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6 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on TbInCu by Materials Project

TbCuIn crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Tb is bonded in a 11-coordinate geometry to five Cu and six equivalent In atoms. There are four shorter (3.01 Å) and one longer (3.06 Å) Tb–Cu bond lengths. There are two shorter (3.20 Å) and four longer (3.34 Å) Tb–In bond lengths. There are two inequivalent Cu sites. In the first Cu site, Cu is bonded in a 9-coordinate geometry to six equivalent Tb and three equivalent In atoms. All Cu–In bond lengths are 2.83 Å. In the second Cu site, Cu is bonded in a 9-coordinate geometry to three equivalent Tb and six equivalent In atoms. All Cu–In bond lengths are 2.74 Å. In is bonded in a 10-coordinate geometry to six equivalent Tb and four Cu atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TbInCu2 by Materials Project

TbCu2In is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Tb is bonded in a distorted body-centered cubic geometry to eight equivalent Cu and six equivalent In atoms. All Tb–Cu bond lengths are 2.88 Å. All Tb–In bond lengths are 3.33 Å. Cu is bonded in a body-centered cubic geometry to four equivalent Tb and four equivalent In atoms. All Cu–In bond lengths are 2.88 Å. In is bonded in a 8-coordinate geometry to six equivalent Tb and eight equivalent Cu atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Tb2InCu2 by Materials Project

Tb2Cu2In crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Tb is bonded in a 6-coordinate geometry to six equivalent Cu and four equivalent In atoms. There are two shorter (2.89 Å) and four longer (2.92 Å) Tb–Cu bond lengths. All Tb–In bond lengths are 3.36 Å. Cu is bonded in a 9-coordinate geometry to six equivalent Tb, one Cu, and two equivalent In atoms. The Cu–Cu bond length is 2.57 Å. Both Cu–In bond lengths are 3.05 Å. In is bonded to eight equivalent Tb and four equivalent Cu atoms to form a mixture of face and corner-sharing InTb8Cu4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TbIn7Cu5 by Materials Project

TbCu5In7 crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. Tb is bonded in a 4-coordinate geometry to ten Cu and ten In atoms. There are a spread of Tb–Cu bond distances ranging from 3.52–3.67 Å. There are a spread of Tb–In bond distances ranging from 3.15–3.54 Å. There are two inequivalent Cu sites. In the first Cu site, Cu is bonded to two equivalent Tb, three Cu, and seven In atoms to form a mixture of distorted edge, face, and corner-sharing CuTb2In7Cu3 cuboctahedra. There are a spread of Cu–Cu bond distances ranging from 2.73–2.84 Å. There are a spread of Cu–In bond distances ranging from 2.71–3.00 Å. In the second Cu site, Cu is bonded in a 12-coordinate geometry to two equivalent Tb, four equivalent Cu, and six In atoms. There are a spread of Cu–In bond distances ranging from 2.76–3.01 Å. There are five inequivalent In sites. In the first In site, In is bonded in a 5-coordinate geometry to one Tb, four equivalent Cu, and five In atoms. There are a spread of In–In bond distances ranging from 3.03–3.15 Å. In the second In site, In is bonded in a 8-coordinate geometry to one Tb, six Cu, and three In atoms. Both In–In bond lengths are 3.29 Å. In the third In site, In is bonded in a 10-coordinate geometry to one Tb, five Cu, and four In atoms. There are a spread of In–In bond distances ranging from 3.02–3.12 Å. In the fourth In site, In is bonded in a 12-coordinate geometry to two equivalent Tb, four equivalent Cu, and six In atoms. Both In–In bond lengths are 2.94 Å. In the fifth In site, In is bonded in a 12-coordinate geometry to two equivalent Tb, five Cu, and five In atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Tb(InCu)6 by Materials Project

TbCu6In6 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Tb is bonded in a 8-coordinate geometry to twelve Cu and eight In atoms. There are four shorter (3.50 Å) and eight longer (3.53 Å) Tb–Cu bond lengths. There are a spread of Tb–In bond distances ranging from 3.08–3.26 Å. There are two inequivalent Cu sites. In the first Cu site, Cu is bonded to two equivalent Tb, four Cu, and six In atoms to form a mixture of distorted face, edge, and corner-sharing CuTb2In6Cu4 cuboctahedra. There are two shorter (2.69 Å) and two longer (2.78 Å) Cu–Cu bond lengths. There are a spread of Cu–In bond distances ranging from 2.74–2.81 Å. In the second Cu site, Cu is bonded in a 12-coordinate geometry to two equivalent Tb, four equivalent Cu, and six In atoms. There are a spread of Cu–In bond distances ranging from 2.73–2.94 Å. There are three inequivalent In sites. In the first In site, In is bonded in a 8-coordinate geometry to one Tb, six Cu, and one In atom. The In–In bond length is 2.98 Å. In the second In site, In is bonded in a 10-coordinate geometry to one Tb and six Cu atoms. In the third In site, In is bonded in a 12-coordinate geometry to two equivalent Tb and six Cu atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Tb2In3Cu by Materials Project

Tb2CuIn3 is Tungsten boride-derived structured and crystallizes in the trigonal P3m1 space group. The structure is three-dimensional. there are two inequivalent Tb sites. In the first Tb site, Tb is bonded in a 12-coordinate geometry to three equivalent Cu and nine In atoms. All Tb–Cu bond lengths are 3.06 Å. There are a spread of Tb–In bond distances ranging from 3.14–3.67 Å. In the second Tb site, Tb is bonded in a 9-coordinate geometry to three equivalent Cu and nine In atoms. All Tb–Cu bond lengths are 3.43 Å. There are a spread of Tb–In bond distances ranging from 3.15–3.69 Å. Cu is bonded in a 10-coordinate geometry to six Tb and four In atoms. There are three shorter (2.76 Å) and one longer (2.94 Å) Cu–In bond lengths. There are three inequivalent In sites. In the first In site, In is bonded in a 10-coordinate geometry to six Tb, three equivalent Cu, and one In atom. The In–In bond length is 3.24 Å. In the second In site, In is bonded in a 10-coordinate geometry to six Tb and four In atoms. All In–In bond lengths are 2.87 Å. In the third In site, In is bonded in a 10-coordinate geometry to six Tb, one Cu, and three equivalent In atoms.

36 MATERIALS SCIENCE↗