Materials Data on YWO3 by Materials Project
YWO3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Y3+ is bonded to six equivalent O2- atoms to form distorted YO6 octahedra that share corners with six equivalent WO5 trigonal bipyramids and edges with six equivalent YO6 octahedra. All Y–O bond lengths are 2.32 Å. W3+ is bonded to five O2- atoms to form WO5 trigonal bipyramids that share corners with six equivalent YO6 octahedra and corners with six equivalent WO5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 64°. There are three shorter (2.08 Å) and two longer (2.15 Å) W–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal planar geometry to three equivalent W3+ atoms. In the second O2- site, O2- is bonded to three equivalent Y3+ and one W3+ atom to form a mixture of edge and corner-sharing OY3W 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:
- 1319602
- Report Number(s):
- mvc-15989
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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