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Title: Materials Data on KSmO2 by Materials Project

Abstract

KSmO2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. K1+ is bonded to six equivalent O2- atoms to form distorted KO6 octahedra that share corners with six equivalent SmO6 octahedra, edges with six equivalent KO6 octahedra, and edges with six equivalent SmO6 octahedra. The corner-sharing octahedral tilt angles are 13°. All K–O bond lengths are 2.85 Å. Sm3+ is bonded to six equivalent O2- atoms to form SmO6 octahedra that share corners with six equivalent KO6 octahedra, edges with six equivalent KO6 octahedra, and edges with six equivalent SmO6 octahedra. The corner-sharing octahedral tilt angles are 13°. All Sm–O bond lengths are 2.39 Å. O2- is bonded to three equivalent K1+ and three equivalent Sm3+ atoms to form a mixture of distorted edge and corner-sharing OK3Sm3 octahedra. The corner-sharing octahedral tilt angles are 0°.

Authors:
Publication Date:
Other Number(s):
mp-1178133
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; KSmO2; K-O-Sm
OSTI Identifier:
1758028
DOI:
https://doi.org/10.17188/1758028

Citation Formats

The Materials Project. Materials Data on KSmO2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1758028.
The Materials Project. Materials Data on KSmO2 by Materials Project. United States. doi:https://doi.org/10.17188/1758028
The Materials Project. 2020. "Materials Data on KSmO2 by Materials Project". United States. doi:https://doi.org/10.17188/1758028. https://www.osti.gov/servlets/purl/1758028. Pub date:Thu Sep 03 00:00:00 EDT 2020
@article{osti_1758028,
title = {Materials Data on KSmO2 by Materials Project},
author = {The Materials Project},
abstractNote = {KSmO2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. K1+ is bonded to six equivalent O2- atoms to form distorted KO6 octahedra that share corners with six equivalent SmO6 octahedra, edges with six equivalent KO6 octahedra, and edges with six equivalent SmO6 octahedra. The corner-sharing octahedral tilt angles are 13°. All K–O bond lengths are 2.85 Å. Sm3+ is bonded to six equivalent O2- atoms to form SmO6 octahedra that share corners with six equivalent KO6 octahedra, edges with six equivalent KO6 octahedra, and edges with six equivalent SmO6 octahedra. The corner-sharing octahedral tilt angles are 13°. All Sm–O bond lengths are 2.39 Å. O2- is bonded to three equivalent K1+ and three equivalent Sm3+ atoms to form a mixture of distorted edge and corner-sharing OK3Sm3 octahedra. The corner-sharing octahedral tilt angles are 0°.},
doi = {10.17188/1758028},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {9}
}