Materials Data on K2TlCoF6 by Materials Project

Dataset · Wed Aug 15 04:00:00 EDT 2018

DOI:https://doi.org/10.17188/1726617· OSTI ID:1726617

K2CoTlF6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. K1+ is bonded to twelve equivalent F1- atoms to form KF12 cuboctahedra that share corners with twelve equivalent KF12 cuboctahedra, faces with six equivalent KF12 cuboctahedra, faces with four equivalent CoF6 octahedra, and faces with four equivalent TlF6 octahedra. All K–F bond lengths are 3.16 Å. Co3+ is bonded to six equivalent F1- atoms to form CoF6 octahedra that share corners with six equivalent TlF6 octahedra and faces with eight equivalent KF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Co–F bond lengths are 1.88 Å. Tl1+ is bonded to six equivalent F1- atoms to form TlF6 octahedra that share corners with six equivalent CoF6 octahedra and faces with eight equivalent KF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Tl–F bond lengths are 2.57 Å. F1- is bonded in a 1-coordinate geometry to four equivalent K1+, one Co3+, and one Tl1+ atom.

• Research Organization: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
• Sponsoring Organization: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
• Contributing Organization: The Materials Project; MIT; UC Berkeley; Duke; U Louvain
• DOE Contract Number: AC02-05CH11231
• OSTI ID: 1726617
• Report Number(s): mp-1111102
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Co-F-K-Tl
K2TlCoF6
crystal structure