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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 KRb3 by Materials Project

Rb3K crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Rb is bonded in a 12-coordinate geometry to eight equivalent Rb and four equivalent K atoms. There are a spread of Rb–Rb bond distances ranging from 4.94–5.11 Å. There are two shorter (4.89 Å) and two longer (5.04 Å) Rb–K bond lengths. K is bonded in a 12-coordinate geometry to twelve equivalent Rb atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on KRb3 by Materials Project

Rb3K is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Rb is bonded to eight equivalent Rb and four equivalent K atoms to form RbK4Rb8 cuboctahedra that share corners with twelve equivalent RbK4Rb8 cuboctahedra, edges with eight equivalent KRb12 cuboctahedra, edges with sixteen equivalent RbK4Rb8 cuboctahedra, faces with four equivalent KRb12 cuboctahedra, and faces with fourteen equivalent RbK4Rb8 cuboctahedra. All Rb–Rb bond lengths are 4.96 Å. All Rb–K bond lengths are 4.96 Å. K is bonded to twelve equivalent Rb atoms to form KRb12 cuboctahedra that share corners with twelve equivalent KRb12 cuboctahedra, edges with twenty-four equivalent RbK4Rb8 cuboctahedra, faces with six equivalent KRb12 cuboctahedra, and faces with twelve equivalent RbK4Rb8 cuboctahedra.

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↗