DOE OSTI2020
Pr23Rh7Cd4 crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. there are nine inequivalent Pr sites. In the first Pr site, Pr is bonded in a distorted bent 150 degrees geometry to two equivalent Rh and two Cd atoms. Both Pr–Rh bond lengths are 2.90 Å. There are one shorter (3.67 Å) and one longer (3.70 Å) Pr–Cd bond lengths. In the second Pr site, Pr is bonded in a distorted T-shaped geometry to three Rh atoms. There are two shorter (2.96 Å) and one longer (3.05 Å) Pr–Rh bond lengths. In the third Pr site, Pr is bonded in a distorted bent 150 degrees geometry to two Rh and two equivalent Cd atoms. There are one shorter (2.87 Å) and one longer (2.91 Å) Pr–Rh bond lengths. Both Pr–Cd bond lengths are 3.65 Å. In the fourth Pr site, Pr is bonded in a 3-coordinate geometry to three Rh and three Cd atoms. There are two shorter (2.93 Å) and one longer (2.96 Å) Pr–Rh bond lengths. There are two shorter (3.56 Å) and one longer (3.59 Å) Pr–Cd bond lengths. In the fifth Pr site, Pr is bonded in a 3-coordinate geometry to two equivalent Rh and one Cd atom. Both Pr–Rh bond lengths are 3.65 Å. The Pr–Cd bond length is 3.40 Å. In the sixth Pr site, Pr is bonded in a 3-coordinate geometry to three equivalent Rh atoms. All Pr–Rh bond lengths are 2.94 Å. In the seventh Pr site, Pr is bonded in a 2-coordinate geometry to four Rh and one Cd atom. There are two shorter (2.89 Å) and two longer (3.63 Å) Pr–Rh bond lengths. The Pr–Cd bond length is 3.41 Å. In the eighth Pr site, Pr is bonded in a 4-coordinate geometry to two Rh and two equivalent Cd atoms. There are one shorter (3.50 Å) and one longer (3.62 Å) Pr–Rh bond lengths. Both Pr–Cd bond lengths are 3.43 Å. In the ninth Pr site, Pr is bonded in a 3-coordinate geometry to three equivalent Rh and three equivalent Cd atoms. All Pr–Rh bond lengths are 2.92 Å. All Pr–Cd bond lengths are 3.57 Å. There are three inequivalent Rh sites. In the first Rh site, Rh is bonded in a 6-coordinate geometry to nine Pr atoms. In the second Rh site, Rh is bonded in a 6-coordinate geometry to eight Pr atoms. In the third Rh site, Rh is bonded in a 6-coordinate geometry to nine Pr atoms. There are two inequivalent Cd sites. In the first Cd site, Cd is bonded to nine Pr and three equivalent Cd atoms to form distorted face-sharing CdPr9Cd3 cuboctahedra. All Cd–Cd bond lengths are 3.20 Å. In the second Cd site, Cd is bonded to nine Pr and three Cd atoms to form a mixture of distorted corner and face-sharing CdPr9Cd3 cuboctahedra. Both Cd–Cd bond lengths are 3.22 Å.