U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Li2W2O7 by Materials Project
Abstract
Li2W2O7 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Li–O bond distances ranging from 1.95–2.14 Å. In the second Li1+ site, Li1+ is bonded to six O2- atoms to form distorted LiO6 octahedra that share corners with two equivalent WO6 octahedra, an edgeedge with one LiO6 octahedra, and an edgeedge with one WO6 octahedra. The corner-sharing octahedra tilt angles range from 23–27°. There are a spread of Li–O bond distances ranging from 1.99–2.44 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 two equivalent LiO6 octahedra, an edgeedge with one LiO6 octahedra, and an edgeedge with one WO6 octahedra. The corner-sharing octahedra tilt angles range from 23–27°. There are a spread of W–O bond distances ranging from 1.79–2.14 Å. In the second W6+ site, W6+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of W–O bond distances ranging from 1.79–2.26 Å. There are seven inequivalentmore »
- Publication Date:
- Other Number(s):
- mp-706504
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; Li-O-W; Li2W2O7; crystal structure
- OSTI Identifier:
- 1286197
- DOI:
- https://doi.org/10.17188/1286197
Citation Formats
Materials Data on Li2W2O7 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1286197.
Materials Data on Li2W2O7 by Materials Project. United States. doi:https://doi.org/10.17188/1286197
2020.
"Materials Data on Li2W2O7 by Materials Project". United States. doi:https://doi.org/10.17188/1286197. https://www.osti.gov/servlets/purl/1286197. Pub date:Wed Jul 15 04:00:00 UTC 2020
@article{osti_1286197,
title = {Materials Data on Li2W2O7 by Materials Project},
abstractNote = {Li2W2O7 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Li–O bond distances ranging from 1.95–2.14 Å. In the second Li1+ site, Li1+ is bonded to six O2- atoms to form distorted LiO6 octahedra that share corners with two equivalent WO6 octahedra, an edgeedge with one LiO6 octahedra, and an edgeedge with one WO6 octahedra. The corner-sharing octahedra tilt angles range from 23–27°. There are a spread of Li–O bond distances ranging from 1.99–2.44 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 two equivalent LiO6 octahedra, an edgeedge with one LiO6 octahedra, and an edgeedge with one WO6 octahedra. The corner-sharing octahedra tilt angles range from 23–27°. There are a spread of W–O bond distances ranging from 1.79–2.14 Å. In the second W6+ site, W6+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of W–O bond distances ranging from 1.79–2.26 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted T-shaped geometry to one Li1+ and two W6+ atoms. In the second O2- site, O2- is bonded in a T-shaped geometry to two Li1+ and one W6+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to one Li1+ and two W6+ atoms. In the fourth O2- site, O2- is bonded in a T-shaped geometry to two Li1+ and one W6+ atom. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to three W6+ atoms. In the sixth O2- site, O2- is bonded to two equivalent Li1+ and two W6+ atoms to form distorted edge-sharing OLi2W2 trigonal pyramids. In the seventh O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two Li1+ and one W6+ atom.},
doi = {10.17188/1286197},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}