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Title: Materials Data on K3Th by Materials Project

Abstract

K3Th 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 Th atoms to form distorted KK8Th4 cuboctahedra that share corners with twelve equivalent KK8Th4 cuboctahedra, edges with eight equivalent KK8Th4 cuboctahedra, edges with eight equivalent ThK12 cuboctahedra, faces with four equivalent ThK12 cuboctahedra, and faces with ten equivalent KK8Th4 cuboctahedra. There are four shorter (3.98 Å) and four longer (4.36 Å) K–K bond lengths. All K–Th bond lengths are 4.36 Å. In the second K site, K is bonded in a square co-planar geometry to eight equivalent K and four equivalent Th atoms. All K–Th bond lengths are 3.98 Å. Th is bonded to twelve K atoms to form ThK12 cuboctahedra that share corners with four equivalent ThK12 cuboctahedra, edges with eight equivalent ThK12 cuboctahedra, edges with sixteen equivalent KK8Th4 cuboctahedra, faces with four equivalent ThK12 cuboctahedra, and faces with eight equivalent KK8Th4 cuboctahedra.

Authors:
Publication Date:
Other Number(s):
mp-1185172
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; K3Th; K-Th
OSTI Identifier:
1732077
DOI:
https://doi.org/10.17188/1732077

Citation Formats

The Materials Project. Materials Data on K3Th by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1732077.
The Materials Project. Materials Data on K3Th by Materials Project. United States. doi:https://doi.org/10.17188/1732077
The Materials Project. 2020. "Materials Data on K3Th by Materials Project". United States. doi:https://doi.org/10.17188/1732077. https://www.osti.gov/servlets/purl/1732077. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1732077,
title = {Materials Data on K3Th by Materials Project},
author = {The Materials Project},
abstractNote = {K3Th 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 Th atoms to form distorted KK8Th4 cuboctahedra that share corners with twelve equivalent KK8Th4 cuboctahedra, edges with eight equivalent KK8Th4 cuboctahedra, edges with eight equivalent ThK12 cuboctahedra, faces with four equivalent ThK12 cuboctahedra, and faces with ten equivalent KK8Th4 cuboctahedra. There are four shorter (3.98 Å) and four longer (4.36 Å) K–K bond lengths. All K–Th bond lengths are 4.36 Å. In the second K site, K is bonded in a square co-planar geometry to eight equivalent K and four equivalent Th atoms. All K–Th bond lengths are 3.98 Å. Th is bonded to twelve K atoms to form ThK12 cuboctahedra that share corners with four equivalent ThK12 cuboctahedra, edges with eight equivalent ThK12 cuboctahedra, edges with sixteen equivalent KK8Th4 cuboctahedra, faces with four equivalent ThK12 cuboctahedra, and faces with eight equivalent KK8Th4 cuboctahedra.},
doi = {10.17188/1732077},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}