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Title: Materials Data on Cs2InSbF6 by Materials Project

Abstract

Cs2InSbF6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Cs1+ is bonded to twelve equivalent F1- atoms to form CsF12 cuboctahedra that share corners with twelve equivalent CsF12 cuboctahedra, faces with six equivalent CsF12 cuboctahedra, faces with four equivalent InF6 octahedra, and faces with four equivalent SbF6 octahedra. All Cs–F bond lengths are 3.46 Å. In1+ is bonded to six equivalent F1- atoms to form InF6 octahedra that share corners with six equivalent SbF6 octahedra and faces with eight equivalent CsF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All In–F bond lengths are 2.66 Å. Sb3+ is bonded to six equivalent F1- atoms to form SbF6 octahedra that share corners with six equivalent InF6 octahedra and faces with eight equivalent CsF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Sb–F bond lengths are 2.22 Å. F1- is bonded in a distorted linear geometry to four equivalent Cs1+, one In1+, and one Sb3+ atom.

Publication Date:
Other Number(s):
mp-1113091
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; Cs2InSbF6; Cs-F-In-Sb
OSTI Identifier:
1744338
DOI:
https://doi.org/10.17188/1744338

Citation Formats

The Materials Project. Materials Data on Cs2InSbF6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1744338.
The Materials Project. Materials Data on Cs2InSbF6 by Materials Project. United States. doi:https://doi.org/10.17188/1744338
The Materials Project. 2020. "Materials Data on Cs2InSbF6 by Materials Project". United States. doi:https://doi.org/10.17188/1744338. https://www.osti.gov/servlets/purl/1744338. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1744338,
title = {Materials Data on Cs2InSbF6 by Materials Project},
author = {The Materials Project},
abstractNote = {Cs2InSbF6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Cs1+ is bonded to twelve equivalent F1- atoms to form CsF12 cuboctahedra that share corners with twelve equivalent CsF12 cuboctahedra, faces with six equivalent CsF12 cuboctahedra, faces with four equivalent InF6 octahedra, and faces with four equivalent SbF6 octahedra. All Cs–F bond lengths are 3.46 Å. In1+ is bonded to six equivalent F1- atoms to form InF6 octahedra that share corners with six equivalent SbF6 octahedra and faces with eight equivalent CsF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All In–F bond lengths are 2.66 Å. Sb3+ is bonded to six equivalent F1- atoms to form SbF6 octahedra that share corners with six equivalent InF6 octahedra and faces with eight equivalent CsF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Sb–F bond lengths are 2.22 Å. F1- is bonded in a distorted linear geometry to four equivalent Cs1+, one In1+, and one Sb3+ atom.},
doi = {10.17188/1744338},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}