U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on KLu(WO4)2 by Materials Project
Abstract
KLu(WO4)2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. K1+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of K–O bond distances ranging from 2.83–3.02 Å. Lu3+ is bonded to six O2- atoms to form distorted LuO6 pentagonal pyramids that share corners with eight equivalent WO6 octahedra. The corner-sharing octahedra tilt angles range from 24–63°. There are a spread of Lu–O bond distances ranging from 2.21–2.25 Å. W6+ is bonded to six O2- atoms to form WO6 octahedra that share corners with two equivalent WO6 octahedra, corners with four equivalent LuO6 pentagonal pyramids, and an edgeedge with one WO6 octahedra. The corner-sharing octahedral tilt angles are 41°. There are a spread of W–O bond distances ranging from 1.84–2.11 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to one K1+, one Lu3+, and one W6+ atom. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent K1+ and two equivalent W6+ atoms. In the third O2- site, O2- is bonded in a 4-coordinate geometry to one K1+, one Lu3+, and two equivalent W6+ atoms. In themore »
- Publication Date:
- Other Number(s):
- mp-18719
- 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; K-Lu-O-W; KLu(WO4)2; crystal structure
- OSTI Identifier:
- 1193366
- DOI:
- https://doi.org/10.17188/1193366
Citation Formats
Materials Data on KLu(WO4)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1193366.
Materials Data on KLu(WO4)2 by Materials Project. United States. doi:https://doi.org/10.17188/1193366
2020.
"Materials Data on KLu(WO4)2 by Materials Project". United States. doi:https://doi.org/10.17188/1193366. https://www.osti.gov/servlets/purl/1193366. Pub date:Fri Jul 17 00:00:00 EDT 2020
@article{osti_1193366,
title = {Materials Data on KLu(WO4)2 by Materials Project},
abstractNote = {KLu(WO4)2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. K1+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of K–O bond distances ranging from 2.83–3.02 Å. Lu3+ is bonded to six O2- atoms to form distorted LuO6 pentagonal pyramids that share corners with eight equivalent WO6 octahedra. The corner-sharing octahedra tilt angles range from 24–63°. There are a spread of Lu–O bond distances ranging from 2.21–2.25 Å. W6+ is bonded to six O2- atoms to form WO6 octahedra that share corners with two equivalent WO6 octahedra, corners with four equivalent LuO6 pentagonal pyramids, and an edgeedge with one WO6 octahedra. The corner-sharing octahedral tilt angles are 41°. There are a spread of W–O bond distances ranging from 1.84–2.11 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to one K1+, one Lu3+, and one W6+ atom. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent K1+ and two equivalent W6+ atoms. In the third O2- site, O2- is bonded in a 4-coordinate geometry to one K1+, one Lu3+, and two equivalent W6+ atoms. In the fourth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one K1+, one Lu3+, and one W6+ atom.},
doi = {10.17188/1193366},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}