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Title: Materials Data on Cs2KMoF6 by Materials Project

Abstract

Cs2KMoF6 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 KF6 octahedra, and faces with four equivalent MoF6 octahedra. All Cs–F bond lengths are 3.34 Å. K1+ is bonded to six equivalent F1- atoms to form KF6 octahedra that share corners with six equivalent MoF6 octahedra and faces with eight equivalent CsF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All K–F bond lengths are 2.60 Å. Mo3+ is bonded to six equivalent F1- atoms to form MoF6 octahedra that share corners with six equivalent KF6 octahedra and faces with eight equivalent CsF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Mo–F bond lengths are 2.11 Å. F1- is bonded in a distorted linear geometry to four equivalent Cs1+, one K1+, and one Mo3+ atom.

Publication Date:
Other Number(s):
mp-557133
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; Cs2KMoF6; Cs-F-K-Mo
OSTI Identifier:
1269714
DOI:
https://doi.org/10.17188/1269714

Citation Formats

The Materials Project. Materials Data on Cs2KMoF6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1269714.
The Materials Project. Materials Data on Cs2KMoF6 by Materials Project. United States. doi:https://doi.org/10.17188/1269714
The Materials Project. 2020. "Materials Data on Cs2KMoF6 by Materials Project". United States. doi:https://doi.org/10.17188/1269714. https://www.osti.gov/servlets/purl/1269714. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1269714,
title = {Materials Data on Cs2KMoF6 by Materials Project},
author = {The Materials Project},
abstractNote = {Cs2KMoF6 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 KF6 octahedra, and faces with four equivalent MoF6 octahedra. All Cs–F bond lengths are 3.34 Å. K1+ is bonded to six equivalent F1- atoms to form KF6 octahedra that share corners with six equivalent MoF6 octahedra and faces with eight equivalent CsF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All K–F bond lengths are 2.60 Å. Mo3+ is bonded to six equivalent F1- atoms to form MoF6 octahedra that share corners with six equivalent KF6 octahedra and faces with eight equivalent CsF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Mo–F bond lengths are 2.11 Å. F1- is bonded in a distorted linear geometry to four equivalent Cs1+, one K1+, and one Mo3+ atom.},
doi = {10.17188/1269714},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}