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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Mg(P2Rh3)2 by Materials Project

Mg(Rh3P2)2 crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Mg is bonded to six equivalent Rh and six equivalent P atoms to form face-sharing MgP6Rh6 cuboctahedra. All Mg–Rh bond lengths are 2.95 Å. All Mg–P bond lengths are 2.91 Å. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 6-coordinate geometry to two equivalent Mg and four P atoms. There are two shorter (2.33 Å) and two longer (2.49 Å) Rh–P bond lengths. In the second Rh site, Rh is bonded in a 5-coordinate geometry to five P atoms. There are four shorter (2.47 Å) and one longer (2.48 Å) Rh–P bond lengths. There are two inequivalent P sites. In the first P site, P is bonded in a 8-coordinate geometry to two equivalent Mg and six Rh atoms. In the second P site, P is bonded in a 9-coordinate geometry to nine Rh atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on P2Rh3 by Materials Project

Rh3P2 crystallizes in the tetragonal P-4m2 space group. The structure is three-dimensional. there are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 4-coordinate geometry to four equivalent P atoms. All Rh–P bond lengths are 2.33 Å. In the second Rh site, Rh is bonded in a 5-coordinate geometry to five equivalent P atoms. There are one shorter (2.36 Å) and four longer (2.48 Å) Rh–P bond lengths. P is bonded to seven Rh atoms to form a mixture of distorted edge, corner, and face-sharing PRh7 pentagonal bipyramids.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Yb(P2Rh3)2 by Materials Project

Yb(Rh3P2)2 crystallizes in the hexagonal P-6 space group. The structure is three-dimensional. Yb is bonded to six equivalent Rh and six equivalent P atoms to form distorted face-sharing YbP6Rh6 cuboctahedra. All Yb–Rh bond lengths are 3.04 Å. All Yb–P bond lengths are 2.94 Å. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 5-coordinate geometry to five P atoms. There are three shorter (2.44 Å) and two longer (2.60 Å) Rh–P bond lengths. In the second Rh site, Rh is bonded in a 6-coordinate geometry to two equivalent Yb and four P atoms. There are a spread of Rh–P bond distances ranging from 2.33–2.48 Å. There are two inequivalent P sites. In the first P site, P is bonded in a 9-coordinate geometry to nine Rh atoms. In the second P site, P is bonded in a 8-coordinate geometry to two equivalent Yb and six Rh atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Lu(P2Rh3)2 by Materials Project

Lu(Rh3P2)2 crystallizes in the trigonal P3 space group. The structure is three-dimensional. Lu is bonded to six equivalent Rh and six equivalent P atoms to form face-sharing LuP6Rh6 cuboctahedra. There are three shorter (3.00 Å) and three longer (3.01 Å) Lu–Rh bond lengths. All Lu–P bond lengths are 2.95 Å. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 5-coordinate geometry to five P atoms. There are a spread of Rh–P bond distances ranging from 2.42–2.52 Å. In the second Rh site, Rh is bonded in a 6-coordinate geometry to two equivalent Lu and four P atoms. There are a spread of Rh–P bond distances ranging from 2.32–2.51 Å. There are two inequivalent P sites. In the first P site, P is bonded in a 9-coordinate geometry to nine Rh atoms. In the second P site, P is bonded in a 8-coordinate geometry to two equivalent Lu and six Rh atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sc(P2Rh3)2 by Materials Project

Sc(Rh3P2)2 crystallizes in the hexagonal P-6 space group. The structure is three-dimensional. Sc is bonded to six equivalent Rh and six equivalent P atoms to form face-sharing ScP6Rh6 cuboctahedra. All Sc–Rh bond lengths are 2.98 Å. All Sc–P bond lengths are 2.92 Å. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 5-coordinate geometry to five P atoms. There are a spread of Rh–P bond distances ranging from 2.42–2.59 Å. In the second Rh site, Rh is bonded in a 6-coordinate geometry to two equivalent Sc and four P atoms. There are a spread of Rh–P bond distances ranging from 2.28–2.51 Å. There are two inequivalent P sites. In the first P site, P is bonded in a 9-coordinate geometry to nine Rh atoms. In the second P site, P is bonded in a 8-coordinate geometry to two equivalent Sc and six Rh atoms.

36 MATERIALS SCIENCE↗