U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on K3Tl by Materials Project
Abstract
K3Tl is beta Cu3Ti-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 Tl atoms to form distorted KK8Tl4 cuboctahedra that share corners with twelve equivalent KK8Tl4 cuboctahedra, edges with eight equivalent TlK12 cuboctahedra, edges with sixteen KK8Tl4 cuboctahedra, faces with four equivalent TlK12 cuboctahedra, and faces with fourteen KK8Tl4 cuboctahedra. There are four shorter (4.15 Å) and four longer (4.18 Å) K–K bond lengths. All K–Tl bond lengths are 4.15 Å. In the second K site, K is bonded to eight equivalent K and four equivalent Tl atoms to form distorted KK8Tl4 cuboctahedra that share corners with four equivalent KK8Tl4 cuboctahedra, corners with eight equivalent TlK12 cuboctahedra, edges with twenty-four KK8Tl4 cuboctahedra, faces with six equivalent TlK12 cuboctahedra, and faces with twelve KK8Tl4 cuboctahedra. All K–Tl bond lengths are 4.18 Å. Tl is bonded to twelve K atoms to form TlK12 cuboctahedra that share corners with four equivalent TlK12 cuboctahedra, corners with eight equivalent KK8Tl4 cuboctahedra, edges with eight equivalent TlK12 cuboctahedra, edges with sixteen equivalent KK8Tl4 cuboctahedra, faces with four equivalent TlK12 cuboctahedra, andmore »
- Publication Date:
- Other Number(s):
- mp-1185120
- 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; K-Tl; K3Tl; crystal structure
- OSTI Identifier:
- 1665484
- DOI:
- https://doi.org/10.17188/1665484
Citation Formats
Materials Data on K3Tl by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1665484.
Materials Data on K3Tl by Materials Project. United States. doi:https://doi.org/10.17188/1665484
2020.
"Materials Data on K3Tl by Materials Project". United States. doi:https://doi.org/10.17188/1665484. https://www.osti.gov/servlets/purl/1665484. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1665484,
title = {Materials Data on K3Tl by Materials Project},
abstractNote = {K3Tl is beta Cu3Ti-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 Tl atoms to form distorted KK8Tl4 cuboctahedra that share corners with twelve equivalent KK8Tl4 cuboctahedra, edges with eight equivalent TlK12 cuboctahedra, edges with sixteen KK8Tl4 cuboctahedra, faces with four equivalent TlK12 cuboctahedra, and faces with fourteen KK8Tl4 cuboctahedra. There are four shorter (4.15 Å) and four longer (4.18 Å) K–K bond lengths. All K–Tl bond lengths are 4.15 Å. In the second K site, K is bonded to eight equivalent K and four equivalent Tl atoms to form distorted KK8Tl4 cuboctahedra that share corners with four equivalent KK8Tl4 cuboctahedra, corners with eight equivalent TlK12 cuboctahedra, edges with twenty-four KK8Tl4 cuboctahedra, faces with six equivalent TlK12 cuboctahedra, and faces with twelve KK8Tl4 cuboctahedra. All K–Tl bond lengths are 4.18 Å. Tl is bonded to twelve K atoms to form TlK12 cuboctahedra that share corners with four equivalent TlK12 cuboctahedra, corners with eight equivalent KK8Tl4 cuboctahedra, edges with eight equivalent TlK12 cuboctahedra, edges with sixteen equivalent KK8Tl4 cuboctahedra, faces with four equivalent TlK12 cuboctahedra, and faces with fourteen KK8Tl4 cuboctahedra.},
doi = {10.17188/1665484},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Jul 23 00:00:00 EDT 2020},
month = {Thu Jul 23 00:00:00 EDT 2020}
}