Materials Data on Nd23Cd4Pt7 by Materials Project

Abstract

Nd23Pt7Cd4 crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. there are nine inequivalent Nd sites. In the first Nd site, Nd is bonded in a distorted bent 150 degrees geometry to two equivalent Pt and two Cd atoms. Both Nd–Pt bond lengths are 2.94 Å. There are one shorter (3.65 Å) and one longer (3.68 Å) Nd–Cd bond lengths. In the second Nd site, Nd is bonded in a distorted T-shaped geometry to three Pt atoms. There are two shorter (2.98 Å) and one longer (3.07 Å) Nd–Pt bond lengths. In the third Nd site, Nd is bonded in a distorted bent 150 degrees geometry to two Pt and two equivalent Cd atoms. There are one shorter (2.94 Å) and one longer (2.95 Å) Nd–Pt bond lengths. Both Nd–Cd bond lengths are 3.64 Å. In the fourth Nd site, Nd is bonded in a 3-coordinate geometry to three Pt and three Cd atoms. There are one shorter (2.94 Å) and two longer (2.96 Å) Nd–Pt bond lengths. There are two shorter (3.52 Å) and one longer (3.56 Å) Nd–Cd bond lengths. In the fifth Nd site, Nd is bonded in a 1-coordinate geometry to two equivalent Pt and one Cd atom. Both Nd–Pt bond lengths are 3.69 Å. The Nd–Cd bond length is 3.40 Å. In the sixth Nd site, Nd is bonded in a 3-coordinate geometry to three equivalent Pt atoms. All Nd–Pt bond lengths are 2.96 Å. In the seventh Nd site, Nd is bonded in a 2-coordinate geometry to four Pt and one Cd atom. There are two shorter (2.89 Å) and two longer (3.61 Å) Nd–Pt bond lengths. The Nd–Cd bond length is 3.42 Å. In the eighth Nd site, Nd is bonded in a 4-coordinate geometry to two Pt and two equivalent Cd atoms. There are one shorter (3.52 Å) and one longer (3.68 Å) Nd–Pt bond lengths. Both Nd–Cd bond lengths are 3.43 Å. In the ninth Nd site, Nd is bonded in a 3-coordinate geometry to three equivalent Pt and three equivalent Cd atoms. All Nd–Pt bond lengths are 2.95 Å. All Nd–Cd bond lengths are 3.57 Å. There are three inequivalent Pt sites. In the first Pt site, Pt is bonded in a 6-coordinate geometry to nine Nd atoms. In the second Pt site, Pt is bonded in a 6-coordinate geometry to eight Nd atoms. In the third Pt site, Pt is bonded in a 6-coordinate geometry to nine Nd atoms. There are two inequivalent Cd sites. In the first Cd site, Cd is bonded to nine Nd and three equivalent Cd atoms to form distorted face-sharing CdNd9Cd3 cuboctahedra. All Cd–Cd bond lengths are 3.22 Å. In the second Cd site, Cd is bonded to nine Nd and three Cd atoms to form a mixture of distorted corner and face-sharing CdNd9Cd3 cuboctahedra. Both Cd–Cd bond lengths are 3.26 Å.