U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on SnSb2As2F18 by Materials Project
Abstract
SnSb2As2F18 crystallizes in the monoclinic Pc space group. The structure is two-dimensional and consists of one SnSb2As2F18 sheet oriented in the (0, 1, 0) direction. Sn2+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Sn–F bond distances ranging from 2.38–2.69 Å. There are two inequivalent Sb3+ sites. In the first Sb3+ site, Sb3+ is bonded in an octahedral geometry to six F1- atoms. There are a spread of Sb–F bond distances ranging from 1.89–1.97 Å. In the second Sb3+ site, Sb3+ is bonded in an octahedral geometry to six F1- atoms. There are a spread of Sb–F bond distances ranging from 1.90–1.94 Å. There are two inequivalent As5+ sites. In the first As5+ site, As5+ is bonded in a distorted T-shaped geometry to three F1- atoms. There are a spread of As–F bond distances ranging from 1.75–1.81 Å. In the second As5+ site, As5+ is bonded in a distorted T-shaped geometry to three F1- atoms. There are a spread of As–F bond distances ranging from 1.76–1.83 Å. There are eighteen inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted single-bond geometry to one Sn2+ and one Sb3+ atom.more »
- Authors:
- Publication Date:
- Other Number(s):
- mp-554260
- 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; SnSb2As2F18; As-F-Sb-Sn
- OSTI Identifier:
- 1267821
- DOI:
- https://doi.org/10.17188/1267821
Citation Formats
The Materials Project. Materials Data on SnSb2As2F18 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1267821.
The Materials Project. Materials Data on SnSb2As2F18 by Materials Project. United States. doi:https://doi.org/10.17188/1267821
The Materials Project. 2020.
"Materials Data on SnSb2As2F18 by Materials Project". United States. doi:https://doi.org/10.17188/1267821. https://www.osti.gov/servlets/purl/1267821. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1267821,
title = {Materials Data on SnSb2As2F18 by Materials Project},
author = {The Materials Project},
abstractNote = {SnSb2As2F18 crystallizes in the monoclinic Pc space group. The structure is two-dimensional and consists of one SnSb2As2F18 sheet oriented in the (0, 1, 0) direction. Sn2+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Sn–F bond distances ranging from 2.38–2.69 Å. There are two inequivalent Sb3+ sites. In the first Sb3+ site, Sb3+ is bonded in an octahedral geometry to six F1- atoms. There are a spread of Sb–F bond distances ranging from 1.89–1.97 Å. In the second Sb3+ site, Sb3+ is bonded in an octahedral geometry to six F1- atoms. There are a spread of Sb–F bond distances ranging from 1.90–1.94 Å. There are two inequivalent As5+ sites. In the first As5+ site, As5+ is bonded in a distorted T-shaped geometry to three F1- atoms. There are a spread of As–F bond distances ranging from 1.75–1.81 Å. In the second As5+ site, As5+ is bonded in a distorted T-shaped geometry to three F1- atoms. There are a spread of As–F bond distances ranging from 1.76–1.83 Å. There are eighteen inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted single-bond geometry to one Sn2+ and one Sb3+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Sn2+ and one As5+ atom. In the third F1- site, F1- is bonded in a distorted single-bond geometry to one Sn2+ and one Sb3+ atom. In the fourth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Sn2+ and one Sb3+ atom. In the fifth F1- site, F1- is bonded in a single-bond geometry to one Sb3+ atom. In the sixth F1- site, F1- is bonded in a single-bond geometry to one As5+ atom. In the seventh F1- site, F1- is bonded in a distorted linear geometry to one Sn2+ and one Sb3+ atom. In the eighth F1- site, F1- is bonded in a single-bond geometry to one As5+ atom. In the ninth F1- site, F1- is bonded in a single-bond geometry to one Sb3+ atom. In the tenth F1- site, F1- is bonded in a distorted single-bond geometry to one Sn2+ and one As5+ atom. In the eleventh F1- site, F1- is bonded in a single-bond geometry to one As5+ atom. In the twelfth F1- site, F1- is bonded in a single-bond geometry to one As5+ atom. In the thirteenth F1- site, F1- is bonded in a single-bond geometry to one Sb3+ atom. In the fourteenth F1- site, F1- is bonded in a single-bond geometry to one Sb3+ atom. In the fifteenth F1- site, F1- is bonded in a 1-coordinate geometry to one Sn2+ and one Sb3+ atom. In the sixteenth F1- site, F1- is bonded in a single-bond geometry to one Sb3+ atom. In the seventeenth F1- site, F1- is bonded in a single-bond geometry to one Sb3+ atom. In the eighteenth F1- site, F1- is bonded in a distorted linear geometry to one Sn2+ and one Sb3+ atom.},
doi = {10.17188/1267821},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Wed Apr 29 00:00:00 EDT 2020},
month = {Wed Apr 29 00:00:00 EDT 2020}
}