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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on K2PtBr6 by Materials Project

K2PtBr6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. K1+ is bonded to twelve equivalent Br1- atoms to form KBr12 cuboctahedra that share corners with twelve equivalent KBr12 cuboctahedra, faces with six equivalent KBr12 cuboctahedra, and faces with four equivalent PtBr6 octahedra. All K–Br bond lengths are 3.74 Å. Pt4+ is bonded to six equivalent Br1- atoms to form PtBr6 octahedra that share faces with eight equivalent KBr12 cuboctahedra. All Pt–Br bond lengths are 2.50 Å. Br1- is bonded in a distorted single-bond geometry to four equivalent K1+ and one Pt4+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on K2PtBr6 by Materials Project

K2PtBr6 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. K1+ is bonded in a distorted rectangular see-saw-like geometry to eight Br1- atoms. There are a spread of K–Br bond distances ranging from 3.33–4.01 Å. Pt4+ is bonded in a square co-planar geometry to four equivalent Br1- atoms. All Pt–Br bond lengths are 2.46 Å. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 2-coordinate geometry to two equivalent K1+ and one Br1- atom. The Br–Br bond length is 2.48 Å. In the second Br1- site, Br1- is bonded in a distorted water-like geometry to three equivalent K1+ and one Pt4+ atom.

36 MATERIALS SCIENCE↗