W6+ is bonded to five O2- atoms to form corner-sharing WO5 trigonal bipyramids. There are a spread of W–O bond distances ranging from 1.80–2.08 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal planar geometry to three equivalent W6+ atoms. In the second O2- site, O2- is bonded in a trigonal planar geometry to three equivalent W6+ atoms. In the third O2- site, O2- is bonded in a single-bond geometry to one W6+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one W6+ atom.
- Research Organization:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Contributing Organization:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231
- OSTI ID:
- 1319012
- Report Number(s):
- mvc-13988
- Country of Publication:
- United States
- Language:
- English
Similar Records
Materials Data on WO3 by Materials Project
Materials Data on SmBiW2O9 by Materials Project
Materials Data on WO3 by Materials Project
Dataset
·
Thu Jul 23 00:00:00 EDT 2020
·
OSTI ID:1318204
Materials Data on SmBiW2O9 by Materials Project
Dataset
·
Fri Jan 11 23:00:00 EST 2019
·
OSTI ID:1679807
Materials Data on WO3 by Materials Project
Dataset
·
Mon Jul 20 00:00:00 EDT 2020
·
OSTI ID:1206339