Materials Data on Y(WO2)2 by Materials Project
Y(WO2)2 is Spinel structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Y3+ is bonded to four O2- atoms to form YO4 tetrahedra that share corners with twelve WO6 octahedra. The corner-sharing octahedra tilt angles range from 55–61°. All Y–O bond lengths are 2.23 Å. There are two inequivalent W+2.50+ sites. In the first W+2.50+ site, W+2.50+ is bonded to six O2- atoms to form WO6 octahedra that share corners with six equivalent YO4 tetrahedra and edges with six WO6 octahedra. All W–O bond lengths are 2.23 Å. In the second W+2.50+ site, W+2.50+ is bonded to six equivalent O2- atoms to form WO6 octahedra that share corners with six equivalent YO4 tetrahedra and edges with six equivalent WO6 octahedra. All W–O bond lengths are 2.21 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to one Y3+ and three W+2.50+ atoms to form a mixture of distorted edge and corner-sharing OYW3 trigonal pyramids. In the second O2- site, O2- is bonded to one Y3+ and three equivalent W+2.50+ atoms to form a mixture of distorted edge and corner-sharing OYW3 tetrahedra.
- 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:
- 1320996
- Report Number(s):
- mvc-4405
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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