DOE OSTI2020
Tb4RhInGe4 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are four inequivalent Tb sites. In the first Tb site, Tb is bonded in a 6-coordinate geometry to two equivalent Rh and six Ge atoms. Both Tb–Rh bond lengths are 3.37 Å. There are a spread of Tb–Ge bond distances ranging from 2.95–3.03 Å. In the second Tb site, Tb is bonded in a 11-coordinate geometry to three equivalent Rh, two equivalent In, and six Ge atoms. There are one shorter (3.10 Å) and two longer (3.13 Å) Tb–Rh bond lengths. Both Tb–In bond lengths are 3.41 Å. There are a spread of Tb–Ge bond distances ranging from 2.95–3.11 Å. In the third Tb site, Tb is bonded in a 9-coordinate geometry to one Rh, two equivalent In, and six Ge atoms. The Tb–Rh bond length is 3.25 Å. Both Tb–In bond lengths are 3.39 Å. There are a spread of Tb–Ge bond distances ranging from 2.98–3.11 Å. In the fourth Tb site, Tb is bonded in a 10-coordinate geometry to four In and six Ge atoms. There are two shorter (3.44 Å) and two longer (3.48 Å) Tb–In bond lengths. There are a spread of Tb–Ge bond distances ranging from 2.97–3.23 Å. Rh is bonded in a 4-coordinate geometry to six Tb and four Ge atoms. There are a spread of Rh–Ge bond distances ranging from 2.49–2.58 Å. There are two inequivalent In sites. In the first In site, In is bonded to eight Tb and four Ge atoms to form a mixture of corner and face-sharing InTb8Ge4 cuboctahedra. There are two shorter (2.88 Å) and two longer (3.13 Å) In–Ge bond lengths. In the second In site, In is bonded to eight Tb and four Ge atoms to form a mixture of corner and face-sharing InTb8Ge4 cuboctahedra. There are two shorter (2.87 Å) and two longer (2.92 Å) In–Ge bond lengths. There are four inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to six Tb, two In, and one Ge atom. The Ge–Ge bond length is 2.61 Å. In the second Ge site, Ge is bonded in a 9-coordinate geometry to six Tb, one Rh, one In, and one Ge atom. The Ge–Ge bond length is 2.66 Å. In the third Ge site, Ge is bonded in a 9-coordinate geometry to seven Tb, one In, and one Ge atom. In the fourth Ge site, Ge is bonded in a 9-coordinate geometry to five Tb, three equivalent Rh, and one Ge atom.