DOE OSTI2020
Tb23Rh7Cd4 crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. there are nine inequivalent Tb sites. In the first Tb site, Tb is bonded in a distorted bent 150 degrees geometry to two equivalent Rh and two Cd atoms. Both Tb–Rh bond lengths are 2.82 Å. There are one shorter (3.57 Å) and one longer (3.58 Å) Tb–Cd bond lengths. In the second Tb site, Tb is bonded in a distorted T-shaped geometry to three Rh atoms. There are two shorter (2.87 Å) and one longer (2.94 Å) Tb–Rh bond lengths. In the third Tb site, Tb is bonded in a distorted bent 150 degrees geometry to two Rh and two equivalent Cd atoms. There are one shorter (2.79 Å) and one longer (2.82 Å) Tb–Rh bond lengths. Both Tb–Cd bond lengths are 3.56 Å. In the fourth Tb site, Tb is bonded in a 3-coordinate geometry to three Rh and three Cd atoms. There are one shorter (2.83 Å) and two longer (2.85 Å) Tb–Rh bond lengths. There are two shorter (3.45 Å) and one longer (3.49 Å) Tb–Cd bond lengths. In the fifth Tb site, Tb is bonded in a 3-coordinate geometry to two equivalent Rh and one Cd atom. Both Tb–Rh bond lengths are 3.54 Å. The Tb–Cd bond length is 3.28 Å. In the sixth Tb site, Tb is bonded in a 3-coordinate geometry to three equivalent Rh atoms. All Tb–Rh bond lengths are 2.84 Å. In the seventh Tb site, Tb is bonded in a 2-coordinate geometry to four Rh and one Cd atom. There are two shorter (2.80 Å) and two longer (3.49 Å) Tb–Rh bond lengths. The Tb–Cd bond length is 3.30 Å. In the eighth Tb site, Tb is bonded in a 4-coordinate geometry to two Rh and two equivalent Cd atoms. There are one shorter (3.41 Å) and one longer (3.53 Å) Tb–Rh bond lengths. Both Tb–Cd bond lengths are 3.32 Å. In the ninth Tb site, Tb is bonded in a 3-coordinate geometry to three equivalent Rh and three equivalent Cd atoms. All Tb–Rh bond lengths are 2.83 Å. All Tb–Cd bond lengths are 3.45 Å. There are three inequivalent Rh sites. In the first Rh site, Rh is bonded in a 6-coordinate geometry to nine Tb atoms. In the second Rh site, Rh is bonded in a 6-coordinate geometry to eight Tb atoms. In the third Rh site, Rh is bonded in a 6-coordinate geometry to nine Tb atoms. There are two inequivalent Cd sites. In the first Cd site, Cd is bonded to nine Tb and three equivalent Cd atoms to form distorted face-sharing CdTb9Cd3 cuboctahedra. All Cd–Cd bond lengths are 3.10 Å. In the second Cd site, Cd is bonded to nine Tb and three Cd atoms to form a mixture of distorted face and corner-sharing CdTb9Cd3 cuboctahedra. Both Cd–Cd bond lengths are 3.15 Å.