U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on LiNi(WO4)2 by Materials Project
Abstract
LiNi(WO4)2 crystallizes in the triclinic P1 space group. The structure is three-dimensional. Li1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Li–O bond distances ranging from 1.95–2.46 Å. There are two inequivalent W6+ sites. In the first W6+ site, W6+ is bonded to six O2- atoms to form distorted WO6 octahedra that share corners with four equivalent NiO6 octahedra and edges with two equivalent WO6 octahedra. The corner-sharing octahedra tilt angles range from 40–55°. There are a spread of W–O bond distances ranging from 1.82–2.18 Å. In the second W6+ site, W6+ is bonded to six O2- atoms to form distorted WO6 octahedra that share corners with four equivalent NiO6 octahedra and edges with two equivalent WO6 octahedra. The corner-sharing octahedra tilt angles range from 34–54°. There are a spread of W–O bond distances ranging from 1.79–2.21 Å. Ni3+ is bonded to six O2- atoms to form NiO6 octahedra that share corners with eight WO6 octahedra. The corner-sharing octahedra tilt angles range from 34–55°. There are a spread of Ni–O bond distances ranging from 2.05–2.14 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinatemore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-25603
- 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; LiNi(WO4)2; Li-Ni-O-W
- OSTI Identifier:
- 1200800
- DOI:
- https://doi.org/10.17188/1200800
Citation Formats
The Materials Project. Materials Data on LiNi(WO4)2 by Materials Project. United States: N. p., 2017.
Web. doi:10.17188/1200800.
The Materials Project. Materials Data on LiNi(WO4)2 by Materials Project. United States. doi:https://doi.org/10.17188/1200800
The Materials Project. 2017.
"Materials Data on LiNi(WO4)2 by Materials Project". United States. doi:https://doi.org/10.17188/1200800. https://www.osti.gov/servlets/purl/1200800. Pub date:Tue Jul 18 00:00:00 EDT 2017
@article{osti_1200800,
title = {Materials Data on LiNi(WO4)2 by Materials Project},
author = {The Materials Project},
abstractNote = {LiNi(WO4)2 crystallizes in the triclinic P1 space group. The structure is three-dimensional. Li1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Li–O bond distances ranging from 1.95–2.46 Å. There are two inequivalent W6+ sites. In the first W6+ site, W6+ is bonded to six O2- atoms to form distorted WO6 octahedra that share corners with four equivalent NiO6 octahedra and edges with two equivalent WO6 octahedra. The corner-sharing octahedra tilt angles range from 40–55°. There are a spread of W–O bond distances ranging from 1.82–2.18 Å. In the second W6+ site, W6+ is bonded to six O2- atoms to form distorted WO6 octahedra that share corners with four equivalent NiO6 octahedra and edges with two equivalent WO6 octahedra. The corner-sharing octahedra tilt angles range from 34–54°. There are a spread of W–O bond distances ranging from 1.79–2.21 Å. Ni3+ is bonded to six O2- atoms to form NiO6 octahedra that share corners with eight WO6 octahedra. The corner-sharing octahedra tilt angles range from 34–55°. There are a spread of Ni–O bond distances ranging from 2.05–2.14 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Li1+, one W6+, and one Ni3+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to one Li1+, one W6+, and one Ni3+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one Li1+ and two W6+ atoms. In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to one Li1+, one W6+, and one Ni3+ atom. In the fifth O2- site, O2- is bonded in a trigonal planar geometry to two W6+ and one Ni3+ atom. In the sixth O2- site, O2- is bonded in a 3-coordinate geometry to one Li1+ and two W6+ atoms. In the seventh O2- site, O2- is bonded in a bent 150 degrees geometry to one W6+ and one Ni3+ atom. In the eighth O2- site, O2- is bonded in a distorted trigonal pyramidal geometry to one Li1+, two W6+, and one Ni3+ atom.},
doi = {10.17188/1200800},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Tue Jul 18 00:00:00 EDT 2017},
month = {Tue Jul 18 00:00:00 EDT 2017}
}