U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on MgSnF4 by Materials Project
Abstract
MgSnF4 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are two inequivalent Mg2+ sites. In the first Mg2+ site, Mg2+ is bonded to six F1- atoms to form corner-sharing MgF6 octahedra. The corner-sharing octahedra tilt angles range from 37–49°. There are a spread of Mg–F bond distances ranging from 1.98–2.09 Å. In the second Mg2+ site, Mg2+ is bonded to six F1- atoms to form corner-sharing MgF6 octahedra. The corner-sharing octahedra tilt angles range from 37–49°. There are a spread of Mg–F bond distances ranging from 1.99–2.04 Å. There are two inequivalent Sn2+ sites. In the first Sn2+ site, Sn2+ is bonded in a 3-coordinate geometry to five F1- atoms. There are a spread of Sn–F bond distances ranging from 2.14–2.69 Å. In the second Sn2+ site, Sn2+ is bonded in a 4-coordinate geometry to four F1- atoms. There are a spread of Sn–F bond distances ranging from 2.14–2.58 Å. There are eight inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Mg2+ and one Sn2+ atom. In the second F1- site, F1- is bonded in a 2-coordinate geometry to one Mg2+ and two Sn2+more »
- Authors:
- Publication Date:
- Other Number(s):
- mvc-14195
- 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; MgSnF4; F-Mg-Sn
- OSTI Identifier:
- 1319064
- DOI:
- https://doi.org/10.17188/1319064
Citation Formats
The Materials Project. Materials Data on MgSnF4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1319064.
The Materials Project. Materials Data on MgSnF4 by Materials Project. United States. doi:https://doi.org/10.17188/1319064
The Materials Project. 2020.
"Materials Data on MgSnF4 by Materials Project". United States. doi:https://doi.org/10.17188/1319064. https://www.osti.gov/servlets/purl/1319064. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1319064,
title = {Materials Data on MgSnF4 by Materials Project},
author = {The Materials Project},
abstractNote = {MgSnF4 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are two inequivalent Mg2+ sites. In the first Mg2+ site, Mg2+ is bonded to six F1- atoms to form corner-sharing MgF6 octahedra. The corner-sharing octahedra tilt angles range from 37–49°. There are a spread of Mg–F bond distances ranging from 1.98–2.09 Å. In the second Mg2+ site, Mg2+ is bonded to six F1- atoms to form corner-sharing MgF6 octahedra. The corner-sharing octahedra tilt angles range from 37–49°. There are a spread of Mg–F bond distances ranging from 1.99–2.04 Å. There are two inequivalent Sn2+ sites. In the first Sn2+ site, Sn2+ is bonded in a 3-coordinate geometry to five F1- atoms. There are a spread of Sn–F bond distances ranging from 2.14–2.69 Å. In the second Sn2+ site, Sn2+ is bonded in a 4-coordinate geometry to four F1- atoms. There are a spread of Sn–F bond distances ranging from 2.14–2.58 Å. There are eight inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Mg2+ and one Sn2+ atom. In the second F1- site, F1- is bonded in a 2-coordinate geometry to one Mg2+ and two Sn2+ atoms. In the third F1- site, F1- is bonded in a distorted bent 120 degrees geometry to two Mg2+ atoms. In the fourth F1- site, F1- is bonded in a 3-coordinate geometry to two Mg2+ and one Sn2+ atom. In the fifth F1- site, F1- is bonded in a distorted trigonal non-coplanar geometry to two Mg2+ and one Sn2+ atom. In the sixth F1- site, F1- is bonded in a distorted bent 120 degrees geometry to two Mg2+ and one Sn2+ atom. In the seventh F1- site, F1- is bonded in a 3-coordinate geometry to one Mg2+ and two Sn2+ atoms. In the eighth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Mg2+ and one Sn2+ atom.},
doi = {10.17188/1319064},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}