DOE OSTI2020
Tb11Ge4In6 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are four inequivalent Tb sites. In the first Tb site, Tb is bonded in a 7-coordinate geometry to four equivalent In and three Ge atoms. There are two shorter (3.38 Å) and two longer (3.46 Å) Tb–In bond lengths. There are a spread of Tb–Ge bond distances ranging from 3.09–3.24 Å. In the second Tb site, Tb is bonded in a 5-coordinate geometry to four In and three Ge atoms. There are two shorter (3.11 Å) and two longer (3.36 Å) Tb–In bond lengths. All Tb–Ge bond lengths are 3.02 Å. In the third Tb site, Tb is bonded in a 7-coordinate geometry to three In and four Ge atoms. There are one shorter (3.32 Å) and two longer (3.48 Å) Tb–In bond lengths. There are two shorter (2.84 Å) and two longer (3.36 Å) Tb–Ge bond lengths. In the fourth Tb site, Tb is bonded in a 9-coordinate geometry to eight In and one Ge atom. There are four shorter (3.37 Å) and four longer (3.45 Å) Tb–In bond lengths. The Tb–Ge bond length is 3.54 Å. There are two inequivalent In sites. In the first In site, In is bonded in a 10-coordinate geometry to eight Tb and two In atoms. There are one shorter (2.95 Å) and one longer (3.07 Å) In–In bond lengths. In the second In site, In is bonded in a 11-coordinate geometry to seven Tb and four In atoms. Both In–In bond lengths are 3.00 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 8-coordinate geometry to eight Tb atoms. In the second Ge site, Ge is bonded in a 9-coordinate geometry to nine Tb atoms. In the third Ge site, Ge is bonded in a 8-coordinate geometry to eight Tb atoms.