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Title: Materials Data on K3SnHF8 by Materials Project

Abstract

K3SnHF8 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 8-coordinate geometry to two equivalent H1+ and six F1- atoms. Both K–H bond lengths are 2.81 Å. There are a spread of K–F bond distances ranging from 2.64–2.81 Å. In the second K1+ site, K1+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of K–F bond distances ranging from 2.64–3.20 Å. Sn4+ is bonded in an octahedral geometry to six F1- atoms. There are a spread of Sn–F bond distances ranging from 2.00–2.02 Å. H1+ is bonded in a linear geometry to two equivalent K1+ and two equivalent F1- atoms. Both H–F bond lengths are 1.15 Å. There are five inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted rectangular see-saw-like geometry to three K1+ and one Sn4+ atom. In the second F1- site, F1- is bonded in a 2-coordinate geometry to three K1+ and one Sn4+ atom. In the third F1- site, F1- is bonded in a distorted single-bond geometry to three K1+ and one H1+ atom. In the fourthmore » F1- site, F1- is bonded in a 1-coordinate geometry to two equivalent K1+ and one Sn4+ atom. In the fifth F1- site, F1- is bonded in a distorted trigonal planar geometry to two equivalent K1+ and one Sn4+ atom.« less

Publication Date:
Other Number(s):
mp-696683
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; K3SnHF8; F-H-K-Sn
OSTI Identifier:
1285030
DOI:
10.17188/1285030

Citation Formats

The Materials Project. Materials Data on K3SnHF8 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1285030.
The Materials Project. Materials Data on K3SnHF8 by Materials Project. United States. doi:10.17188/1285030.
The Materials Project. 2020. "Materials Data on K3SnHF8 by Materials Project". United States. doi:10.17188/1285030. https://www.osti.gov/servlets/purl/1285030. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1285030,
title = {Materials Data on K3SnHF8 by Materials Project},
author = {The Materials Project},
abstractNote = {K3SnHF8 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 8-coordinate geometry to two equivalent H1+ and six F1- atoms. Both K–H bond lengths are 2.81 Å. There are a spread of K–F bond distances ranging from 2.64–2.81 Å. In the second K1+ site, K1+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of K–F bond distances ranging from 2.64–3.20 Å. Sn4+ is bonded in an octahedral geometry to six F1- atoms. There are a spread of Sn–F bond distances ranging from 2.00–2.02 Å. H1+ is bonded in a linear geometry to two equivalent K1+ and two equivalent F1- atoms. Both H–F bond lengths are 1.15 Å. There are five inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted rectangular see-saw-like geometry to three K1+ and one Sn4+ atom. In the second F1- site, F1- is bonded in a 2-coordinate geometry to three K1+ and one Sn4+ atom. In the third F1- site, F1- is bonded in a distorted single-bond geometry to three K1+ and one H1+ atom. In the fourth F1- site, F1- is bonded in a 1-coordinate geometry to two equivalent K1+ and one Sn4+ atom. In the fifth F1- site, F1- is bonded in a distorted trigonal planar geometry to two equivalent K1+ and one Sn4+ atom.},
doi = {10.17188/1285030},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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