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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Tb5SbAu2 by Materials Project

Tb5Au2Sb crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Tb sites. In the first Tb site, Tb is bonded in a distorted trigonal planar geometry to one Au and two equivalent Sb atoms. The Tb–Au bond length is 2.92 Å. Both Tb–Sb bond lengths are 3.13 Å. In the second Tb site, Tb is bonded in a square co-planar geometry to four equivalent Au atoms. All Tb–Au bond lengths are 2.92 Å. Au is bonded to four Tb and one Au atom to form distorted corner-sharing AuTb4Au trigonal bipyramids. The Au–Au bond length is 2.67 Å. Sb is bonded in a 8-coordinate geometry to eight equivalent Tb atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Tb5SbAu2 by Materials Project

Tb5Au2Sb crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Tb sites. In the first Tb site, Tb is bonded to four equivalent Au and two equivalent Sb atoms to form corner-sharing TbSb2Au4 octahedra. The corner-sharing octahedra tilt angles range from 0–49°. All Tb–Au bond lengths are 3.17 Å. Both Tb–Sb bond lengths are 3.26 Å. In the second Tb site, Tb is bonded in a 5-coordinate geometry to three equivalent Au and two equivalent Sb atoms. There are one shorter (3.02 Å) and two longer (3.03 Å) Tb–Au bond lengths. Both Tb–Sb bond lengths are 3.38 Å. Au is bonded in a 8-coordinate geometry to eight Tb atoms. Sb is bonded in a distorted q6 geometry to ten Tb atoms.

36 MATERIALS SCIENCE↗