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Title: Materials Data on K2SnCl4O by Materials Project

Abstract

K2SnOCl4 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 2-coordinate geometry to two equivalent O2- and seven Cl1- atoms. Both K–O bond lengths are 2.80 Å. There are a spread of K–Cl bond distances ranging from 3.36–3.69 Å. In the second K1+ site, K1+ is bonded in a 2-coordinate geometry to two equivalent O2- and seven Cl1- atoms. Both K–O bond lengths are 2.79 Å. There are a spread of K–Cl bond distances ranging from 3.32–3.78 Å. Sn4+ is bonded to six Cl1- atoms to form edge-sharing SnCl6 octahedra. There are a spread of Sn–Cl bond distances ranging from 2.63–2.74 Å. O2- is bonded in a square co-planar geometry to four K1+ atoms. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 2-coordinate geometry to three equivalent K1+ and two equivalent Sn4+ atoms. In the second Cl1- site, Cl1- is bonded in a 2-coordinate geometry to three equivalent K1+ and two equivalent Sn4+ atoms. In the third Cl1- site, Cl1- is bonded in a 5-coordinate geometry to four K1+ and one Sn4+ atom.

Publication Date:
Other Number(s):
mp-1180919
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; K2SnCl4O; Cl-K-O-Sn
OSTI Identifier:
1682664
DOI:
https://doi.org/10.17188/1682664

Citation Formats

The Materials Project. Materials Data on K2SnCl4O by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1682664.
The Materials Project. Materials Data on K2SnCl4O by Materials Project. United States. doi:https://doi.org/10.17188/1682664
The Materials Project. 2020. "Materials Data on K2SnCl4O by Materials Project". United States. doi:https://doi.org/10.17188/1682664. https://www.osti.gov/servlets/purl/1682664. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1682664,
title = {Materials Data on K2SnCl4O by Materials Project},
author = {The Materials Project},
abstractNote = {K2SnOCl4 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 2-coordinate geometry to two equivalent O2- and seven Cl1- atoms. Both K–O bond lengths are 2.80 Å. There are a spread of K–Cl bond distances ranging from 3.36–3.69 Å. In the second K1+ site, K1+ is bonded in a 2-coordinate geometry to two equivalent O2- and seven Cl1- atoms. Both K–O bond lengths are 2.79 Å. There are a spread of K–Cl bond distances ranging from 3.32–3.78 Å. Sn4+ is bonded to six Cl1- atoms to form edge-sharing SnCl6 octahedra. There are a spread of Sn–Cl bond distances ranging from 2.63–2.74 Å. O2- is bonded in a square co-planar geometry to four K1+ atoms. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 2-coordinate geometry to three equivalent K1+ and two equivalent Sn4+ atoms. In the second Cl1- site, Cl1- is bonded in a 2-coordinate geometry to three equivalent K1+ and two equivalent Sn4+ atoms. In the third Cl1- site, Cl1- is bonded in a 5-coordinate geometry to four K1+ and one Sn4+ atom.},
doi = {10.17188/1682664},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}