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Title: Materials Data on K2TmAuCl6 by Materials Project

Abstract

K2TmAuCl6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. K1+ is bonded to twelve equivalent Cl1- atoms to form KCl12 cuboctahedra that share corners with twelve equivalent KCl12 cuboctahedra, faces with six equivalent KCl12 cuboctahedra, faces with four equivalent TmCl6 octahedra, and faces with four equivalent AuCl6 octahedra. All K–Cl bond lengths are 3.77 Å. Tm3+ is bonded to six equivalent Cl1- atoms to form TmCl6 octahedra that share corners with six equivalent AuCl6 octahedra and faces with eight equivalent KCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Tm–Cl bond lengths are 2.59 Å. Au1+ is bonded to six equivalent Cl1- atoms to form AuCl6 octahedra that share corners with six equivalent TmCl6 octahedra and faces with eight equivalent KCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Au–Cl bond lengths are 2.74 Å. Cl1- is bonded in a 6-coordinate geometry to four equivalent K1+, one Tm3+, and one Au1+ atom.

Authors:
Publication Date:
Other Number(s):
mp-1112061
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; K2TmAuCl6; Au-Cl-K-Tm
OSTI Identifier:
1718557
DOI:
https://doi.org/10.17188/1718557

Citation Formats

The Materials Project. Materials Data on K2TmAuCl6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1718557.
The Materials Project. Materials Data on K2TmAuCl6 by Materials Project. United States. doi:https://doi.org/10.17188/1718557
The Materials Project. 2020. "Materials Data on K2TmAuCl6 by Materials Project". United States. doi:https://doi.org/10.17188/1718557. https://www.osti.gov/servlets/purl/1718557. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1718557,
title = {Materials Data on K2TmAuCl6 by Materials Project},
author = {The Materials Project},
abstractNote = {K2TmAuCl6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. K1+ is bonded to twelve equivalent Cl1- atoms to form KCl12 cuboctahedra that share corners with twelve equivalent KCl12 cuboctahedra, faces with six equivalent KCl12 cuboctahedra, faces with four equivalent TmCl6 octahedra, and faces with four equivalent AuCl6 octahedra. All K–Cl bond lengths are 3.77 Å. Tm3+ is bonded to six equivalent Cl1- atoms to form TmCl6 octahedra that share corners with six equivalent AuCl6 octahedra and faces with eight equivalent KCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Tm–Cl bond lengths are 2.59 Å. Au1+ is bonded to six equivalent Cl1- atoms to form AuCl6 octahedra that share corners with six equivalent TmCl6 octahedra and faces with eight equivalent KCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Au–Cl bond lengths are 2.74 Å. Cl1- is bonded in a 6-coordinate geometry to four equivalent K1+, one Tm3+, and one Au1+ atom.},
doi = {10.17188/1718557},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}