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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on In3Pt by Materials Project

PtIn3 is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Pt is bonded to twelve In atoms to form PtIn12 cuboctahedra that share corners with four equivalent PtIn12 cuboctahedra, corners with eight equivalent InIn8Pt4 cuboctahedra, edges with eight equivalent PtIn12 cuboctahedra, edges with sixteen equivalent InIn8Pt4 cuboctahedra, faces with four equivalent PtIn12 cuboctahedra, and faces with fourteen InIn8Pt4 cuboctahedra. There are four shorter (3.10 Å) and eight longer (3.15 Å) Pt–In bond lengths. There are two inequivalent In sites. In the first In site, In is bonded to four equivalent Pt and eight In atoms to form distorted InIn8Pt4 cuboctahedra that share corners with twelve equivalent InIn8Pt4 cuboctahedra, edges with eight equivalent PtIn12 cuboctahedra, edges with sixteen InIn8Pt4 cuboctahedra, faces with four equivalent PtIn12 cuboctahedra, and faces with fourteen InIn8Pt4 cuboctahedra. There are four shorter (3.10 Å) and four longer (3.15 Å) In–In bond lengths. In the second In site, In is bonded to four equivalent Pt and eight equivalent In atoms to form distorted InIn8Pt4 cuboctahedra that share corners with four equivalent InIn8Pt4 cuboctahedra, corners with eight equivalent PtIn12 cuboctahedra, edges with twenty-four InIn8Pt4 cuboctahedra, faces with six equivalent PtIn12 cuboctahedra, and faces with twelve InIn8Pt4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Tb3(In3Pt)4 by Materials Project

Tb3(PtIn3)4 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. there are three inequivalent Tb sites. In the first Tb site, Tb is bonded in a 3-coordinate geometry to six equivalent Pt and twelve In atoms. There are three shorter (3.19 Å) and three longer (3.56 Å) Tb–Pt bond lengths. There are a spread of Tb–In bond distances ranging from 3.40–3.61 Å. In the second Tb site, Tb is bonded in a 4-coordinate geometry to three Pt and ten In atoms. There are one shorter (3.01 Å) and two longer (3.05 Å) Tb–Pt bond lengths. There are a spread of Tb–In bond distances ranging from 3.26–3.37 Å. In the third Tb site, Tb is bonded in a 12-coordinate geometry to six equivalent Pt and twelve In atoms. All Tb–Pt bond lengths are 3.69 Å. There are six shorter (3.45 Å) and six longer (3.52 Å) Tb–In bond lengths. There are two inequivalent Pt sites. In the first Pt site, Pt is bonded in a 9-coordinate geometry to three Tb and six In atoms. There are a spread of Pt–In bond distances ranging from 2.75–2.79 Å. In the second Pt site, Pt is bonded in a 8-coordinate geometry to three Tb and six In atoms. There are a spread of Pt–In bond distances ranging from 2.73–2.82 Å. There are eight inequivalent In sites. In the first In site, In is bonded in a 2-coordinate geometry to three Tb and two equivalent Pt atoms. In the second In site, In is bonded in a distorted bent 150 degrees geometry to three Tb and two equivalent Pt atoms. In the third In site, In is bonded in a 3-coordinate geometry to three equivalent Tb, three equivalent Pt, and one In atom. The In–In bond length is 3.04 Å. In the fourth In site, In is bonded in a 3-coordinate geometry to three Tb and three Pt atoms. In the fifth In site, In is bonded in a 2-coordinate geometry to three Tb and two equivalent Pt atoms. In the sixth In site, In is bonded in a 4-coordinate geometry to three equivalent Tb and one In atom. In the seventh In site, In is bonded in a 2-coordinate geometry to two equivalent Tb, two equivalent Pt, and two equivalent In atoms. Both In–In bond lengths are 3.49 Å. In the eighth In site, In is bonded in a 6-coordinate geometry to six equivalent In atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on In3Pt by Materials Project

PtIn3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Pt is bonded to twelve equivalent In atoms to form PtIn12 cuboctahedra that share corners with twelve equivalent PtIn12 cuboctahedra, edges with twenty-four equivalent InIn8Pt4 cuboctahedra, faces with six equivalent PtIn12 cuboctahedra, and faces with twelve equivalent InIn8Pt4 cuboctahedra. All Pt–In bond lengths are 3.14 Å. In is bonded to four equivalent Pt and eight equivalent In atoms to form distorted InIn8Pt4 cuboctahedra that share corners with twelve equivalent InIn8Pt4 cuboctahedra, edges with eight equivalent PtIn12 cuboctahedra, edges with sixteen equivalent InIn8Pt4 cuboctahedra, faces with four equivalent PtIn12 cuboctahedra, and faces with fourteen equivalent InIn8Pt4 cuboctahedra. All In–In bond lengths are 3.14 Å.

36 MATERIALS SCIENCE↗