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DOE OSTI2020

Materials Data on K3Os by Materials Project

K3Os is alpha bismuth trifluoride 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 four equivalent K and four equivalent Os atoms to form a mixture of distorted edge, corner, and face-sharing KK4Os4 tetrahedra. All K–K bond lengths are 3.59 Å. All K–Os bond lengths are 3.59 Å. In the second K site, K is bonded in a 10-coordinate geometry to eight equivalent K and two equivalent Os atoms. Both K–Os bond lengths are 4.00 Å. Os is bonded in a distorted body-centered cubic geometry to ten K atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on K3Os by Materials Project

K3Os is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent K sites. In the first K site, K is bonded to four equivalent K and four equivalent Os atoms to form a mixture of distorted face, edge, and corner-sharing KK4Os4 tetrahedra. All K–K bond lengths are 3.59 Å. All K–Os bond lengths are 3.59 Å. In the second K site, K is bonded in a 8-coordinate geometry to eight equivalent K and six equivalent Os atoms. All K–Os bond lengths are 4.14 Å. Os is bonded in a body-centered cubic geometry to fourteen K atoms.

36 MATERIALS SCIENCE↗