U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Mg(WO2)2 by Materials Project
Abstract
Mg(WO2)2 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. there are two inequivalent Mg2+ sites. In the first Mg2+ site, Mg2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Mg–O bond distances ranging from 2.07–2.20 Å. In the second Mg2+ site, Mg2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Mg–O bond distances ranging from 2.07–2.20 Å. There are two inequivalent W3+ sites. In the first W3+ site, W3+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing WO6 octahedra. The corner-sharing octahedra tilt angles range from 0–48°. There are a spread of W–O bond distances ranging from 2.13–2.23 Å. In the second W3+ site, W3+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing WO6 octahedra. The corner-sharing octahedra tilt angles range from 0–48°. There are a spread of W–O bond distances ranging from 2.13–2.23 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Mg2+ and three equivalent W3+ atoms. In the second O2- site, O2- is bonded inmore »
- Authors:
- Publication Date:
- Other Number(s):
- mvc-6770
- 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; Mg(WO2)2; Mg-O-W
- OSTI Identifier:
- 1652330
- DOI:
- https://doi.org/10.17188/1652330
Citation Formats
The Materials Project. Materials Data on Mg(WO2)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1652330.
The Materials Project. Materials Data on Mg(WO2)2 by Materials Project. United States. doi:https://doi.org/10.17188/1652330
The Materials Project. 2020.
"Materials Data on Mg(WO2)2 by Materials Project". United States. doi:https://doi.org/10.17188/1652330. https://www.osti.gov/servlets/purl/1652330. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1652330,
title = {Materials Data on Mg(WO2)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Mg(WO2)2 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. there are two inequivalent Mg2+ sites. In the first Mg2+ site, Mg2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Mg–O bond distances ranging from 2.07–2.20 Å. In the second Mg2+ site, Mg2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Mg–O bond distances ranging from 2.07–2.20 Å. There are two inequivalent W3+ sites. In the first W3+ site, W3+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing WO6 octahedra. The corner-sharing octahedra tilt angles range from 0–48°. There are a spread of W–O bond distances ranging from 2.13–2.23 Å. In the second W3+ site, W3+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing WO6 octahedra. The corner-sharing octahedra tilt angles range from 0–48°. There are a spread of W–O bond distances ranging from 2.13–2.23 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Mg2+ and three equivalent W3+ atoms. In the second O2- site, O2- is bonded in a 4-coordinate geometry to four W3+ atoms. In the third O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Mg2+ and three equivalent W3+ atoms. In the fourth O2- site, O2- is bonded to two equivalent Mg2+ and two equivalent W3+ atoms to form distorted corner-sharing OMg2W2 tetrahedra. In the fifth O2- site, O2- is bonded to two equivalent Mg2+ and two equivalent W3+ atoms to form distorted corner-sharing OMg2W2 tetrahedra.},
doi = {10.17188/1652330},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}