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Title: Materials Data on K4SnSb2F14 by Materials Project

Abstract

K4SnSb2F14 crystallizes in the triclinic P-1 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 eight F1- atoms. There are a spread of K–F bond distances ranging from 2.70–3.03 Å. In the second K1+ site, K1+ is bonded in a 11-coordinate geometry to eleven F1- atoms. There are a spread of K–F bond distances ranging from 2.67–3.25 Å. Sn4+ is bonded in an octahedral geometry to six F1- atoms. There are four shorter (2.01 Å) and two longer (2.02 Å) Sn–F bond lengths. Sb3+ is bonded in a distorted rectangular see-saw-like geometry to four F1- atoms. There are a spread of Sb–F bond distances ranging from 1.98–2.11 Å. There are seven inequivalent F1- sites. In the first F1- site, F1- is bonded in a 1-coordinate geometry to three K1+ and one Sb3+ atom. In the second F1- site, F1- is bonded in a distorted single-bond geometry to two K1+ and one Sn4+ atom. In the third F1- site, F1- is bonded in a 1-coordinate geometry to three K1+ and one Sb3+ atom. In the fourth F1- site, F1- is bonded in a 1-coordinate geometrymore » to three K1+ and one Sn4+ atom. In the fifth F1- site, F1- is bonded in a 2-coordinate geometry to two equivalent K1+ and one Sb3+ atom. In the sixth F1- site, F1- is bonded in a distorted single-bond geometry to three K1+ and one Sn4+ atom. In the seventh F1- site, F1- is bonded in a 4-coordinate geometry to three K1+ and one Sb3+ atom.« less

Publication Date:
Other Number(s):
mp-558309
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; K4SnSb2F14; F-K-Sb-Sn
OSTI Identifier:
1270273
DOI:
https://doi.org/10.17188/1270273

Citation Formats

The Materials Project. Materials Data on K4SnSb2F14 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1270273.
The Materials Project. Materials Data on K4SnSb2F14 by Materials Project. United States. doi:https://doi.org/10.17188/1270273
The Materials Project. 2020. "Materials Data on K4SnSb2F14 by Materials Project". United States. doi:https://doi.org/10.17188/1270273. https://www.osti.gov/servlets/purl/1270273. Pub date:Fri Jul 17 00:00:00 EDT 2020
@article{osti_1270273,
title = {Materials Data on K4SnSb2F14 by Materials Project},
author = {The Materials Project},
abstractNote = {K4SnSb2F14 crystallizes in the triclinic P-1 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 eight F1- atoms. There are a spread of K–F bond distances ranging from 2.70–3.03 Å. In the second K1+ site, K1+ is bonded in a 11-coordinate geometry to eleven F1- atoms. There are a spread of K–F bond distances ranging from 2.67–3.25 Å. Sn4+ is bonded in an octahedral geometry to six F1- atoms. There are four shorter (2.01 Å) and two longer (2.02 Å) Sn–F bond lengths. Sb3+ is bonded in a distorted rectangular see-saw-like geometry to four F1- atoms. There are a spread of Sb–F bond distances ranging from 1.98–2.11 Å. There are seven inequivalent F1- sites. In the first F1- site, F1- is bonded in a 1-coordinate geometry to three K1+ and one Sb3+ atom. In the second F1- site, F1- is bonded in a distorted single-bond geometry to two K1+ and one Sn4+ atom. In the third F1- site, F1- is bonded in a 1-coordinate geometry to three K1+ and one Sb3+ atom. In the fourth F1- site, F1- is bonded in a 1-coordinate geometry to three K1+ and one Sn4+ atom. In the fifth F1- site, F1- is bonded in a 2-coordinate geometry to two equivalent K1+ and one Sb3+ atom. In the sixth F1- site, F1- is bonded in a distorted single-bond geometry to three K1+ and one Sn4+ atom. In the seventh F1- site, F1- is bonded in a 4-coordinate geometry to three K1+ and one Sb3+ atom.},
doi = {10.17188/1270273},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}