U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on K2InAuCl6 by Materials Project
Abstract
K2AuInCl6 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 AuCl6 octahedra, and faces with four equivalent InCl6 octahedra. All K–Cl bond lengths are 3.71 Å. Au1+ is bonded to six equivalent Cl1- atoms to form AuCl6 octahedra that share corners with six equivalent InCl6 octahedra and faces with eight equivalent KCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Au–Cl bond lengths are 2.69 Å. In3+ is bonded to six equivalent Cl1- atoms to form InCl6 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 In–Cl bond lengths are 2.56 Å. Cl1- is bonded to four equivalent K1+, one Au1+, and one In3+ atom to form a mixture of distorted edge, face, and corner-sharing ClK4InAu octahedra. The corner-sharing octahedra tilt angles range from 0–60°.
- Publication Date:
- Other Number(s):
- mp-1111983
- DOE Contract Number:
- AC02-05CH11231;
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; Au-Cl-In-K; crystal structure; K2InAuCl6
- OSTI Identifier:
- 1663854
- DOI:
- https://doi.org/10.17188/1663854
Citation Formats
Materials Data on K2InAuCl6 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1663854.
Materials Data on K2InAuCl6 by Materials Project. United States. doi:https://doi.org/10.17188/1663854
2020.
"Materials Data on K2InAuCl6 by Materials Project". United States. doi:https://doi.org/10.17188/1663854. https://www.osti.gov/servlets/purl/1663854. Pub date:Fri Jul 17 20:00:00 EDT 2020
@article{osti_1663854,
title = {Materials Data on K2InAuCl6 by Materials Project},
abstractNote = {K2AuInCl6 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 AuCl6 octahedra, and faces with four equivalent InCl6 octahedra. All K–Cl bond lengths are 3.71 Å. Au1+ is bonded to six equivalent Cl1- atoms to form AuCl6 octahedra that share corners with six equivalent InCl6 octahedra and faces with eight equivalent KCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Au–Cl bond lengths are 2.69 Å. In3+ is bonded to six equivalent Cl1- atoms to form InCl6 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 In–Cl bond lengths are 2.56 Å. Cl1- is bonded to four equivalent K1+, one Au1+, and one In3+ atom to form a mixture of distorted edge, face, and corner-sharing ClK4InAu octahedra. The corner-sharing octahedra tilt angles range from 0–60°.},
doi = {10.17188/1663854},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}