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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on DyInNi by Materials Project

DyNiIn crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Dy is bonded in a 11-coordinate geometry to five Ni and six equivalent In atoms. There are four shorter (2.94 Å) and one longer (3.08 Å) Dy–Ni bond lengths. There are two shorter (3.13 Å) and four longer (3.27 Å) Dy–In bond lengths. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 9-coordinate geometry to three equivalent Dy and six equivalent In atoms. All Ni–In bond lengths are 2.68 Å. In the second Ni site, Ni is bonded in a 9-coordinate geometry to six equivalent Dy and three equivalent In atoms. All Ni–In bond lengths are 2.84 Å. In is bonded in a 10-coordinate geometry to six equivalent Dy and four Ni atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Dy5(In2Ni)2 by Materials Project

Dy5Ni2In4 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. there are three inequivalent Dy sites. In the first Dy site, Dy is bonded in a 8-coordinate geometry to two equivalent Ni and six In atoms. Both Dy–Ni bond lengths are 2.76 Å. There are a spread of Dy–In bond distances ranging from 3.16–3.41 Å. In the second Dy site, Dy is bonded in a 10-coordinate geometry to four equivalent Ni and six In atoms. There are two shorter (2.91 Å) and two longer (2.92 Å) Dy–Ni bond lengths. There are a spread of Dy–In bond distances ranging from 3.24–3.35 Å. In the third Dy site, Dy is bonded in a distorted body-centered cubic geometry to eight In atoms. There are four shorter (3.20 Å) and four longer (3.33 Å) Dy–In bond lengths. Ni is bonded in a 6-coordinate geometry to six Dy and three In atoms. There are a spread of Ni–In bond distances ranging from 2.84–3.28 Å. There are two inequivalent In sites. In the first In site, In is bonded in a 9-coordinate geometry to eight Dy, one Ni, and one In atom. The In–In bond length is 3.27 Å. In the second In site, In is bonded in a 11-coordinate geometry to eight Dy, two equivalent Ni, and one In atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Dy4In20Ni11 by Materials Project

Dy4Ni11In20 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Dy sites. In the first Dy site, Dy is bonded in a 8-coordinate geometry to four Ni and eleven In atoms. There are two shorter (3.14 Å) and two longer (3.30 Å) Dy–Ni bond lengths. There are a spread of Dy–In bond distances ranging from 3.12–3.73 Å. In the second Dy site, Dy is bonded in a 8-coordinate geometry to four Ni and eleven In atoms. There are two shorter (3.08 Å) and two longer (3.24 Å) Dy–Ni bond lengths. There are a spread of Dy–In bond distances ranging from 3.11–3.68 Å. There are six inequivalent Ni sites. In the first Ni site, Ni is bonded to four equivalent Ni and eight In atoms to form distorted face-sharing NiIn8Ni4 cuboctahedra. All Ni–Ni bond lengths are 2.57 Å. There are a spread of Ni–In bond distances ranging from 2.64–3.08 Å. In the second Ni site, Ni is bonded in a 10-coordinate geometry to two equivalent Dy and eight In atoms. There are a spread of Ni–In bond distances ranging from 2.63–3.05 Å. In the third Ni site, Ni is bonded in a 9-coordinate geometry to two equivalent Dy and seven In atoms. There are a spread of Ni–In bond distances ranging from 2.62–2.68 Å. In the fourth Ni site, Ni is bonded in a 9-coordinate geometry to two equivalent Dy and seven In atoms. There are a spread of Ni–In bond distances ranging from 2.62–2.74 Å. In the fifth Ni site, Ni is bonded in a 9-coordinate geometry to two equivalent Dy and seven In atoms. There are a spread of Ni–In bond distances ranging from 2.66–2.72 Å. In the sixth Ni site, Ni is bonded in a 10-coordinate geometry to three Ni and seven In atoms. The Ni–Ni bond length is 2.85 Å. There are a spread of Ni–In bond distances ranging from 2.60–2.72 Å. There are ten inequivalent In sites. In the first In site, In is bonded in a 12-coordinate geometry to two equivalent Dy and four Ni atoms. In the second In site, In is bonded in a 12-coordinate geometry to three equivalent Dy, four Ni, and five In atoms. There are a spread of In–In bond distances ranging from 3.02–3.09 Å. In the third In site, In is bonded in a 5-coordinate geometry to two Dy, five Ni, and two equivalent In atoms. Both In–In bond lengths are 3.28 Å. In the fourth In site, In is bonded in a 12-coordinate geometry to two equivalent Dy, four Ni, and one In atom. The In–In bond length is 2.97 Å. In the fifth In site, In is bonded in a 5-coordinate geometry to two Dy, five Ni, and two In atoms. The In–In bond length is 3.12 Å. In the sixth In site, In is bonded in a 12-coordinate geometry to three equivalent Dy, three equivalent Ni, and six In atoms. There are one shorter (2.92 Å) and two longer (3.03 Å) In–In bond lengths. In the seventh In site, In is bonded in a 12-coordinate geometry to three Dy, four Ni, and five In atoms. There are a spread of In–In bond distances ranging from 3.05–3.07 Å. In the eighth In site, In is bonded in a 3-coordinate geometry to one Dy, four Ni, and six In atoms. There are one shorter (2.88 Å) and two longer (2.97 Å) In–In bond lengths. In the ninth In site, In is bonded in a 4-coordinate geometry to one Dy, four Ni, and five In atoms. In the tenth In site, In is bonded in a 12-coordinate geometry to three Dy, three Ni, and three In atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Dy2InNi2 by Materials Project

Dy2Ni2In crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Dy is bonded in a 10-coordinate geometry to six equivalent Ni and four equivalent In atoms. There are four shorter (2.82 Å) and two longer (2.94 Å) Dy–Ni bond lengths. All Dy–In bond lengths are 3.33 Å. Ni is bonded in a 9-coordinate geometry to six equivalent Dy, two equivalent Ni, and one In atom. Both Ni–Ni bond lengths are 2.45 Å. The Ni–In bond length is 2.84 Å. In is bonded in a distorted q6 geometry to eight equivalent Dy and two equivalent Ni atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Dy2InNi2 by Materials Project

Dy2Ni2In crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Dy is bonded in a 6-coordinate geometry to six equivalent Ni and four equivalent In atoms. There are two shorter (2.82 Å) and four longer (2.85 Å) Dy–Ni bond lengths. All Dy–In bond lengths are 3.28 Å. Ni is bonded in a 9-coordinate geometry to six equivalent Dy, one Ni, and two equivalent In atoms. The Ni–Ni bond length is 2.50 Å. Both Ni–In bond lengths are 2.94 Å. In is bonded to eight equivalent Dy and four equivalent Ni atoms to form a mixture of face and corner-sharing InDy8Ni4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on DyIn2Ni by Materials Project

DyNiIn2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Dy is bonded in a 1-coordinate geometry to three equivalent Ni and ten equivalent In atoms. There are one shorter (2.97 Å) and two longer (3.11 Å) Dy–Ni bond lengths. There are a spread of Dy–In bond distances ranging from 3.22–3.42 Å. Ni is bonded in a 9-coordinate geometry to three equivalent Dy and six equivalent In atoms. There are two shorter (2.67 Å) and four longer (2.73 Å) Ni–In bond lengths. In is bonded in a 12-coordinate geometry to five equivalent Dy, three equivalent Ni, and four equivalent In atoms. There are a spread of In–In bond distances ranging from 3.00–3.17 Å.

36 MATERIALS SCIENCE↗