U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on MgWF4 by Materials Project
Abstract
MgWF4 crystallizes in the triclinic P1 space group. The structure is two-dimensional and consists of one MgWF4 sheet oriented in the (0, 2, -1) direction. there are two inequivalent Mg2+ sites. In the first Mg2+ site, Mg2+ is bonded in a 4-coordinate geometry to four F1- atoms. There is three shorter (1.94 Å) and one longer (1.95 Å) Mg–F bond length. In the second Mg2+ site, Mg2+ is bonded in a 4-coordinate geometry to four F1- atoms. There is three shorter (1.94 Å) and one longer (1.95 Å) Mg–F bond length. There are two inequivalent W2+ sites. In the first W2+ site, W2+ is bonded in a square co-planar geometry to four F1- atoms. There are two shorter (2.15 Å) and two longer (2.16 Å) W–F bond lengths. In the second W2+ site, W2+ is bonded in a square co-planar geometry to four F1- atoms. There are one shorter (2.15 Å) and three longer (2.16 Å) W–F bond lengths. There are eight inequivalent F1- sites. In the first F1- site, F1- is bonded in a 2-coordinate geometry to one Mg2+ and one W2+ atom. In the second F1- site, F1- is bonded in a 2-coordinate geometry to one Mg2+ andmore »
- Authors:
- Publication Date:
- Other Number(s):
- mvc-3351
- 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; MgWF4; F-Mg-W
- OSTI Identifier:
- 1320533
- DOI:
- https://doi.org/10.17188/1320533
Citation Formats
The Materials Project. Materials Data on MgWF4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1320533.
The Materials Project. Materials Data on MgWF4 by Materials Project. United States. doi:https://doi.org/10.17188/1320533
The Materials Project. 2020.
"Materials Data on MgWF4 by Materials Project". United States. doi:https://doi.org/10.17188/1320533. https://www.osti.gov/servlets/purl/1320533. Pub date:Mon Aug 03 00:00:00 EDT 2020
@article{osti_1320533,
title = {Materials Data on MgWF4 by Materials Project},
author = {The Materials Project},
abstractNote = {MgWF4 crystallizes in the triclinic P1 space group. The structure is two-dimensional and consists of one MgWF4 sheet oriented in the (0, 2, -1) direction. there are two inequivalent Mg2+ sites. In the first Mg2+ site, Mg2+ is bonded in a 4-coordinate geometry to four F1- atoms. There is three shorter (1.94 Å) and one longer (1.95 Å) Mg–F bond length. In the second Mg2+ site, Mg2+ is bonded in a 4-coordinate geometry to four F1- atoms. There is three shorter (1.94 Å) and one longer (1.95 Å) Mg–F bond length. There are two inequivalent W2+ sites. In the first W2+ site, W2+ is bonded in a square co-planar geometry to four F1- atoms. There are two shorter (2.15 Å) and two longer (2.16 Å) W–F bond lengths. In the second W2+ site, W2+ is bonded in a square co-planar geometry to four F1- atoms. There are one shorter (2.15 Å) and three longer (2.16 Å) W–F bond lengths. There are eight inequivalent F1- sites. In the first F1- site, F1- is bonded in a 2-coordinate geometry to one Mg2+ and one W2+ atom. In the second F1- site, F1- is bonded in a 2-coordinate geometry to one Mg2+ and one W2+ atom. In the third F1- site, F1- is bonded in a 2-coordinate geometry to one Mg2+ and one W2+ atom. In the fourth F1- site, F1- is bonded in a 2-coordinate geometry to one Mg2+ and one W2+ atom. In the fifth F1- site, F1- is bonded in a 2-coordinate geometry to one Mg2+ and one W2+ atom. In the sixth F1- site, F1- is bonded in a 2-coordinate geometry to one Mg2+ and one W2+ atom. In the seventh F1- site, F1- is bonded in a 2-coordinate geometry to one Mg2+ and one W2+ atom. In the eighth F1- site, F1- is bonded in a 2-coordinate geometry to one Mg2+ and one W2+ atom.},
doi = {10.17188/1320533},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {8}
}