U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on CaSn2F6 by Materials Project
Abstract
CaSn2F6 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Ca2+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Ca–F bond distances ranging from 2.33–2.49 Å. There are two inequivalent Sn2+ sites. In the first 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 2.11–2.59 Å. In the second Sn2+ site, Sn2+ is bonded in a 4-coordinate geometry to five F1- atoms. There are a spread of Sn–F bond distances ranging from 2.09–2.71 Å. There are six inequivalent F1- sites. In the first F1- site, F1- is bonded in a 1-coordinate geometry to three Sn2+ atoms. In the second F1- site, F1- is bonded in a distorted trigonal planar geometry to two equivalent Ca2+ and one Sn2+ atom. In the third F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Ca2+ and one Sn2+ atom. In the fourth F1- site, F1- is bonded in a 3-coordinate geometry to two equivalent Ca2+ and one Sn2+ atom. In the fifth F1- site, F1- is bonded in a 3-coordinate geometry to one Ca2+ and twomore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-30146
- 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; CaSn2F6; Ca-F-Sn
- OSTI Identifier:
- 1204562
- DOI:
- https://doi.org/10.17188/1204562
Citation Formats
The Materials Project. Materials Data on CaSn2F6 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1204562.
The Materials Project. Materials Data on CaSn2F6 by Materials Project. United States. doi:https://doi.org/10.17188/1204562
The Materials Project. 2020.
"Materials Data on CaSn2F6 by Materials Project". United States. doi:https://doi.org/10.17188/1204562. https://www.osti.gov/servlets/purl/1204562. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1204562,
title = {Materials Data on CaSn2F6 by Materials Project},
author = {The Materials Project},
abstractNote = {CaSn2F6 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Ca2+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Ca–F bond distances ranging from 2.33–2.49 Å. There are two inequivalent Sn2+ sites. In the first 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 2.11–2.59 Å. In the second Sn2+ site, Sn2+ is bonded in a 4-coordinate geometry to five F1- atoms. There are a spread of Sn–F bond distances ranging from 2.09–2.71 Å. There are six inequivalent F1- sites. In the first F1- site, F1- is bonded in a 1-coordinate geometry to three Sn2+ atoms. In the second F1- site, F1- is bonded in a distorted trigonal planar geometry to two equivalent Ca2+ and one Sn2+ atom. In the third F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Ca2+ and one Sn2+ atom. In the fourth F1- site, F1- is bonded in a 3-coordinate geometry to two equivalent Ca2+ and one Sn2+ atom. In the fifth F1- site, F1- is bonded in a 3-coordinate geometry to one Ca2+ and two equivalent Sn2+ atoms. In the sixth F1- site, F1- is bonded in a 3-coordinate geometry to two equivalent Ca2+ and one Sn2+ atom.},
doi = {10.17188/1204562},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Wed Jul 15 00:00:00 EDT 2020},
month = {Wed Jul 15 00:00:00 EDT 2020}
}