Materials Data on Sm23Cd4Ru7 by Materials Project

Abstract

Sm23Ru7Cd4 crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. there are nine inequivalent Sm sites. In the first Sm site, Sm is bonded in a distorted bent 150 degrees geometry to two equivalent Ru and two Cd atoms. Both Sm–Ru bond lengths are 2.80 Å. There are one shorter (3.61 Å) and one longer (3.63 Å) Sm–Cd bond lengths. In the second Sm site, Sm is bonded in a distorted T-shaped geometry to three Ru atoms. There are two shorter (2.86 Å) and one longer (2.93 Å) Sm–Ru bond lengths. In the third Sm site, Sm is bonded in a distorted bent 150 degrees geometry to two Ru and two equivalent Cd atoms. There are one shorter (2.75 Å) and one longer (2.80 Å) Sm–Ru bond lengths. Both Sm–Cd bond lengths are 3.59 Å. In the fourth Sm site, Sm is bonded in a 3-coordinate geometry to three Ru and three Cd atoms. All Sm–Ru bond lengths are 2.89 Å. There are two shorter (3.54 Å) and one longer (3.58 Å) Sm–Cd bond lengths. In the fifth Sm site, Sm is bonded in a 3-coordinate geometry to two equivalent Ru and one Cd atom. Both Sm–Ru bond lengths are 3.55 Å. The Sm–Cd bond length is 3.31 Å. In the sixth Sm site, Sm is bonded in a 3-coordinate geometry to three equivalent Ru atoms. All Sm–Ru bond lengths are 2.91 Å. In the seventh Sm site, Sm is bonded in a 2-coordinate geometry to four Ru and one Cd atom. There are two shorter (2.87 Å) and two longer (3.54 Å) Sm–Ru bond lengths. The Sm–Cd bond length is 3.32 Å. In the eighth Sm site, Sm is bonded in a 4-coordinate geometry to two Ru and two equivalent Cd atoms. There are one shorter (3.38 Å) and one longer (3.56 Å) Sm–Ru bond lengths. Both Sm–Cd bond lengths are 3.38 Å. In the ninth Sm site, Sm is bonded in a 3-coordinate geometry to three equivalent Ru and three equivalent Cd atoms. All Sm–Ru bond lengths are 2.86 Å. All Sm–Cd bond lengths are 3.54 Å. There are three inequivalent Ru sites. In the first Ru site, Ru is bonded in a 6-coordinate geometry to nine Sm atoms. In the second Ru site, Ru is bonded in a 6-coordinate geometry to eight Sm atoms. In the third Ru site, Ru is bonded in a 6-coordinate geometry to nine Sm atoms. There are two inequivalent Cd sites. In the first Cd site, Cd is bonded to nine Sm and three equivalent Cd atoms to form face-sharing CdSm9Cd3 cuboctahedra. All Cd–Cd bond lengths are 3.10 Å. In the second Cd site, Cd is bonded to nine Sm and three Cd atoms to form a mixture of distorted face and corner-sharing CdSm9Cd3 cuboctahedra. Both Cd–Cd bond lengths are 3.16 Å.