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Title: Materials Data on CsKICl by Materials Project

Abstract

CsKICl is alpha Po-derived structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Cs1+ is bonded to two equivalent I1- and four equivalent Cl1- atoms to form CsI2Cl4 octahedra that share corners with six equivalent CsI2Cl4 octahedra, edges with four equivalent CsI2Cl4 octahedra, and edges with eight equivalent KI4Cl2 octahedra. The corner-sharing octahedral tilt angles are 0°. Both Cs–I bond lengths are 3.75 Å. All Cs–Cl bond lengths are 3.53 Å. K1+ is bonded to four equivalent I1- and two equivalent Cl1- atoms to form KI4Cl2 octahedra that share corners with six equivalent KI4Cl2 octahedra, edges with four equivalent KI4Cl2 octahedra, and edges with eight equivalent CsI2Cl4 octahedra. The corner-sharing octahedral tilt angles are 0°. All K–I bond lengths are 3.53 Å. Both K–Cl bond lengths are 3.75 Å. I1- is bonded to two equivalent Cs1+ and four equivalent K1+ atoms to form ICs2K4 octahedra that share corners with six equivalent ICs2K4 octahedra, edges with four equivalent ICs2K4 octahedra, and edges with eight equivalent ClCs4K2 octahedra. The corner-sharing octahedral tilt angles are 0°. Cl1- is bonded to four equivalent Cs1+ and two equivalent K1+ atoms to form ClCs4K2 octahedra that share corners with six equivalent ClCs4K2more » octahedra, edges with four equivalent ClCs4K2 octahedra, and edges with eight equivalent ICs2K4 octahedra. The corner-sharing octahedral tilt angles are 0°.« less

Publication Date:
Other Number(s):
mp-1002083
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; CsKICl; Cl-Cs-I-K
OSTI Identifier:
1274578
DOI:
10.17188/1274578

Citation Formats

The Materials Project. Materials Data on CsKICl by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1274578.
The Materials Project. Materials Data on CsKICl by Materials Project. United States. doi:10.17188/1274578.
The Materials Project. 2020. "Materials Data on CsKICl by Materials Project". United States. doi:10.17188/1274578. https://www.osti.gov/servlets/purl/1274578. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1274578,
title = {Materials Data on CsKICl by Materials Project},
author = {The Materials Project},
abstractNote = {CsKICl is alpha Po-derived structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Cs1+ is bonded to two equivalent I1- and four equivalent Cl1- atoms to form CsI2Cl4 octahedra that share corners with six equivalent CsI2Cl4 octahedra, edges with four equivalent CsI2Cl4 octahedra, and edges with eight equivalent KI4Cl2 octahedra. The corner-sharing octahedral tilt angles are 0°. Both Cs–I bond lengths are 3.75 Å. All Cs–Cl bond lengths are 3.53 Å. K1+ is bonded to four equivalent I1- and two equivalent Cl1- atoms to form KI4Cl2 octahedra that share corners with six equivalent KI4Cl2 octahedra, edges with four equivalent KI4Cl2 octahedra, and edges with eight equivalent CsI2Cl4 octahedra. The corner-sharing octahedral tilt angles are 0°. All K–I bond lengths are 3.53 Å. Both K–Cl bond lengths are 3.75 Å. I1- is bonded to two equivalent Cs1+ and four equivalent K1+ atoms to form ICs2K4 octahedra that share corners with six equivalent ICs2K4 octahedra, edges with four equivalent ICs2K4 octahedra, and edges with eight equivalent ClCs4K2 octahedra. The corner-sharing octahedral tilt angles are 0°. Cl1- is bonded to four equivalent Cs1+ and two equivalent K1+ atoms to form ClCs4K2 octahedra that share corners with six equivalent ClCs4K2 octahedra, edges with four equivalent ClCs4K2 octahedra, and edges with eight equivalent ICs2K4 octahedra. The corner-sharing octahedral tilt angles are 0°.},
doi = {10.17188/1274578},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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