skip to main content
DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on KSmS2 by Materials Project

Abstract

KSmS2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. K1+ is bonded to six equivalent S2- atoms to form KS6 octahedra that share corners with six equivalent SmS6 octahedra, edges with six equivalent KS6 octahedra, and edges with six equivalent SmS6 octahedra. The corner-sharing octahedral tilt angles are 10°. All K–S bond lengths are 3.24 Å. Sm3+ is bonded to six equivalent S2- atoms to form SmS6 octahedra that share corners with six equivalent KS6 octahedra, edges with six equivalent KS6 octahedra, and edges with six equivalent SmS6 octahedra. The corner-sharing octahedral tilt angles are 10°. All Sm–S bond lengths are 2.83 Å. S2- is bonded to three equivalent K1+ and three equivalent Sm3+ atoms to form a mixture of edge and corner-sharing SK3Sm3 octahedra. The corner-sharing octahedral tilt angles are 0°.

Publication Date:
Other Number(s):
mp-15783
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; KSmS2; K-S-Sm
OSTI Identifier:
1191370
DOI:
https://doi.org/10.17188/1191370

Citation Formats

The Materials Project. Materials Data on KSmS2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1191370.
The Materials Project. Materials Data on KSmS2 by Materials Project. United States. doi:https://doi.org/10.17188/1191370
The Materials Project. 2020. "Materials Data on KSmS2 by Materials Project". United States. doi:https://doi.org/10.17188/1191370. https://www.osti.gov/servlets/purl/1191370. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1191370,
title = {Materials Data on KSmS2 by Materials Project},
author = {The Materials Project},
abstractNote = {KSmS2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. K1+ is bonded to six equivalent S2- atoms to form KS6 octahedra that share corners with six equivalent SmS6 octahedra, edges with six equivalent KS6 octahedra, and edges with six equivalent SmS6 octahedra. The corner-sharing octahedral tilt angles are 10°. All K–S bond lengths are 3.24 Å. Sm3+ is bonded to six equivalent S2- atoms to form SmS6 octahedra that share corners with six equivalent KS6 octahedra, edges with six equivalent KS6 octahedra, and edges with six equivalent SmS6 octahedra. The corner-sharing octahedral tilt angles are 10°. All Sm–S bond lengths are 2.83 Å. S2- is bonded to three equivalent K1+ and three equivalent Sm3+ atoms to form a mixture of edge and corner-sharing SK3Sm3 octahedra. The corner-sharing octahedral tilt angles are 0°.},
doi = {10.17188/1191370},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}