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Title: 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 » 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.« less

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 = {2017},
month = {7}
}