Materials Data on Dy4Ni3Bi8 by Materials Project
Dy4Ni3Bi8 crystallizes in the tetragonal P-4m2 space group. The structure is three-dimensional. there are two inequivalent Dy sites. In the first Dy site, Dy is bonded to four equivalent Ni and eight Bi atoms to form a mixture of distorted edge, face, and corner-sharing DyNi4Bi8 cuboctahedra. All Dy–Ni bond lengths are 3.12 Å. There are four shorter (3.30 Å) and four longer (3.41 Å) Dy–Bi bond lengths. In the second Dy site, Dy is bonded in a 11-coordinate geometry to two equivalent Ni and nine Bi atoms. Both Dy–Ni bond lengths are 3.11 Å. There are a spread of Dy–Bi bond distances ranging from 3.32–3.42 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a body-centered cubic geometry to four equivalent Dy and four equivalent Bi atoms. All Ni–Bi bond lengths are 2.66 Å. In the second Ni site, Ni is bonded in a body-centered cubic geometry to four equivalent Dy and four equivalent Bi atoms. All Ni–Bi bond lengths are 2.62 Å. There are four inequivalent Bi sites. In the first Bi site, Bi is bonded in a 7-coordinate geometry to five equivalent Dy and two equivalent Ni atoms. In the second Bi site, Bi is bonded in a 9-coordinate geometry to four equivalent Dy and four equivalent Ni atoms. In the third Bi site, Bi is bonded in a 8-coordinate geometry to four Dy and four equivalent Bi atoms. All Bi–Bi bond lengths are 3.22 Å. In the fourth Bi site, Bi is bonded in a 8-coordinate geometry to four Dy and four equivalent Bi atoms.