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DOE OSTI2020

Materials Data on Dy5SbAu2 by Materials Project

Dy5Au2Sb crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Dy sites. In the first Dy site, Dy is bonded in a distorted trigonal planar geometry to one Au and two equivalent Sb atoms. The Dy–Au bond length is 2.91 Å. Both Dy–Sb bond lengths are 3.12 Å. In the second Dy site, Dy is bonded in a square co-planar geometry to four equivalent Au atoms. All Dy–Au bond lengths are 2.91 Å. Au is bonded to four Dy and one Au atom to form distorted corner-sharing AuDy4Au trigonal bipyramids. The Au–Au bond length is 2.67 Å. Sb is bonded in a 8-coordinate geometry to eight equivalent Dy atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on Dy5SbAu2 by Materials Project

Dy5Au2Sb crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Dy sites. In the first Dy site, Dy is bonded to four equivalent Au and two equivalent Sb atoms to form corner-sharing DySb2Au4 octahedra. The corner-sharing octahedra tilt angles range from 0–49°. All Dy–Au bond lengths are 3.15 Å. Both Dy–Sb bond lengths are 3.25 Å. In the second Dy site, Dy is bonded in a 5-coordinate geometry to three equivalent Au and two equivalent Sb atoms. There are one shorter (3.01 Å) and two longer (3.02 Å) Dy–Au bond lengths. Both Dy–Sb bond lengths are 3.37 Å. Au is bonded in a 8-coordinate geometry to eight Dy atoms. Sb is bonded in a distorted q6 geometry to ten Dy atoms.

36 MATERIALS SCIENCE↗