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Materials Data on RbMg6Co by Materials Project

RbMg6Co crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. Rb is bonded to ten Mg and two equivalent Co atoms to form RbMg10Co2 cuboctahedra that share corners with six equivalent RbMg10Co2 cuboctahedra, edges with four equivalent MgRb2Mg10 cuboctahedra, faces with two equivalent RbMg10Co2 cuboctahedra, and faces with two equivalent MgRb2Mg10 cuboctahedra. There are a spread of Rb–Mg bond distances ranging from 3.21–3.37 Å. Both Rb–Co bond lengths are 3.35 Å. There are four inequivalent Mg sites. In the first Mg site, Mg is bonded in a distorted single-bond geometry to two equivalent Rb, six Mg, and one Co atom. There are a spread of Mg–Mg bond distances ranging from 3.18–3.28 Å. The Mg–Co bond length is 2.58 Å. In the second Mg site, Mg is bonded in a 2-coordinate geometry to two equivalent Rb, seven Mg, and two equivalent Co atoms. There are a spread of Mg–Mg bond distances ranging from 2.93–3.40 Å. Both Mg–Co bond lengths are 3.03 Å. In the third Mg site, Mg is bonded in a distorted q6 geometry to ten Mg atoms. Both Mg–Mg bond lengths are 3.28 Å. In the fourth Mg site, Mg is bonded to two equivalent Rb and ten Mg atoms to form distorted MgRb2Mg10 cuboctahedra that share corners with six equivalent MgRb2Mg10 cuboctahedra, edges with four equivalent RbMg10Co2 cuboctahedra, faces with two equivalent RbMg10Co2 cuboctahedra, and faces with two equivalent MgRb2Mg10 cuboctahedra. Co is bonded in a 8-coordinate geometry to two equivalent Rb and six Mg atoms.

36 MATERIALS SCIENCE↗

Materials Data on RbMg6Co by Materials Project

RbMg6Co crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. Rb is bonded in a 2-coordinate geometry to eight Mg and two equivalent Co atoms. There are a spread of Rb–Mg bond distances ranging from 3.33–4.00 Å. Both Rb–Co bond lengths are 3.71 Å. There are four inequivalent Mg sites. In the first Mg site, Mg is bonded in a distorted single-bond geometry to two equivalent Rb, two equivalent Mg, and one Co atom. Both Mg–Mg bond lengths are 3.17 Å. The Mg–Co bond length is 2.57 Å. In the second Mg site, Mg is bonded in a 2-coordinate geometry to four equivalent Mg and two equivalent Co atoms. All Mg–Mg bond lengths are 3.09 Å. Both Mg–Co bond lengths are 3.27 Å. In the third Mg site, Mg is bonded in a distorted bent 120 degrees geometry to one Rb, two equivalent Mg, and two equivalent Co atoms. Both Mg–Co bond lengths are 2.68 Å. In the fourth Mg site, Mg is bonded in a 2-coordinate geometry to two equivalent Rb and four equivalent Mg atoms. Co is bonded in a 6-coordinate geometry to two equivalent Rb and eight Mg atoms.

36 MATERIALS SCIENCE↗