Materials Data on MgWO3 by Materials Project
Abstract
MgWO3 crystallizes in the triclinic P1 space group. The structure is three-dimensional. Mg2+ is bonded in a pentagonal planar geometry to five O2- atoms. There are a spread of Mg–O bond distances ranging from 2.18–2.23 Å. W4+ is bonded to six O2- atoms to form distorted corner-sharing WO6 octahedra. The corner-sharing octahedral tilt angles are 18°. There are a spread of W–O bond distances ranging from 1.96–2.24 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted see-saw-like geometry to two equivalent Mg2+ and two equivalent W4+ atoms. In the second O2- site, O2- is bonded in a distorted see-saw-like geometry to two equivalent Mg2+ and two equivalent W4+ atoms. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one Mg2+ and two equivalent W4+ atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mvc-5801
- 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; MgWO3; Mg-O-W
- OSTI Identifier:
- 1321542
- DOI:
- https://doi.org/10.17188/1321542
Citation Formats
The Materials Project. Materials Data on MgWO3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1321542.
The Materials Project. Materials Data on MgWO3 by Materials Project. United States. doi:https://doi.org/10.17188/1321542
The Materials Project. 2020.
"Materials Data on MgWO3 by Materials Project". United States. doi:https://doi.org/10.17188/1321542. https://www.osti.gov/servlets/purl/1321542. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1321542,
title = {Materials Data on MgWO3 by Materials Project},
author = {The Materials Project},
abstractNote = {MgWO3 crystallizes in the triclinic P1 space group. The structure is three-dimensional. Mg2+ is bonded in a pentagonal planar geometry to five O2- atoms. There are a spread of Mg–O bond distances ranging from 2.18–2.23 Å. W4+ is bonded to six O2- atoms to form distorted corner-sharing WO6 octahedra. The corner-sharing octahedral tilt angles are 18°. There are a spread of W–O bond distances ranging from 1.96–2.24 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted see-saw-like geometry to two equivalent Mg2+ and two equivalent W4+ atoms. In the second O2- site, O2- is bonded in a distorted see-saw-like geometry to two equivalent Mg2+ and two equivalent W4+ atoms. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one Mg2+ and two equivalent W4+ atoms.},
doi = {10.17188/1321542},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}