Materials Data on Dy2As7Rh12 by Materials Project
Dy2Rh12As7 crystallizes in the trigonal P3 space group. The structure is three-dimensional. there are two inequivalent Dy sites. In the first Dy site, Dy is bonded to six equivalent Rh and six equivalent As atoms to form distorted DyAs6Rh6 cuboctahedra that share corners with twelve RhAs4 tetrahedra, edges with three equivalent RhAs4 tetrahedra, and faces with two equivalent DyAs6Rh6 cuboctahedra. There are three shorter (3.14 Å) and three longer (3.15 Å) Dy–Rh bond lengths. All Dy–As bond lengths are 3.11 Å. In the second Dy site, Dy is bonded to six equivalent Rh and six equivalent As atoms to form distorted DyAs6Rh6 cuboctahedra that share corners with twelve RhAs4 tetrahedra, edges with three equivalent RhAs4 tetrahedra, and faces with two equivalent DyAs6Rh6 cuboctahedra. All Dy–Rh bond lengths are 3.15 Å. There are three shorter (3.09 Å) and three longer (3.10 Å) Dy–As bond lengths. There are four inequivalent Rh sites. In the first Rh site, Rh is bonded in a 6-coordinate geometry to two equivalent Dy and four As atoms. There are a spread of Rh–As bond distances ranging from 2.42–2.61 Å. In the second Rh site, Rh is bonded in a 6-coordinate geometry to two equivalent Dy and four As atoms. There are a spread of Rh–As bond distances ranging from 2.41–2.64 Å. In the third Rh site, Rh is bonded to four As atoms to form distorted RhAs4 tetrahedra that share corners with four DyAs6Rh6 cuboctahedra, corners with seven RhAs4 tetrahedra, an edgeedge with one DyAs6Rh6 cuboctahedra, and edges with two equivalent RhAs4 tetrahedra. There are a spread of Rh–As bond distances ranging from 2.42–2.52 Å. In the fourth Rh site, Rh is bonded to four As atoms to form distorted RhAs4 tetrahedra that share corners with four DyAs6Rh6 cuboctahedra, corners with seven RhAs4 tetrahedra, an edgeedge with one DyAs6Rh6 cuboctahedra, and edges with two equivalent RhAs4 tetrahedra. There are a spread of Rh–As bond distances ranging from 2.46–2.60 Å. There are three inequivalent As sites. In the first As site, As is bonded in a distorted octahedral geometry to six Rh atoms. In the second As site, As is bonded in a 9-coordinate geometry to two equivalent Dy and seven Rh atoms. In the third As site, As is bonded in a 9-coordinate geometry to two equivalent Dy and seven Rh atoms.