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Title: Materials Data on KSn2F5 by Materials Project

Abstract

KSn2F5 crystallizes in the monoclinic Cm space group. The structure is two-dimensional and consists of one KSn2F5 sheet oriented in the (0, 0, 1) direction. K1+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of K–F bond distances ranging from 2.65–3.20 Å. There are two inequivalent Sn2+ sites. In the first Sn2+ site, Sn2+ is bonded to five F1- atoms to form distorted corner-sharing SnF5 square pyramids. There are a spread of Sn–F bond distances ranging from 2.06–2.25 Å. In the second Sn2+ site, Sn2+ is bonded in an L-shaped geometry to two F1- atoms. There are one shorter (2.03 Å) and one longer (2.11 Å) Sn–F bond lengths. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a 1-coordinate geometry to three equivalent K1+ and one Sn2+ atom. In the second F1- site, F1- is bonded in a 4-coordinate geometry to three equivalent K1+ and one Sn2+ atom. In the third F1- site, F1- is bonded in a 3-coordinate geometry to one K1+ and two equivalent Sn2+ atoms. In the fourth F1- site, F1- is bonded in a distorted water-like geometry to one K1+ and one Sn2+more » atom.« less

Publication Date:
Other Number(s):
mp-1223341
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; KSn2F5; F-K-Sn
OSTI Identifier:
1655764
DOI:
https://doi.org/10.17188/1655764

Citation Formats

The Materials Project. Materials Data on KSn2F5 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1655764.
The Materials Project. Materials Data on KSn2F5 by Materials Project. United States. doi:https://doi.org/10.17188/1655764
The Materials Project. 2019. "Materials Data on KSn2F5 by Materials Project". United States. doi:https://doi.org/10.17188/1655764. https://www.osti.gov/servlets/purl/1655764. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1655764,
title = {Materials Data on KSn2F5 by Materials Project},
author = {The Materials Project},
abstractNote = {KSn2F5 crystallizes in the monoclinic Cm space group. The structure is two-dimensional and consists of one KSn2F5 sheet oriented in the (0, 0, 1) direction. K1+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of K–F bond distances ranging from 2.65–3.20 Å. There are two inequivalent Sn2+ sites. In the first Sn2+ site, Sn2+ is bonded to five F1- atoms to form distorted corner-sharing SnF5 square pyramids. There are a spread of Sn–F bond distances ranging from 2.06–2.25 Å. In the second Sn2+ site, Sn2+ is bonded in an L-shaped geometry to two F1- atoms. There are one shorter (2.03 Å) and one longer (2.11 Å) Sn–F bond lengths. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a 1-coordinate geometry to three equivalent K1+ and one Sn2+ atom. In the second F1- site, F1- is bonded in a 4-coordinate geometry to three equivalent K1+ and one Sn2+ atom. In the third F1- site, F1- is bonded in a 3-coordinate geometry to one K1+ and two equivalent Sn2+ atoms. In the fourth F1- site, F1- is bonded in a distorted water-like geometry to one K1+ and one Sn2+ atom.},
doi = {10.17188/1655764},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}