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Title: 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 » equivalent Sn2+ atoms. In the sixth F1- site, F1- is bonded in a 3-coordinate geometry to two equivalent Ca2+ and one Sn2+ atom.« less

Publication Date:
Other Number(s):
mp-30146
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; CaSn2F6; Ca-F-Sn
OSTI Identifier:
1204562
DOI:
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:10.17188/1204562.
The Materials Project. 2020. "Materials Data on CaSn2F6 by Materials Project". United States. doi: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 = {2020},
month = {7}
}

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