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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on MgRh5 by Materials Project

Rh5Mg crystallizes in the monoclinic Cm space group. The structure is three-dimensional. Mg is bonded in a 12-coordinate geometry to ten Rh atoms. There are a spread of Mg–Rh bond distances ranging from 2.66–2.80 Å. There are five inequivalent Rh sites. In the first Rh site, Rh is bonded to two equivalent Mg and ten Rh atoms to form distorted RhMg2Rh10 cuboctahedra that share corners with eight RhMg2Rh10 cuboctahedra, edges with nine RhMg2Rh5 cuboctahedra, and faces with six RhMg2Rh10 cuboctahedra. There are a spread of Rh–Rh bond distances ranging from 2.68–2.77 Å. In the second Rh site, Rh is bonded to two equivalent Mg and five Rh atoms to form distorted RhMg2Rh5 cuboctahedra that share corners with eleven RhMg2Rh10 cuboctahedra, edges with eight RhMg2Rh10 cuboctahedra, and faces with two equivalent RhMg2Rh5 cuboctahedra. Both Rh–Rh bond lengths are 2.77 Å. In the third Rh site, Rh is bonded in a distorted single-bond geometry to one Mg and five Rh atoms. There are one shorter (2.66 Å) and two longer (2.73 Å) Rh–Rh bond lengths. In the fourth Rh site, Rh is bonded to two equivalent Mg and ten Rh atoms to form distorted RhMg2Rh10 cuboctahedra that share corners with eleven RhMg2Rh5 cuboctahedra, edges with seven RhMg2Rh10 cuboctahedra, and faces with six RhMg2Rh10 cuboctahedra. There are two shorter (2.72 Å) and two longer (2.77 Å) Rh–Rh bond lengths. In the fifth Rh site, Rh is bonded in a 12-coordinate geometry to three equivalent Mg and four Rh atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ce3(MgRh2)2 by Materials Project

Ce3(MgRh2)2 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. Mg is bonded to five Rh atoms to form a mixture of distorted face and corner-sharing MgRh5 tetrahedra. There are a spread of Mg–Rh bond distances ranging from 2.62–3.27 Å. There are two inequivalent Ce sites. In the first Ce site, Ce is bonded in a 5-coordinate geometry to seven Rh atoms. There are a spread of Ce–Rh bond distances ranging from 2.86–3.28 Å. In the second Ce site, Ce is bonded in a 7-coordinate geometry to seven Rh atoms. There are a spread of Ce–Rh bond distances ranging from 2.83–3.13 Å. There are three inequivalent Rh sites. In the first Rh site, Rh is bonded in a 8-coordinate geometry to two equivalent Mg, six Ce, and one Rh atom. The Rh–Rh bond length is 3.01 Å. In the second Rh site, Rh is bonded in a 7-coordinate geometry to four equivalent Mg, three Ce, and two equivalent Rh atoms. Both Rh–Rh bond lengths are 2.87 Å. In the third Rh site, Rh is bonded in a 4-coordinate geometry to two equivalent Mg, six Ce, and four Rh atoms.

36 MATERIALS SCIENCE↗