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6 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on TmIn5Co by Materials Project

TmCoIn5 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Tm is bonded to twelve In atoms to form TmIn12 cuboctahedra that share corners with four equivalent TmIn12 cuboctahedra, faces with four equivalent TmIn12 cuboctahedra, and faces with four equivalent InTm4In8 cuboctahedra. There are four shorter (3.22 Å) and eight longer (3.24 Å) Tm–In bond lengths. Co is bonded in a body-centered cubic geometry to eight equivalent In atoms. All Co–In bond lengths are 2.71 Å. There are two inequivalent In sites. In the first In site, In is bonded to four equivalent Tm and eight equivalent In atoms to form distorted InTm4In8 cuboctahedra that share corners with four equivalent InTm4In8 cuboctahedra, faces with four equivalent TmIn12 cuboctahedra, and faces with four equivalent InTm4In8 cuboctahedra. All In–In bond lengths are 3.24 Å. In the second In site, In is bonded in a 4-coordinate geometry to two equivalent Tm, two equivalent Co, and seven In atoms. There are one shorter (2.92 Å) and four longer (3.22 Å) In–In bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Tm10In20Co9 by Materials Project

Tm10Co9In20 is beta Plutonium-derived structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. there are four inequivalent Tm sites. In the first Tm site, Tm is bonded in a 11-coordinate geometry to three Co and ten In atoms. There are two shorter (2.95 Å) and one longer (2.97 Å) Tm–Co bond lengths. There are a spread of Tm–In bond distances ranging from 3.14–3.59 Å. In the second Tm site, Tm is bonded in a 2-coordinate geometry to three Co and nine In atoms. There are two shorter (2.82 Å) and one longer (3.36 Å) Tm–Co bond lengths. There are a spread of Tm–In bond distances ranging from 3.02–3.30 Å. In the third Tm site, Tm is bonded in a 12-coordinate geometry to four equivalent Co and eight In atoms. All Tm–Co bond lengths are 2.97 Å. There are four shorter (3.18 Å) and four longer (3.28 Å) Tm–In bond lengths. In the fourth Tm site, Tm is bonded in a 12-coordinate geometry to four equivalent Co and eight In atoms. All Tm–Co bond lengths are 2.97 Å. There are four shorter (3.21 Å) and four longer (3.32 Å) Tm–In bond lengths. There are three inequivalent Co sites. In the first Co site, Co is bonded in a 8-coordinate geometry to eight In atoms. There are four shorter (2.62 Å) and four longer (2.82 Å) Co–In bond lengths. In the second Co site, Co is bonded in a 10-coordinate geometry to four Tm and six In atoms. There are a spread of Co–In bond distances ranging from 2.62–2.92 Å. In the third Co site, Co is bonded in a 9-coordinate geometry to four Tm and five In atoms. There are a spread of Co–In bond distances ranging from 2.66–2.84 Å. There are five inequivalent In sites. In the first In site, In is bonded in a 12-coordinate geometry to four Tm, two equivalent Co, and six In atoms. There are a spread of In–In bond distances ranging from 2.94–3.37 Å. In the second In site, In is bonded in a 9-coordinate geometry to six Tm, three Co, and two equivalent In atoms. In the third In site, In is bonded in a 2-coordinate geometry to four Tm, two Co, and six In atoms. There are a spread of In–In bond distances ranging from 2.97–3.12 Å. In the fourth In site, In is bonded in a 11-coordinate geometry to four Tm, three Co, and four In atoms. Both In–In bond lengths are 3.20 Å. In the fifth In site, In is bonded in a 7-coordinate geometry to five Tm, three Co, and five In atoms. Both In–In bond lengths are 3.12 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Tm2In8Co by Materials Project

Tm2CoIn8 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Tm is bonded to twelve In atoms to form TmIn12 cuboctahedra that share corners with eight equivalent TmIn12 cuboctahedra, edges with twelve InTm4In8 cuboctahedra, faces with five equivalent TmIn12 cuboctahedra, and faces with eight InTm4In8 cuboctahedra. There are eight shorter (3.24 Å) and four longer (3.28 Å) Tm–In bond lengths. Co is bonded in a body-centered cubic geometry to eight In atoms. All Co–In bond lengths are 2.72 Å. There are six inequivalent In sites. In the first In site, In is bonded in a 4-coordinate geometry to two equivalent Tm, two equivalent Co, and seven In atoms. There are a spread of In–In bond distances ranging from 2.92–3.24 Å. In the second In site, In is bonded in a 4-coordinate geometry to two equivalent Tm, two equivalent Co, and seven In atoms. There are one shorter (2.92 Å) and two longer (3.21 Å) In–In bond lengths. In the third In site, In is bonded to four equivalent Tm and eight In atoms to form distorted InTm4In8 cuboctahedra that share corners with eight equivalent InTm4In8 cuboctahedra, edges with four equivalent TmIn12 cuboctahedra, edges with eight equivalent InTm4In8 cuboctahedra, faces with four equivalent TmIn12 cuboctahedra, and faces with nine InTm4In8 cuboctahedra. There are four shorter (3.21 Å) and four longer (3.31 Å) In–In bond lengths. In the fourth In site, In is bonded in a 4-coordinate geometry to two equivalent Tm, two equivalent Co, and seven In atoms. Both In–Tm bond lengths are 3.24 Å. All In–In bond lengths are 3.24 Å. In the fifth In site, In is bonded to four equivalent Tm and eight In atoms to form distorted InTm4In8 cuboctahedra that share corners with four equivalent InTm4In8 cuboctahedra, edges with eight equivalent TmIn12 cuboctahedra, edges with eight equivalent InTm4In8 cuboctahedra, faces with four equivalent TmIn12 cuboctahedra, and faces with twelve InTm4In8 cuboctahedra. All In–In bond lengths are 3.24 Å. In the sixth In site, In is bonded in a 4-coordinate geometry to two equivalent Tm, two equivalent Co, and seven In atoms. Both In–Tm bond lengths are 3.24 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Tm8In3Co by Materials Project

Tm8CoIn3 crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. there are four inequivalent Tm sites. In the first Tm site, Tm is bonded in a 3-coordinate geometry to one Co and four equivalent In atoms. The Tm–Co bond length is 2.82 Å. There are two shorter (3.24 Å) and two longer (3.75 Å) Tm–In bond lengths. In the second Tm site, Tm is bonded in a 4-coordinate geometry to one Co and four equivalent In atoms. The Tm–Co bond length is 2.79 Å. There are a spread of Tm–In bond distances ranging from 3.05–3.73 Å. In the third Tm site, Tm is bonded to one Co and three equivalent In atoms to form distorted corner-sharing TmIn3Co tetrahedra. The corner-sharing octahedra tilt angles range from 14–48°. The Tm–Co bond length is 2.67 Å. All Tm–In bond lengths are 3.18 Å. In the fourth Tm site, Tm is bonded to six equivalent In atoms to form distorted TmIn6 octahedra that share corners with six equivalent TmIn3Co tetrahedra and faces with two equivalent TmIn6 octahedra. There are three shorter (3.34 Å) and three longer (3.40 Å) Tm–In bond lengths. Co is bonded in a 7-coordinate geometry to seven Tm atoms. In is bonded in a 11-coordinate geometry to eleven Tm atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Tm3(In2Co)2 by Materials Project

Tm3(CoIn2)2 crystallizes in the hexagonal P-6 space group. The structure is three-dimensional. Tm is bonded in a 2-coordinate geometry to three Co and eight In atoms. There are two shorter (2.79 Å) and one longer (3.16 Å) Tm–Co bond lengths. There are a spread of Tm–In bond distances ranging from 3.15–3.43 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded in a 9-coordinate geometry to three equivalent Tm and six equivalent In atoms. All Co–In bond lengths are 2.70 Å. In the second Co site, Co is bonded in a 6-coordinate geometry to six equivalent Tm and three equivalent In atoms. All Co–In bond lengths are 3.01 Å. There are two inequivalent In sites. In the first In site, In is bonded in a 10-coordinate geometry to six equivalent Tm, three Co, and one In atom. The In–In bond length is 2.97 Å. In the second In site, In is bonded in a 9-coordinate geometry to six equivalent Tm and three equivalent In atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TmInCo4 by Materials Project

TmCo4In crystallizes in the cubic F-43m space group. The structure is three-dimensional. Tm is bonded in a 12-coordinate geometry to twelve equivalent Co and four equivalent In atoms. All Tm–Co bond lengths are 2.91 Å. All Tm–In bond lengths are 3.04 Å. Co is bonded to three equivalent Tm, six equivalent Co, and three equivalent In atoms to form a mixture of edge, face, and corner-sharing CoTm3In3Co6 cuboctahedra. There are three shorter (2.47 Å) and three longer (2.49 Å) Co–Co bond lengths. All Co–In bond lengths are 2.91 Å. In is bonded in a 4-coordinate geometry to four equivalent Tm and twelve equivalent Co atoms.

36 MATERIALS SCIENCE↗