U.S. Department of EnergyOffice of Scientific and Technical Information
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°.
- Publication Date:
- Other Number(s):
- mp-560043
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; F-K-Sb; KSb4F13; crystal structure
- OSTI Identifier:
- 1271235
- DOI:
- https://doi.org/10.17188/1271235
Citation Formats
Materials Data on KSb4F13 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1271235.
Materials Data on KSb4F13 by Materials Project. United States. doi:https://doi.org/10.17188/1271235
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},
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}
}