Materials Data on Sn(WO3)3 by Materials Project
SnW3O9 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. there are three inequivalent W+4.67+ sites. In the first W+4.67+ site, W+4.67+ is bonded to six O2- atoms to form corner-sharing WO6 octahedra. The corner-sharing octahedra tilt angles range from 0–39°. There are a spread of W–O bond distances ranging from 1.92–2.02 Å. In the second W+4.67+ site, W+4.67+ is bonded to six O2- atoms to form corner-sharing WO6 octahedra. The corner-sharing octahedra tilt angles range from 0–41°. There are a spread of W–O bond distances ranging from 1.87–2.07 Å. In the third W+4.67+ site, W+4.67+ is bonded to six O2- atoms to form corner-sharing WO6 octahedra. The corner-sharing octahedra tilt angles range from 0–41°. There are a spread of W–O bond distances ranging from 1.93–2.05 Å. Sn4+ is bonded in a 4-coordinate geometry to two O2- atoms. Both Sn–O bond lengths are 2.24 Å. There are nine inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to two equivalent W+4.67+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two W+4.67+ and one Sn4+ atom. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to two W+4.67+ atoms. In the fourth O2- site, O2- is bonded in a bent 150 degrees geometry to two W+4.67+ atoms. In the fifth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two W+4.67+ atoms. In the sixth O2- site, O2- is bonded in a linear geometry to two equivalent W+4.67+ atoms. In the seventh O2- site, O2- is bonded in a distorted trigonal planar geometry to two W+4.67+ and one Sn4+ atom. In the eighth O2- site, O2- is bonded in a bent 150 degrees geometry to two W+4.67+ atoms. In the ninth O2- site, O2- is bonded in a linear geometry to two equivalent W+4.67+ 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:
- 1291980
- Report Number(s):
- mp-761454
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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