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DOE OSTI2020

Materials Data on Dy4CdPd by Materials Project

Dy4PdCd crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are three inequivalent Dy sites. In the first Dy site, Dy is bonded in a 3-coordinate geometry to three equivalent Pd and three equivalent Cd atoms. All Dy–Pd bond lengths are 2.88 Å. All Dy–Cd bond lengths are 3.37 Å. In the second Dy site, Dy is bonded in a distorted bent 150 degrees geometry to two equivalent Pd and two equivalent Cd atoms. Both Dy–Pd bond lengths are 2.87 Å. Both Dy–Cd bond lengths are 3.53 Å. In the third Dy site, Dy is bonded in a 4-coordinate geometry to two equivalent Pd and two equivalent Cd atoms. Both Dy–Pd bond lengths are 3.55 Å. Both Dy–Cd bond lengths are 3.26 Å. Pd is bonded in a 6-coordinate geometry to nine Dy atoms. Cd is bonded to nine Dy and three equivalent Cd atoms to form a mixture of distorted corner and face-sharing CdDy9Cd3 cuboctahedra. All Cd–Cd bond lengths are 3.19 Å.

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Materials Data on Dy7Co6Sn23 by Materials Project

Dy7Co6Sn23 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. there are two inequivalent Dy sites. In the first Dy site, Dy is bonded in a 12-coordinate geometry to six equivalent Co and twelve Sn atoms. All Dy–Co bond lengths are 3.44 Å. There are six shorter (3.37 Å) and six longer (3.39 Å) Dy–Sn bond lengths. In the second Dy site, Dy is bonded in a 12-coordinate geometry to two equivalent Co and ten Sn atoms. Both Dy–Co bond lengths are 3.18 Å. There are a spread of Dy–Sn bond distances ranging from 3.09–3.42 Å. Co is bonded in a 9-coordinate geometry to three Dy and six Sn atoms. There are a spread of Co–Sn bond distances ranging from 2.59–2.80 Å. There are six inequivalent Sn sites. In the first Sn site, Sn is bonded in a 2-coordinate geometry to three Dy and two equivalent Co atoms. In the second Sn site, Sn is bonded in a 7-coordinate geometry to three equivalent Dy, three equivalent Co, and one Sn atom. The Sn–Sn bond length is 2.98 Å. In the third Sn site, Sn is bonded in a 6-coordinate geometry to six equivalent Sn atoms. All Sn–Sn bond lengths are 2.99 Å. In the fourth Sn site, Sn is bonded in a 5-coordinate geometry to four equivalent Dy, one Co, and one Sn atom. The Sn–Sn bond length is 3.20 Å. In the fifth Sn site, Sn is bonded in a 4-coordinate geometry to three equivalent Dy and one Sn atom. In the sixth Sn site, Sn is bonded in a 7-coordinate geometry to three Dy, two equivalent Co, and two Sn atoms.

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Materials Data on Dy4CdPt by Materials Project

Dy4PtCd crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are three inequivalent Dy sites. In the first Dy site, Dy is bonded in a 3-coordinate geometry to three equivalent Pt and three equivalent Cd atoms. All Dy–Pt bond lengths are 2.86 Å. All Dy–Cd bond lengths are 3.41 Å. In the second Dy site, Dy is bonded in a distorted bent 150 degrees geometry to two equivalent Pt and two equivalent Cd atoms. Both Dy–Pt bond lengths are 2.85 Å. Both Dy–Cd bond lengths are 3.51 Å. In the third Dy site, Dy is bonded in a 4-coordinate geometry to two equivalent Pt and two equivalent Cd atoms. Both Dy–Pt bond lengths are 3.53 Å. Both Dy–Cd bond lengths are 3.27 Å. Pt is bonded in a 6-coordinate geometry to nine Dy atoms. Cd is bonded to nine Dy and three equivalent Cd atoms to form a mixture of distorted corner and face-sharing CdDy9Cd3 cuboctahedra. All Cd–Cd bond lengths are 3.18 Å.

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Materials Data on Dy4CdIr by Materials Project

Dy4IrCd crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are three inequivalent Dy sites. In the first Dy site, Dy is bonded in a 3-coordinate geometry to three equivalent Ir and three equivalent Cd atoms. All Dy–Ir bond lengths are 2.83 Å. All Dy–Cd bond lengths are 3.44 Å. In the second Dy site, Dy is bonded in a distorted bent 150 degrees geometry to two equivalent Ir and two equivalent Cd atoms. Both Dy–Ir bond lengths are 2.82 Å. Both Dy–Cd bond lengths are 3.50 Å. In the third Dy site, Dy is bonded in a 4-coordinate geometry to two equivalent Ir and two equivalent Cd atoms. Both Dy–Ir bond lengths are 3.49 Å. Both Dy–Cd bond lengths are 3.27 Å. Ir is bonded in a 6-coordinate geometry to nine Dy atoms. Cd is bonded to nine Dy and three equivalent Cd atoms to form a mixture of distorted face and corner-sharing CdDy9Cd3 cuboctahedra. All Cd–Cd bond lengths are 3.14 Å.

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Materials Data on Dy12Al7Si by Materials Project

Dy12Al7Si crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are three inequivalent Dy sites. In the first Dy site, Dy is bonded in a 4-coordinate geometry to six Al atoms. There are a spread of Dy–Al bond distances ranging from 2.98–3.72 Å. In the second Dy site, Dy is bonded in a 6-coordinate geometry to five Al and one Si atom. There are a spread of Dy–Al bond distances ranging from 3.04–3.33 Å. The Dy–Si bond length is 3.00 Å. In the third Dy site, Dy is bonded in a 5-coordinate geometry to five Al atoms. There are a spread of Dy–Al bond distances ranging from 3.11–3.50 Å. There are three inequivalent Al sites. In the first Al site, Al is bonded in a 9-coordinate geometry to nine Dy atoms. In the second Al site, Al is bonded in a body-centered cubic geometry to eight equivalent Dy atoms. In the third Al site, Al is bonded in a 10-coordinate geometry to nine Dy and one Al atom. The Al–Al bond length is 2.75 Å. Si is bonded in a 8-coordinate geometry to eight equivalent Dy atoms.

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Materials Data on Dy2Al5Fe12 by Materials Project

Dy2Fe12Al5 crystallizes in the trigonal R3m space group. The structure is three-dimensional. there are two inequivalent Dy sites. In the first Dy site, Dy is bonded in a 10-coordinate geometry to fifteen Fe and four Al atoms. There are a spread of Dy–Fe bond distances ranging from 3.03–3.37 Å. There are one shorter (2.96 Å) and three longer (3.04 Å) Dy–Al bond lengths. In the second Dy site, Dy is bonded in a 10-coordinate geometry to twelve Fe and seven Al atoms. There are a spread of Dy–Fe bond distances ranging from 3.05–3.37 Å. There are a spread of Dy–Al bond distances ranging from 3.08–3.28 Å. There are three inequivalent Fe sites. In the first Fe site, Fe is bonded in a 12-coordinate geometry to two Dy, six Fe, and four Al atoms. There are a spread of Fe–Fe bond distances ranging from 2.42–2.47 Å. There are a spread of Fe–Al bond distances ranging from 2.50–2.60 Å. In the second Fe site, Fe is bonded in a 12-coordinate geometry to three Dy, six Fe, and three Al atoms. There are two shorter (2.58 Å) and two longer (2.63 Å) Fe–Fe bond lengths. There are two shorter (2.50 Å) and one longer (2.57 Å) Fe–Al bond lengths. In the third Fe site, Fe is bonded to two Dy, six Fe, and four Al atoms to form distorted FeDy2Al4Fe6 cuboctahedra that share corners with four equivalent AlDy3AlFe8 cuboctahedra, corners with twelve equivalent FeDy2Al4Fe6 cuboctahedra, an edgeedge with one FeDy2Al4Fe6 cuboctahedra, an edgeedge with one AlDy3AlFe8 cuboctahedra, faces with five equivalent AlDy3AlFe8 cuboctahedra, and faces with seven equivalent FeDy2Al4Fe6 cuboctahedra. There are one shorter (2.48 Å) and one longer (2.49 Å) Fe–Fe bond lengths. There are a spread of Fe–Al bond distances ranging from 2.61–2.80 Å. There are three inequivalent Al sites. In the first Al site, Al is bonded in a 6-coordinate geometry to one Dy, twelve Fe, and one Al atom. The Al–Al bond length is 2.55 Å. In the second Al site, Al is bonded in a 3-coordinate geometry to one Dy, nine Fe, and four Al atoms. All Al–Al bond lengths are 2.71 Å. In the third Al site, Al is bonded to three Dy, eight Fe, and one Al atom to form distorted AlDy3AlFe8 cuboctahedra that share corners with two equivalent AlDy3AlFe8 cuboctahedra, corners with eight equivalent FeDy2Al4Fe6 cuboctahedra, edges with two equivalent FeDy2Al4Fe6 cuboctahedra, edges with four equivalent AlDy3AlFe8 cuboctahedra, faces with four equivalent AlDy3AlFe8 cuboctahedra, and faces with ten equivalent FeDy2Al4Fe6 cuboctahedra.

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Materials Data on Dy4CdNi by Materials Project

Dy4NiCd crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are three inequivalent Dy sites. In the first Dy site, Dy is bonded in a 3-coordinate geometry to three equivalent Ni and three equivalent Cd atoms. All Dy–Ni bond lengths are 2.78 Å. All Dy–Cd bond lengths are 3.41 Å. In the second Dy site, Dy is bonded in a distorted bent 150 degrees geometry to two equivalent Ni and two equivalent Cd atoms. Both Dy–Ni bond lengths are 2.78 Å. Both Dy–Cd bond lengths are 3.47 Å. In the third Dy site, Dy is bonded in a 4-coordinate geometry to two equivalent Ni and two equivalent Cd atoms. Both Dy–Ni bond lengths are 3.46 Å. Both Dy–Cd bond lengths are 3.22 Å. Ni is bonded in a 6-coordinate geometry to nine Dy atoms. Cd is bonded to nine Dy and three equivalent Cd atoms to form a mixture of distorted corner and face-sharing CdDy9Cd3 cuboctahedra. All Cd–Cd bond lengths are 3.10 Å.

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Materials Data on Dy5Bi3 by Materials Project

Dy5Bi3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are four inequivalent Dy sites. In the first Dy site, Dy is bonded in a 5-coordinate geometry to five Bi atoms. There are a spread of Dy–Bi bond distances ranging from 3.12–3.54 Å. In the second Dy site, Dy is bonded in a 6-coordinate geometry to six Bi atoms. There are a spread of Dy–Bi bond distances ranging from 3.14–3.53 Å. In the third Dy site, Dy is bonded to five Bi atoms to form distorted edge-sharing DyBi5 square pyramids. There are a spread of Dy–Bi bond distances ranging from 3.18–3.27 Å. In the fourth Dy site, Dy is bonded in a 5-coordinate geometry to five Bi atoms. There are a spread of Dy–Bi bond distances ranging from 3.07–3.38 Å. There are two inequivalent Bi sites. In the first Bi site, Bi is bonded in a 8-coordinate geometry to eight Dy atoms. In the second Bi site, Bi is bonded in a 9-coordinate geometry to nine Dy atoms.

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Materials Data on Dy2Fe17H3 by Materials Project

Dy2Fe17H3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are three inequivalent Dy sites. In the first Dy site, Dy is bonded in a distorted trigonal planar geometry to eight Fe and three equivalent H atoms. There are two shorter (2.92 Å) and six longer (3.22 Å) Dy–Fe bond lengths. All Dy–H bond lengths are 2.50 Å. In the second Dy site, Dy is bonded in a distorted trigonal planar geometry to eight Fe and three equivalent H atoms. There are two shorter (2.92 Å) and six longer (3.22 Å) Dy–Fe bond lengths. All Dy–H bond lengths are 2.50 Å. In the third Dy site, Dy is bonded in a trigonal planar geometry to three equivalent H atoms. All Dy–H bond lengths are 2.44 Å. There are four inequivalent Fe sites. In the first Fe site, Fe is bonded to two Dy and ten Fe atoms to form FeDy2Fe10 cuboctahedra that share corners with four equivalent FeDy2Fe10 cuboctahedra, corners with two equivalent HDy2Fe4 octahedra, faces with six equivalent FeDy2Fe10 cuboctahedra, and faces with four equivalent HDy2Fe4 octahedra. The corner-sharing octahedral tilt angles are 40°. There are a spread of Fe–Fe bond distances ranging from 2.44–2.62 Å. In the second Fe site, Fe is bonded in a single-bond geometry to four Fe and one H atom. Both Fe–Fe bond lengths are 2.74 Å. The Fe–H bond length is 1.82 Å. In the third Fe site, Fe is bonded in a 2-coordinate geometry to one Dy and thirteen Fe atoms. There are one shorter (2.38 Å) and three longer (2.66 Å) Fe–Fe bond lengths. In the fourth Fe site, Fe is bonded in a single-bond geometry to three Fe and one H atom. The Fe–H bond length is 1.93 Å. H is bonded to two Dy and four Fe atoms to form HDy2Fe4 octahedra that share corners with two equivalent FeDy2Fe10 cuboctahedra, corners with four equivalent HDy2Fe4 octahedra, and faces with four equivalent FeDy2Fe10 cuboctahedra. The corner-sharing octahedral tilt angles are 60°.

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Materials Data on Dy4Ni3Bi8 by Materials Project

Dy4Ni3Bi8 crystallizes in the tetragonal P-4m2 space group. The structure is three-dimensional. there are two inequivalent Dy sites. In the first Dy site, Dy is bonded to four equivalent Ni and eight Bi atoms to form a mixture of distorted edge, face, and corner-sharing DyNi4Bi8 cuboctahedra. All Dy–Ni bond lengths are 3.12 Å. There are four shorter (3.30 Å) and four longer (3.41 Å) Dy–Bi bond lengths. In the second Dy site, Dy is bonded in a 11-coordinate geometry to two equivalent Ni and nine Bi atoms. Both Dy–Ni bond lengths are 3.11 Å. There are a spread of Dy–Bi bond distances ranging from 3.32–3.42 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a body-centered cubic geometry to four equivalent Dy and four equivalent Bi atoms. All Ni–Bi bond lengths are 2.66 Å. In the second Ni site, Ni is bonded in a body-centered cubic geometry to four equivalent Dy and four equivalent Bi atoms. All Ni–Bi bond lengths are 2.62 Å. There are four inequivalent Bi sites. In the first Bi site, Bi is bonded in a 7-coordinate geometry to five equivalent Dy and two equivalent Ni atoms. In the second Bi site, Bi is bonded in a 9-coordinate geometry to four equivalent Dy and four equivalent Ni atoms. In the third Bi site, Bi is bonded in a 8-coordinate geometry to four Dy and four equivalent Bi atoms. All Bi–Bi bond lengths are 3.22 Å. In the fourth Bi site, Bi is bonded in a 8-coordinate geometry to four Dy and four equivalent Bi atoms.

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Materials Data on Dy4InIr by Materials Project

Dy4IrIn crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are three inequivalent Dy sites. In the first Dy site, Dy is bonded in a 3-coordinate geometry to three equivalent Ir and three equivalent In atoms. All Dy–Ir bond lengths are 2.84 Å. All Dy–In bond lengths are 3.46 Å. In the second Dy site, Dy is bonded in a distorted bent 150 degrees geometry to two equivalent Ir and two equivalent In atoms. Both Dy–Ir bond lengths are 2.81 Å. Both Dy–In bond lengths are 3.50 Å. In the third Dy site, Dy is bonded in a 4-coordinate geometry to two equivalent Ir and two equivalent In atoms. Both Dy–Ir bond lengths are 3.48 Å. Both Dy–In bond lengths are 3.25 Å. Ir is bonded in a 6-coordinate geometry to nine Dy atoms. In is bonded in a 12-coordinate geometry to nine Dy and three equivalent In atoms. All In–In bond lengths are 3.20 Å.

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Materials Data on Dy2Fe17N3 by Materials Project

Dy2Fe17N3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are three inequivalent Dy sites. In the first Dy site, Dy is bonded in a trigonal planar geometry to three equivalent N atoms. All Dy–N bond lengths are 2.46 Å. In the second Dy site, Dy is bonded in a distorted trigonal planar geometry to eight Fe and three equivalent N atoms. There are two shorter (3.00 Å) and six longer (3.26 Å) Dy–Fe bond lengths. All Dy–N bond lengths are 2.53 Å. In the third Dy site, Dy is bonded in a distorted trigonal planar geometry to eight Fe and three equivalent N atoms. There are two shorter (3.00 Å) and six longer (3.26 Å) Dy–Fe bond lengths. All Dy–N bond lengths are 2.53 Å. There are four inequivalent Fe sites. In the first Fe site, Fe is bonded in a 2-coordinate geometry to one Dy and thirteen Fe atoms. There are a spread of Fe–Fe bond distances ranging from 2.38–2.72 Å. In the second Fe site, Fe is bonded to two Dy and ten Fe atoms to form FeDy2Fe10 cuboctahedra that share corners with four equivalent FeDy2Fe10 cuboctahedra, corners with two equivalent NDy2Fe4 octahedra, faces with six equivalent FeDy2Fe10 cuboctahedra, and faces with four equivalent NDy2Fe4 octahedra. The corner-sharing octahedral tilt angles are 40°. There are four shorter (2.47 Å) and four longer (2.48 Å) Fe–Fe bond lengths. In the third Fe site, Fe is bonded in a single-bond geometry to four Fe and one N atom. The Fe–N bond length is 1.87 Å. In the fourth Fe site, Fe is bonded in a single-bond geometry to three Fe and one N atom. The Fe–N bond length is 1.93 Å. N is bonded to two Dy and four Fe atoms to form NDy2Fe4 octahedra that share corners with two equivalent FeDy2Fe10 cuboctahedra, corners with four equivalent NDy2Fe4 octahedra, and faces with four equivalent FeDy2Fe10 cuboctahedra. The corner-sharing octahedral tilt angles are 60°.

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Materials Data on Dy3In by Materials Project

Dy3In is Uranium Silicide structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are two inequivalent Dy sites. In the first Dy site, Dy is bonded to eight equivalent Dy and four equivalent In atoms to form distorted DyDy8In4 cuboctahedra that share corners with twelve equivalent DyDy8In4 cuboctahedra, edges with eight equivalent InDy12 cuboctahedra, edges with sixteen equivalent DyDy8In4 cuboctahedra, faces with four equivalent InDy12 cuboctahedra, and faces with fourteen DyDy8In4 cuboctahedra. All Dy–Dy bond lengths are 3.43 Å. All Dy–In bond lengths are 3.42 Å. In the second Dy site, Dy is bonded to eight Dy and four equivalent In atoms to form distorted DyDy8In4 cuboctahedra that share corners with twelve equivalent DyDy8In4 cuboctahedra, edges with eight equivalent InDy12 cuboctahedra, edges with sixteen DyDy8In4 cuboctahedra, faces with four equivalent InDy12 cuboctahedra, and faces with fourteen DyDy8In4 cuboctahedra. All Dy–Dy bond lengths are 3.42 Å. All Dy–In bond lengths are 3.43 Å. In is bonded to twelve Dy atoms to form InDy12 cuboctahedra that share corners with twelve equivalent InDy12 cuboctahedra, edges with twenty-four DyDy8In4 cuboctahedra, faces with six equivalent InDy12 cuboctahedra, and faces with twelve DyDy8In4 cuboctahedra.

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Materials Data on Dy2In by Materials Project

Dy2In crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Dy sites. In the first Dy site, Dy is bonded to six equivalent Dy and five equivalent In atoms to form a mixture of distorted corner and face-sharing DyDy6In5 trigonal bipyramids. All Dy–Dy bond lengths are 3.54 Å. There are three shorter (3.12 Å) and two longer (3.36 Å) Dy–In bond lengths. In the second Dy site, Dy is bonded in a 6-coordinate geometry to eight Dy and six equivalent In atoms. Both Dy–Dy bond lengths are 3.36 Å. All Dy–In bond lengths are 3.54 Å. In is bonded in a 11-coordinate geometry to eleven Dy atoms.

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Materials Data on Dy5S7 by Materials Project

Dy5S7 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are three inequivalent Dy sites. In the first Dy site, Dy is bonded to six S atoms to form DyS6 octahedra that share corners with two equivalent DyS6 octahedra, corners with four equivalent DyS7 pentagonal bipyramids, edges with two equivalent DyS6 octahedra, and edges with six equivalent DyS7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 56°. There are two shorter (2.68 Å) and four longer (2.75 Å) Dy–S bond lengths. In the second Dy site, Dy is bonded to six S atoms to form DyS6 octahedra that share corners with three DyS6 octahedra, corners with six equivalent DyS7 pentagonal bipyramids, edges with five equivalent DyS6 octahedra, and an edgeedge with one DyS7 pentagonal bipyramid. The corner-sharing octahedra tilt angles range from 0–56°. There are a spread of Dy–S bond distances ranging from 2.69–2.83 Å. In the third Dy site, Dy is bonded to seven S atoms to form distorted DyS7 pentagonal bipyramids that share corners with eight DyS6 octahedra, edges with four DyS6 octahedra, edges with two equivalent DyS7 pentagonal bipyramids, and faces with two equivalent DyS7 pentagonal bipyramids. The corner-sharing octahedra tilt angles range from 22–68°. There are a spread of Dy–S bond distances ranging from 2.75–2.94 Å. There are four inequivalent S sites. In the first S site, S is bonded in a square co-planar geometry to four equivalent Dy atoms. In the second S site, S is bonded to five Dy atoms to form distorted SDy5 trigonal bipyramids that share corners with four equivalent SDy4 tetrahedra, corners with six SDy5 trigonal bipyramids, edges with three equivalent SDy4 tetrahedra, and edges with six SDy5 trigonal bipyramids. In the third S site, S is bonded to four Dy atoms to form distorted SDy4 tetrahedra that share corners with three equivalent SDy4 tetrahedra, corners with nine SDy5 trigonal bipyramids, and edges with four SDy5 trigonal bipyramids. In the fourth S site, S is bonded to five Dy atoms to form SDy5 trigonal bipyramids that share corners with five equivalent SDy4 tetrahedra, corners with four equivalent SDy5 trigonal bipyramids, an edgeedge with one SDy4 tetrahedra, and edges with five SDy5 trigonal bipyramids.

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Materials Data on Dy4Ni13C4 by Materials Project

Dy4Ni13C4 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. there are two inequivalent Dy sites. In the first Dy site, Dy is bonded in a 6-coordinate geometry to fourteen Ni atoms. There are a spread of Dy–Ni bond distances ranging from 2.68–3.04 Å. In the second Dy site, Dy is bonded in a 5-coordinate geometry to eleven Ni and four equivalent C atoms. There are a spread of Dy–Ni bond distances ranging from 2.63–3.21 Å. All Dy–C bond lengths are 2.71 Å. There are five inequivalent Ni sites. In the first Ni site, Ni is bonded in a linear geometry to four Dy and two equivalent C atoms. Both Ni–C bond lengths are 1.93 Å. In the second Ni site, Ni is bonded to four equivalent Dy and eight Ni atoms to form NiDy4Ni8 cuboctahedra that share corners with four equivalent CNi6 octahedra and faces with two equivalent NiDy4Ni8 cuboctahedra. The corner-sharing octahedral tilt angles are 34°. There are four shorter (2.41 Å) and four longer (2.51 Å) Ni–Ni bond lengths. In the third Ni site, Ni is bonded in a distorted bent 150 degrees geometry to four Dy and two C atoms. There is one shorter (1.89 Å) and one longer (1.91 Å) Ni–C bond length. In the fourth Ni site, Ni is bonded in a single-bond geometry to four Dy, three Ni, and one C atom. Both Ni–Ni bond lengths are 2.43 Å. The Ni–C bond length is 1.87 Å. In the fifth Ni site, Ni is bonded in a 3-coordinate geometry to three Dy and six Ni atoms. There are two inequivalent C sites. In the first C site, C is bonded in a 7-coordinate geometry to four equivalent Dy, two equivalent Ni, and one C atom. The C–C bond length is 1.36 Å. In the second C site, C is bonded to six Ni atoms to form CNi6 octahedra that share corners with two equivalent NiDy4Ni8 cuboctahedra and corners with two equivalent CNi6 octahedra. The corner-sharing octahedral tilt angles are 0°.

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Materials Data on Dy3Ga2 by Materials Project

Dy3Ga2 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are three inequivalent Dy sites. In the first Dy site, Dy is bonded in a 4-coordinate geometry to six Ga atoms. There are a spread of Dy–Ga bond distances ranging from 2.92–3.71 Å. In the second Dy site, Dy is bonded in a 5-coordinate geometry to five Ga atoms. There are a spread of Dy–Ga bond distances ranging from 3.01–3.53 Å. In the third Dy site, Dy is bonded in a 6-coordinate geometry to six Ga atoms. There are a spread of Dy–Ga bond distances ranging from 2.97–3.32 Å. There are four inequivalent Ga sites. In the first Ga site, Ga is bonded in a 8-coordinate geometry to eight equivalent Dy atoms. In the second Ga site, Ga is bonded in a body-centered cubic geometry to eight equivalent Dy atoms. In the third Ga site, Ga is bonded in a 9-coordinate geometry to nine Dy atoms. In the fourth Ga site, Ga is bonded in a 10-coordinate geometry to nine Dy and one Ga atom. The Ga–Ga bond length is 2.80 Å.

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Materials Data on NdDyFe14C by Materials Project

DyNdFe14C crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. Dy is bonded in a 1-coordinate geometry to one Dy, two equivalent Nd, sixteen Fe, and one C atom. The Dy–Dy bond length is 3.64 Å. Both Dy–Nd bond lengths are 3.66 Å. There are a spread of Dy–Fe bond distances ranging from 2.98–3.34 Å. The Dy–C bond length is 2.81 Å. Nd is bonded in a 6-coordinate geometry to two equivalent Dy and sixteen Fe atoms. There are a spread of Nd–Fe bond distances ranging from 2.99–3.27 Å. There are six inequivalent Fe sites. In the first Fe site, Fe is bonded in a water-like geometry to two equivalent Nd, four Fe, and two equivalent C atoms. There are two shorter (2.52 Å) and two longer (2.82 Å) Fe–Fe bond lengths. Both Fe–C bond lengths are 2.02 Å. In the second Fe site, Fe is bonded to one Dy, one Nd, and ten Fe atoms to form a mixture of distorted corner, edge, and face-sharing FeNdDyFe10 cuboctahedra. There are a spread of Fe–Fe bond distances ranging from 2.38–2.63 Å. In the third Fe site, Fe is bonded in a 2-coordinate geometry to one Dy, one Nd, and twelve Fe atoms. There are a spread of Fe–Fe bond distances ranging from 2.65–2.76 Å. In the fourth Fe site, Fe is bonded to two equivalent Dy, two equivalent Nd, and eight Fe atoms to form a mixture of corner and face-sharing FeNd2Dy2Fe8 cuboctahedra. All Fe–Fe bond lengths are 2.51 Å. In the fifth Fe site, Fe is bonded to two equivalent Dy, one Nd, and nine Fe atoms to form a mixture of distorted corner, edge, and face-sharing FeNdDy2Fe9 cuboctahedra. There are one shorter (2.39 Å) and two longer (2.60 Å) Fe–Fe bond lengths. In the sixth Fe site, Fe is bonded in a single-bond geometry to one Dy, one Nd, seven Fe, and one C atom. The Fe–C bond length is 2.00 Å. C is bonded in a 6-coordinate geometry to one Dy and six Fe atoms.

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