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Title: Materials Data on K3Sm by Materials Project

Abstract

K3Sm is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent K sites. In the first K site, K is bonded to eight K and four equivalent Sm atoms to form KK8Sm4 cuboctahedra that share corners with twelve equivalent KK8Sm4 cuboctahedra, edges with eight equivalent KK8Sm4 cuboctahedra, edges with eight equivalent SmK12 cuboctahedra, faces with four equivalent SmK12 cuboctahedra, and faces with ten equivalent KK8Sm4 cuboctahedra. There are four shorter (4.18 Å) and four longer (4.43 Å) K–K bond lengths. All K–Sm bond lengths are 4.43 Å. In the second K site, K is bonded in a distorted square co-planar geometry to eight equivalent K and four equivalent Sm atoms. All K–Sm bond lengths are 4.18 Å. Sm is bonded to twelve K atoms to form SmK12 cuboctahedra that share corners with four equivalent SmK12 cuboctahedra, edges with eight equivalent SmK12 cuboctahedra, edges with sixteen equivalent KK8Sm4 cuboctahedra, faces with four equivalent SmK12 cuboctahedra, and faces with eight equivalent KK8Sm4 cuboctahedra.

Authors:
Publication Date:
Other Number(s):
mp-973554
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; K3Sm; K-Sm
OSTI Identifier:
1314141
DOI:
https://doi.org/10.17188/1314141

Citation Formats

The Materials Project. Materials Data on K3Sm by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1314141.
The Materials Project. Materials Data on K3Sm by Materials Project. United States. doi:https://doi.org/10.17188/1314141
The Materials Project. 2020. "Materials Data on K3Sm by Materials Project". United States. doi:https://doi.org/10.17188/1314141. https://www.osti.gov/servlets/purl/1314141. Pub date:Mon Jul 20 00:00:00 EDT 2020
@article{osti_1314141,
title = {Materials Data on K3Sm by Materials Project},
author = {The Materials Project},
abstractNote = {K3Sm is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent K sites. In the first K site, K is bonded to eight K and four equivalent Sm atoms to form KK8Sm4 cuboctahedra that share corners with twelve equivalent KK8Sm4 cuboctahedra, edges with eight equivalent KK8Sm4 cuboctahedra, edges with eight equivalent SmK12 cuboctahedra, faces with four equivalent SmK12 cuboctahedra, and faces with ten equivalent KK8Sm4 cuboctahedra. There are four shorter (4.18 Å) and four longer (4.43 Å) K–K bond lengths. All K–Sm bond lengths are 4.43 Å. In the second K site, K is bonded in a distorted square co-planar geometry to eight equivalent K and four equivalent Sm atoms. All K–Sm bond lengths are 4.18 Å. Sm is bonded to twelve K atoms to form SmK12 cuboctahedra that share corners with four equivalent SmK12 cuboctahedra, edges with eight equivalent SmK12 cuboctahedra, edges with sixteen equivalent KK8Sm4 cuboctahedra, faces with four equivalent SmK12 cuboctahedra, and faces with eight equivalent KK8Sm4 cuboctahedra.},
doi = {10.17188/1314141},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}