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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Sc36In5Co13 by Materials Project

Sc36Co13In5 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are twelve inequivalent Sc sites. In the first Sc site, Sc is bonded in a 4-coordinate geometry to two Co and two In atoms. There are one shorter (2.58 Å) and one longer (2.81 Å) Sc–Co bond lengths. There are one shorter (2.92 Å) and one longer (3.11 Å) Sc–In bond lengths. In the second Sc site, Sc is bonded in a 4-coordinate geometry to two Co and two In atoms. There are one shorter (2.58 Å) and one longer (2.83 Å) Sc–Co bond lengths. There are one shorter (2.93 Å) and one longer (3.11 Å) Sc–In bond lengths. In the third Sc site, Sc is bonded in a 4-coordinate geometry to three Co and one In atom. There are a spread of Sc–Co bond distances ranging from 2.55–3.12 Å. The Sc–In bond length is 3.13 Å. In the fourth Sc site, Sc is bonded in a 4-coordinate geometry to two Co and two In atoms. There are one shorter (2.59 Å) and one longer (2.87 Å) Sc–Co bond lengths. There are one shorter (2.93 Å) and one longer (3.11 Å) Sc–In bond lengths. In the fifth Sc site, Sc is bonded in a 4-coordinate geometry to three Co and one In atom. There are a spread of Sc–Co bond distances ranging from 2.55–3.15 Å. The Sc–In bond length is 3.16 Å. In the sixth Sc site, Sc is bonded in a 4-coordinate geometry to two Co and two In atoms. There are one shorter (2.62 Å) and one longer (2.79 Å) Sc–Co bond lengths. There are one shorter (2.95 Å) and one longer (3.10 Å) Sc–In bond lengths. In the seventh Sc site, Sc is bonded in a 4-coordinate geometry to three Co and one In atom. There are a spread of Sc–Co bond distances ranging from 2.54–2.76 Å. The Sc–In bond length is 3.15 Å. In the eighth Sc site, Sc is bonded in a 4-coordinate geometry to three Co and one In atom. There are a spread of Sc–Co bond distances ranging from 2.53–2.76 Å. The Sc–In bond length is 3.16 Å. In the ninth Sc site, Sc is bonded in a 4-coordinate geometry to three Co and one In atom. There are a spread of Sc–Co bond distances ranging from 2.54–2.73 Å. The Sc–In bond length is 3.16 Å. In the tenth Sc site, Sc is bonded in a 5-coordinate geometry to three Co and two In atoms. There are a spread of Sc–Co bond distances ranging from 2.73–2.96 Å. There are one shorter (3.02 Å) and one longer (3.33 Å) Sc–In bond lengths. In the eleventh Sc site, Sc is bonded in a 4-coordinate geometry to four Co and one In atom. There are a spread of Sc–Co bond distances ranging from 2.77–2.91 Å. The Sc–In bond length is 3.47 Å. In the twelfth Sc site, Sc is bonded in a 5-coordinate geometry to three Co and two In atoms. There are a spread of Sc–Co bond distances ranging from 2.76–2.96 Å. There are one shorter (3.03 Å) and one longer (3.30 Å) Sc–In bond lengths. There are seven inequivalent Co sites. In the first Co site, Co is bonded in a 9-coordinate geometry to eight Sc and one Co atom. The Co–Co bond length is 2.34 Å. In the second Co site, Co is bonded in a 9-coordinate geometry to eight Sc and one Co atom. The Co–Co bond length is 2.34 Å. In the third Co site, Co is bonded in a 9-coordinate geometry to eight Sc and one Co atom. In the fourth Co site, Co is bonded in a body-centered cubic geometry to eight Sc atoms. In the fifth Co site, Co is bonded in a 9-coordinate geometry to eight Sc and one Co atom. The Co–Co bond length is 2.23 Å. In the sixth Co site, Co is bonded in a 2-coordinate geometry to eight Sc and one Co atom. In the seventh Co site, Co is bonded in a 9-coordinate geometry to eight Sc and one Co atom. The Co–Co bond length is 2.19 Å. There are three inequivalent In sites. In the first In site, In is bonded in a cuboctahedral geometry to twelve Sc atoms. In the second In site, In is bonded in a cuboctahedral geometry to twelve Sc atoms. In the third In site, In is bonded in a distorted body-centered cubic geometry to eight Sc atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sc5(In2Co)2 by Materials Project

Sc5(CoIn2)2 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. there are three inequivalent Sc sites. In the first Sc site, Sc is bonded in a 8-coordinate geometry to eight In atoms. There are four shorter (3.06 Å) and four longer (3.17 Å) Sc–In bond lengths. In the second Sc site, Sc is bonded in a 2-coordinate geometry to two equivalent Co and six In atoms. Both Sc–Co bond lengths are 2.56 Å. There are a spread of Sc–In bond distances ranging from 3.00–3.25 Å. In the third Sc site, Sc is bonded in a 10-coordinate geometry to four Co and six In atoms. There are two shorter (2.76 Å) and two longer (2.77 Å) Sc–Co bond lengths. There are a spread of Sc–In bond distances ranging from 3.07–3.21 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded in a 6-coordinate geometry to six Sc and three In atoms. There are a spread of Co–In bond distances ranging from 2.79–3.08 Å. In the second Co site, Co is bonded in a 6-coordinate geometry to six Sc and three In atoms. Both Co–Sc bond lengths are 2.56 Å. There are a spread of Co–In bond distances ranging from 2.79–3.08 Å. There are five inequivalent In sites. In the first In site, In is bonded in a 12-coordinate geometry to eight Sc, one Co, and one In atom. The In–In bond length is 3.17 Å. In the second In site, In is bonded in a 9-coordinate geometry to eight Sc, two Co, and three In atoms. The In–Co bond length is 2.79 Å. Both In–In bond lengths are 3.34 Å. In the third In site, In is bonded in a 9-coordinate geometry to eight Sc, two equivalent Co, and three In atoms. There are four shorter (3.07 Å) and two longer (3.21 Å) In–Sc bond lengths. There are one shorter (3.17 Å) and two longer (3.34 Å) In–In bond lengths. In the fourth In site, In is bonded in a 9-coordinate geometry to eight Sc, two equivalent Co, and three In atoms. There are a spread of In–Sc bond distances ranging from 3.07–3.21 Å. There are one shorter (3.17 Å) and two longer (3.34 Å) In–In bond lengths. In the fifth In site, In is bonded in a 9-coordinate geometry to eight Sc, two Co, and three In atoms. There are two shorter (3.07 Å) and two longer (3.17 Å) In–Sc bond lengths. The In–Co bond length is 3.08 Å. There are one shorter (3.17 Å) and two longer (3.34 Å) In–In bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sc6InCo2 by Materials Project

Sc6Co2In crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are three inequivalent Sc sites. In the first Sc site, Sc is bonded in a 4-coordinate geometry to two Co and two In atoms. There are one shorter (2.59 Å) and one longer (2.87 Å) Sc–Co bond lengths. There are one shorter (2.92 Å) and one longer (3.13 Å) Sc–In bond lengths. In the second Sc site, Sc is bonded in a 4-coordinate geometry to three Co and one In atom. There are one shorter (2.54 Å) and two longer (2.75 Å) Sc–Co bond lengths. The Sc–In bond length is 3.16 Å. In the third Sc site, Sc is bonded in a 5-coordinate geometry to three Co and two In atoms. There are two shorter (2.78 Å) and one longer (2.98 Å) Sc–Co bond lengths. There are one shorter (3.03 Å) and one longer (3.35 Å) Sc–In bond lengths. There are two inequivalent Co sites. In the first Co site, Co is bonded in a 9-coordinate geometry to eight Sc and one Co atom. The Co–Co bond length is 2.31 Å. In the second Co site, Co is bonded in a 9-coordinate geometry to eight Sc and one Co atom. The Co–Co bond length is 2.21 Å. There are two inequivalent In sites. In the first In site, In is bonded in a cuboctahedral geometry to twelve Sc atoms. In the second In site, In is bonded in a distorted body-centered cubic geometry to eight Sc atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ScInCo2 by Materials Project

ScCo2In crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two ScCo2In ribbons oriented in the (1, 0, 0) direction. Sc is bonded in a linear geometry to two equivalent Co atoms. Both Sc–Co bond lengths are 2.06 Å. Co is bonded in a linear geometry to one Sc and one In atom. The Co–In bond length is 2.54 Å. In is bonded in a linear geometry to two equivalent Co atoms.

36 MATERIALS SCIENCE↗