Materials Data on AlWO4 by Materials Project
AlWO4 is beta Vanadium nitride-derived structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. W5+ is bonded to six O2- atoms to form WO6 octahedra that share corners with eight equivalent AlO6 octahedra and edges with two equivalent WO6 octahedra. The corner-sharing octahedra tilt angles range from 41–51°. There are a spread of W–O bond distances ranging from 1.95–2.05 Å. Al3+ is bonded to six O2- atoms to form AlO6 octahedra that share corners with eight equivalent WO6 octahedra and edges with two equivalent AlO6 octahedra. The corner-sharing octahedra tilt angles range from 41–51°. There is five shorter (1.92 Å) and one longer (1.93 Å) Al–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent W5+ and one Al3+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent W5+ and one Al3+ atom. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to one W5+ and two equivalent Al3+ atoms.
- Research Organization:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Contributing Organization:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231
- OSTI ID:
- 1194424
- Report Number(s):
- mp-19413
- Country of Publication:
- United States
- Language:
- English
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