Materials Data on Bi2WO8 by Materials Project
WBi2O8 crystallizes in the triclinic P1 space group. The structure is three-dimensional. W6+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of W–O bond distances ranging from 1.76–2.31 Å. There are two inequivalent Bi5+ sites. In the first Bi5+ site, Bi5+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Bi–O bond distances ranging from 2.11–2.30 Å. In the second Bi5+ site, Bi5+ is bonded in a distorted octahedral geometry to six O2- atoms. There are a spread of Bi–O bond distances ranging from 2.13–2.26 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one W6+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one W6+ and two Bi5+ atoms. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to one W6+ and one Bi5+ atom. In the fourth O2- site, O2- is bonded in a water-like geometry to two Bi5+ atoms. In the fifth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one W6+ and two Bi5+ atoms. In the sixth O2- site, O2- is bonded in a water-like geometry to two Bi5+ atoms. In the seventh O2- site, O2- is bonded in a 3-coordinate geometry to one W6+ and two Bi5+ atoms. In the eighth O2- site, O2- is bonded in a bent 120 degrees geometry to one W6+ and one Bi5+ 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:
- 1206990
- Report Number(s):
- mp-35397
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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