Materials Data on Zn2W3O8 by Materials Project
W3Zn2O8 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent W4+ sites. In the first W4+ site, W4+ is bonded to six O2- atoms to form WO6 octahedra that share corners with six equivalent ZnO4 tetrahedra and edges with four equivalent WO6 octahedra. There are four shorter (2.07 Å) and two longer (2.22 Å) W–O bond lengths. In the second W4+ site, W4+ is bonded to six O2- atoms to form WO6 octahedra that share corners with six equivalent ZnO4 tetrahedra and edges with four WO6 octahedra. There are a spread of W–O bond distances ranging from 2.01–2.14 Å. Zn2+ is bonded to four O2- atoms to form ZnO4 tetrahedra that share corners with nine WO6 octahedra. The corner-sharing octahedra tilt angles range from 43–56°. There are a spread of Zn–O bond distances ranging from 1.96–1.99 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent W4+ and one Zn2+ atom. In the second O2- site, O2- is bonded in a 4-coordinate geometry to three W4+ and one Zn2+ atom. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to two W4+ and one Zn2+ 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:
- 1320642
- Report Number(s):
- mvc-3637
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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Materials Data on Zn2W3O8 by Materials Project
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