U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Mg2TiWO6 by Materials Project
Abstract
Mg2TiWO6 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Mg2+ is bonded in a 4-coordinate geometry to seven O2- atoms. There are a spread of Mg–O bond distances ranging from 2.06–2.66 Å. Ti4+ is bonded to six O2- atoms to form TiO6 octahedra that share corners with six equivalent WO6 octahedra. The corner-sharing octahedra tilt angles range from 43–44°. There are a spread of Ti–O bond distances ranging from 1.93–2.04 Å. W4+ is bonded to six O2- atoms to form WO6 octahedra that share corners with six equivalent TiO6 octahedra. The corner-sharing octahedra tilt angles range from 43–44°. There are a spread of W–O bond distances ranging from 2.05–2.11 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Mg2+, one Ti4+, and one W4+ atom. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Mg2+, one Ti4+, and one W4+ atom. In the third O2- site, O2- is bonded to two equivalent Mg2+, one Ti4+, and one W4+ atom to form distorted corner-sharing OMg2TiW trigonal pyramids.
- Publication Date:
- Other Number(s):
- mvc-4996
- 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; Mg-O-Ti-W; Mg2TiWO6; crystal structure
- OSTI Identifier:
- 1321205
- DOI:
- https://doi.org/10.17188/1321205
Citation Formats
Materials Data on Mg2TiWO6 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1321205.
Materials Data on Mg2TiWO6 by Materials Project. United States. doi:https://doi.org/10.17188/1321205
2020.
"Materials Data on Mg2TiWO6 by Materials Project". United States. doi:https://doi.org/10.17188/1321205. https://www.osti.gov/servlets/purl/1321205. Pub date:Wed Apr 29 04:00:00 UTC 2020
@article{osti_1321205,
title = {Materials Data on Mg2TiWO6 by Materials Project},
abstractNote = {Mg2TiWO6 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Mg2+ is bonded in a 4-coordinate geometry to seven O2- atoms. There are a spread of Mg–O bond distances ranging from 2.06–2.66 Å. Ti4+ is bonded to six O2- atoms to form TiO6 octahedra that share corners with six equivalent WO6 octahedra. The corner-sharing octahedra tilt angles range from 43–44°. There are a spread of Ti–O bond distances ranging from 1.93–2.04 Å. W4+ is bonded to six O2- atoms to form WO6 octahedra that share corners with six equivalent TiO6 octahedra. The corner-sharing octahedra tilt angles range from 43–44°. There are a spread of W–O bond distances ranging from 2.05–2.11 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Mg2+, one Ti4+, and one W4+ atom. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Mg2+, one Ti4+, and one W4+ atom. In the third O2- site, O2- is bonded to two equivalent Mg2+, one Ti4+, and one W4+ atom to form distorted corner-sharing OMg2TiW trigonal pyramids.},
doi = {10.17188/1321205},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}