Materials Data on AlNi(WO4)2 by Materials Project
Abstract
NiAl(WO4)2 is zeta iron carbide-derived structured and crystallizes in the monoclinic P2/c space group. The structure is three-dimensional. W+5.50+ is bonded to six O2- atoms to form WO6 octahedra that share corners with four equivalent NiO6 octahedra, corners with four equivalent AlO6 octahedra, and edges with two equivalent WO6 octahedra. The corner-sharing octahedra tilt angles range from 43–56°. There are a spread of W–O bond distances ranging from 1.86–2.12 Å. Ni2+ is bonded to six O2- atoms to form NiO6 octahedra that share corners with eight equivalent WO6 octahedra and edges with two equivalent AlO6 octahedra. The corner-sharing octahedra tilt angles range from 52–56°. There are a spread of Ni–O bond distances ranging from 2.07–2.14 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 NiO6 octahedra. The corner-sharing octahedra tilt angles range from 43–53°. There are a spread of Al–O bond distances ranging from 1.90–2.00 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one W+5.50+, one Ni2+, and one Al3+ atom. In the second O2- site, O2- is bonded inmore »
- Authors:
- Publication Date:
- Other Number(s):
- mvc-694
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- Research Org.:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Collaborations:
- MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; AlNi(WO4)2; Al-Ni-O-W
- OSTI Identifier:
- 1322399
- DOI:
- https://doi.org/10.17188/1322399
Citation Formats
The Materials Project. Materials Data on AlNi(WO4)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1322399.
The Materials Project. Materials Data on AlNi(WO4)2 by Materials Project. United States. doi:https://doi.org/10.17188/1322399
The Materials Project. 2020.
"Materials Data on AlNi(WO4)2 by Materials Project". United States. doi:https://doi.org/10.17188/1322399. https://www.osti.gov/servlets/purl/1322399. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1322399,
title = {Materials Data on AlNi(WO4)2 by Materials Project},
author = {The Materials Project},
abstractNote = {NiAl(WO4)2 is zeta iron carbide-derived structured and crystallizes in the monoclinic P2/c space group. The structure is three-dimensional. W+5.50+ is bonded to six O2- atoms to form WO6 octahedra that share corners with four equivalent NiO6 octahedra, corners with four equivalent AlO6 octahedra, and edges with two equivalent WO6 octahedra. The corner-sharing octahedra tilt angles range from 43–56°. There are a spread of W–O bond distances ranging from 1.86–2.12 Å. Ni2+ is bonded to six O2- atoms to form NiO6 octahedra that share corners with eight equivalent WO6 octahedra and edges with two equivalent AlO6 octahedra. The corner-sharing octahedra tilt angles range from 52–56°. There are a spread of Ni–O bond distances ranging from 2.07–2.14 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 NiO6 octahedra. The corner-sharing octahedra tilt angles range from 43–53°. There are a spread of Al–O bond distances ranging from 1.90–2.00 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one W+5.50+, one Ni2+, and one Al3+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent W+5.50+ and one Ni2+ atom. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to one W+5.50+, one Ni2+, and one Al3+ atom. In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent W+5.50+ and one Al3+ atom.},
doi = {10.17188/1322399},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}