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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on KRb3 by Materials Project

Rb3K crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Rb sites. In the first Rb site, Rb is bonded in a 12-coordinate geometry to eight Rb atoms. There are four shorter (4.86 Å) and four longer (5.04 Å) Rb–Rb bond lengths. In the second Rb site, Rb is bonded to eight equivalent Rb and four equivalent K atoms to form a mixture of corner, edge, and face-sharing RbK4Rb8 cuboctahedra. All Rb–K bond lengths are 4.86 Å. K is bonded in a square co-planar geometry to four equivalent Rb atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on K3Rb by Materials Project

RbK3 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Rb is bonded to twelve K atoms to form a mixture of corner, edge, and face-sharing RbK12 cuboctahedra. There are four shorter (4.67 Å) and eight longer (4.86 Å) Rb–K bond lengths. There are two inequivalent K sites. In the first K site, K is bonded in a 12-coordinate geometry to four equivalent Rb and four equivalent K atoms. All K–K bond lengths are 4.67 Å. In the second K site, K is bonded in a square co-planar geometry to four equivalent Rb atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on KRb3 by Materials Project

Rb3K is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Rb sites. In the first Rb site, Rb is bonded in a body-centered cubic geometry to four equivalent Rb and four equivalent K atoms. All Rb–Rb bond lengths are 4.83 Å. All Rb–K bond lengths are 4.83 Å. In the second Rb site, Rb is bonded in a body-centered cubic geometry to eight equivalent Rb atoms. K is bonded in a body-centered cubic geometry to eight equivalent Rb atoms.

36 MATERIALS SCIENCE↗