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DOE OSTI2020

Materials Data on Rb(CoSe)2 by Materials Project

Rb(CoSe)2 is alpha bismuth trifluoride-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Rb1+ is bonded in a body-centered cubic geometry to eight equivalent Se2- atoms. All Rb–Se bond lengths are 3.52 Å. Co+1.50+ is bonded to four equivalent Se2- atoms to form a mixture of edge and corner-sharing CoSe4 tetrahedra. All Co–Se bond lengths are 2.36 Å. Se2- is bonded in a 8-coordinate geometry to four equivalent Rb1+ and four equivalent Co+1.50+ atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on Rb2CoSe2 by Materials Project

Rb2CoSe2 crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. Rb1+ is bonded in a 6-coordinate geometry to six equivalent Se2- atoms. There are a spread of Rb–Se bond distances ranging from 3.51–3.68 Å. Co2+ is bonded to four equivalent Se2- atoms to form edge-sharing CoSe4 tetrahedra. All Co–Se bond lengths are 2.45 Å. Se2- is bonded in a 2-coordinate geometry to six equivalent Rb1+ and two equivalent Co2+ atoms.

36 MATERIALS SCIENCE↗