DOE OSTI2020
Tm3Pt4Ge13 crystallizes in the monoclinic Cc space group. The structure is three-dimensional. there are three inequivalent Tm sites. In the first Tm site, Tm is bonded in a 12-coordinate geometry to four Pt and twelve Ge atoms. There are a spread of Tm–Pt bond distances ranging from 3.13–3.21 Å. There are a spread of Tm–Ge bond distances ranging from 3.02–3.54 Å. In the second Tm site, Tm is bonded in a 1-coordinate geometry to four Pt and twelve Ge atoms. There are a spread of Tm–Pt bond distances ranging from 3.19–3.28 Å. There are a spread of Tm–Ge bond distances ranging from 2.96–3.53 Å. In the third Tm site, Tm is bonded in a 6-coordinate geometry to four Pt and twelve Ge atoms. There are a spread of Tm–Pt bond distances ranging from 3.20–3.26 Å. There are a spread of Tm–Ge bond distances ranging from 2.97–3.54 Å. There are four inequivalent Pt sites. In the first Pt site, Pt is bonded in a 9-coordinate geometry to three Tm and six Ge atoms. There are a spread of Pt–Ge bond distances ranging from 2.56–2.59 Å. In the second Pt site, Pt is bonded in a 9-coordinate geometry to three Tm and six Ge atoms. There are a spread of Pt–Ge bond distances ranging from 2.53–2.61 Å. In the third Pt site, Pt is bonded in a 9-coordinate geometry to three Tm and six Ge atoms. There are a spread of Pt–Ge bond distances ranging from 2.53–2.60 Å. In the fourth Pt site, Pt is bonded in a 9-coordinate geometry to three Tm and six Ge atoms. There are a spread of Pt–Ge bond distances ranging from 2.55–2.60 Å. There are thirteen inequivalent Ge sites. In the first Ge site, Ge is bonded in a 2-coordinate geometry to three Tm, two Pt, and three Ge atoms. There are a spread of Ge–Ge bond distances ranging from 2.77–2.94 Å. In the second Ge site, Ge is bonded in a 2-coordinate geometry to three Tm, two equivalent Pt, and two Ge atoms. There are one shorter (2.53 Å) and one longer (2.66 Å) Ge–Ge bond lengths. In the third Ge site, Ge is bonded in a 4-coordinate geometry to three Tm, two Pt, and three Ge atoms. There are one shorter (2.64 Å) and one longer (2.75 Å) Ge–Ge bond lengths. In the fourth Ge site, Ge is bonded in a distorted pentagonal planar geometry to five Ge atoms. There are a spread of Ge–Ge bond distances ranging from 2.56–2.72 Å. In the fifth Ge site, Ge is bonded in a 2-coordinate geometry to three Tm, two equivalent Pt, and two Ge atoms. There are one shorter (2.70 Å) and one longer (2.72 Å) Ge–Ge bond lengths. In the sixth Ge site, Ge is bonded in a 7-coordinate geometry to three Tm, two Pt, and two Ge atoms. In the seventh Ge site, Ge is bonded in a 4-coordinate geometry to three Tm, two Pt, and three Ge atoms. In the eighth Ge site, Ge is bonded in a 2-coordinate geometry to three Tm, two Pt, and two Ge atoms. The Ge–Ge bond length is 2.65 Å. In the ninth Ge site, Ge is bonded in a 2-coordinate geometry to three Tm, two Pt, and two Ge atoms. The Ge–Ge bond length is 2.68 Å. In the tenth Ge site, Ge is bonded in a 2-coordinate geometry to three Tm, two Pt, and two Ge atoms. In the eleventh Ge site, Ge is bonded in a 2-coordinate geometry to three Tm, two Pt, and two Ge atoms. The Ge–Ge bond length is 2.67 Å. In the twelfth Ge site, Ge is bonded in a 2-coordinate geometry to three Tm, two Pt, and two Ge atoms. In the thirteenth Ge site, Ge is bonded in a 2-coordinate geometry to three Tm, two Pt, and two Ge atoms.