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Title: Materials Data on KSb4F13 by Materials Project

Abstract

KSb4F13 crystallizes in the tetragonal I4/m space group. The structure is one-dimensional and consists of two KSb4F13 ribbons oriented in the (0, 0, 1) direction. K1+ is bonded in a distorted q6 geometry to ten F1- atoms. There are eight shorter (2.81 Å) and two longer (2.98 Å) K–F bond lengths. Sb3+ is bonded in a 3-coordinate geometry to four F1- atoms. There are a spread of Sb–F bond distances ranging from 1.96–2.75 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted bent 120 degrees geometry to one K1+, one Sb3+, and one F1- atom. The F–F bond length is 2.75 Å. In the second F1- site, F1- is bonded in a single-bond geometry to one Sb3+ atom. In the third F1- site, F1- is bonded to two equivalent K1+, four equivalent Sb3+, and eight equivalent F1- atoms to form distorted corner-sharing FK2Sb4F8 octahedra. The corner-sharing octahedral tilt angles are 0°.

Authors:
Publication Date:
Other Number(s):
mp-560043
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; KSb4F13; F-K-Sb
OSTI Identifier:
1271235
DOI:
https://doi.org/10.17188/1271235

Citation Formats

The Materials Project. Materials Data on KSb4F13 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1271235.
The Materials Project. Materials Data on KSb4F13 by Materials Project. United States. doi:https://doi.org/10.17188/1271235
The Materials Project. 2020. "Materials Data on KSb4F13 by Materials Project". United States. doi:https://doi.org/10.17188/1271235. https://www.osti.gov/servlets/purl/1271235. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1271235,
title = {Materials Data on KSb4F13 by Materials Project},
author = {The Materials Project},
abstractNote = {KSb4F13 crystallizes in the tetragonal I4/m space group. The structure is one-dimensional and consists of two KSb4F13 ribbons oriented in the (0, 0, 1) direction. K1+ is bonded in a distorted q6 geometry to ten F1- atoms. There are eight shorter (2.81 Å) and two longer (2.98 Å) K–F bond lengths. Sb3+ is bonded in a 3-coordinate geometry to four F1- atoms. There are a spread of Sb–F bond distances ranging from 1.96–2.75 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted bent 120 degrees geometry to one K1+, one Sb3+, and one F1- atom. The F–F bond length is 2.75 Å. In the second F1- site, F1- is bonded in a single-bond geometry to one Sb3+ atom. In the third F1- site, F1- is bonded to two equivalent K1+, four equivalent Sb3+, and eight equivalent F1- atoms to form distorted corner-sharing FK2Sb4F8 octahedra. The corner-sharing octahedral tilt angles are 0°.},
doi = {10.17188/1271235},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}