Materials Data on MgC4S4N2(O4F3)4 by Materials Project
Abstract
MgO8N2(CF3)4(SO2)4 crystallizes in the monoclinic P2_1/c space group. The structure is one-dimensional and consists of four ammonia molecules; eight fluoroform molecules; eight sulfur dioxide molecules; and two MgO8 ribbons oriented in the (1, 0, 0) direction. In each MgO8 ribbon, Mg2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Mg–O bond distances ranging from 1.97–2.37 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one Mg2+ atom. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two O2- atoms. There is one shorter (1.31 Å) and one longer (1.32 Å) O–O bond length. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Mg2+ and one O2- atom. In the fourth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Mg2+ and one O2- atom.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1180975
- 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; MgC4S4N2(O4F3)4; C-F-Mg-N-O-S
- OSTI Identifier:
- 1727565
- DOI:
- https://doi.org/10.17188/1727565
Citation Formats
The Materials Project. Materials Data on MgC4S4N2(O4F3)4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1727565.
The Materials Project. Materials Data on MgC4S4N2(O4F3)4 by Materials Project. United States. doi:https://doi.org/10.17188/1727565
The Materials Project. 2020.
"Materials Data on MgC4S4N2(O4F3)4 by Materials Project". United States. doi:https://doi.org/10.17188/1727565. https://www.osti.gov/servlets/purl/1727565. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1727565,
title = {Materials Data on MgC4S4N2(O4F3)4 by Materials Project},
author = {The Materials Project},
abstractNote = {MgO8N2(CF3)4(SO2)4 crystallizes in the monoclinic P2_1/c space group. The structure is one-dimensional and consists of four ammonia molecules; eight fluoroform molecules; eight sulfur dioxide molecules; and two MgO8 ribbons oriented in the (1, 0, 0) direction. In each MgO8 ribbon, Mg2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Mg–O bond distances ranging from 1.97–2.37 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one Mg2+ atom. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two O2- atoms. There is one shorter (1.31 Å) and one longer (1.32 Å) O–O bond length. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Mg2+ and one O2- atom. In the fourth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Mg2+ and one O2- atom.},
doi = {10.17188/1727565},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sat May 02 00:00:00 EDT 2020},
month = {Sat May 02 00:00:00 EDT 2020}
}