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DOE OSTI2020

Materials Data on DyZnSn by Materials Project

DyZnSn 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 in a 12-coordinate geometry to six equivalent Zn and six equivalent Sn atoms. All Dy–Zn bond lengths are 2.97 Å. All Dy–Sn bond lengths are 3.38 Å. In the second Dy site, Dy is bonded to six equivalent Sn atoms to form edge-sharing DySn6 octahedra. All Dy–Sn bond lengths are 3.16 Å. Zn is bonded in a 10-coordinate geometry to three equivalent Dy and three equivalent Sn atoms. All Zn–Sn bond lengths are 2.72 Å. Sn is bonded in a 6-coordinate geometry to six Dy and three equivalent Zn atoms.

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Materials Data on Dy5Ge3B by Materials Project

Dy5BGe3 crystallizes in the hexagonal P6_3/mcm 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 six equivalent Ge atoms. All Dy–Ge bond lengths are 3.09 Å. In the second Dy site, Dy is bonded in a 7-coordinate geometry to two equivalent B and five equivalent Ge atoms. Both Dy–B bond lengths are 2.60 Å. There are a spread of Dy–Ge bond distances ranging from 3.01–3.52 Å. B is bonded to six equivalent Dy atoms to form face-sharing BDy6 octahedra. Ge is bonded in a 9-coordinate geometry to nine Dy atoms.

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Materials Data on DyFe5P3 by Materials Project

DyFe5P3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Dy is bonded in a 6-coordinate geometry to ten Fe and six P atoms. There are a spread of Dy–Fe bond distances ranging from 2.95–3.11 Å. There are a spread of Dy–P bond distances ranging from 2.79–2.88 Å. There are five inequivalent Fe sites. In the first Fe site, Fe is bonded in a 5-coordinate geometry to five P atoms. There are a spread of Fe–P bond distances ranging from 2.25–2.55 Å. In the second Fe site, Fe is bonded to three equivalent Dy and four P atoms to form a mixture of distorted edge, face, and corner-sharing FeDy3P4 tetrahedra. There are three shorter (2.27 Å) and one longer (2.31 Å) Fe–P bond lengths. In the third Fe site, Fe is bonded to three equivalent Dy and four P atoms to form a mixture of distorted edge, face, and corner-sharing FeDy3P4 tetrahedra. There are a spread of Fe–P bond distances ranging from 2.22–2.35 Å. In the fourth Fe site, Fe is bonded to three equivalent Dy and four P atoms to form a mixture of distorted edge, face, and corner-sharing FeDy3P4 tetrahedra. There are a spread of Fe–P bond distances ranging from 2.30–2.32 Å. In the fifth Fe site, Fe is bonded to one Dy and four P atoms to form distorted FeDyP4 tetrahedra that share corners with nine FeDy3P4 tetrahedra, edges with five FeDyP4 tetrahedra, and faces with two equivalent FeDy3P4 tetrahedra. There are a spread of Fe–P bond distances ranging from 2.15–2.24 Å. There are three inequivalent P sites. In the first P site, P is bonded in a 9-coordinate geometry to two equivalent Dy and seven Fe atoms. In the second P site, P is bonded in a 9-coordinate geometry to two equivalent Dy and seven Fe atoms. In the third P site, P is bonded in a 9-coordinate geometry to two equivalent Dy and seven Fe atoms.

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Materials Data on Dy3In5 by Materials Project

Dy3In5 crystallizes in the orthorhombic Cmcm 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 ten In atoms. There are a spread of Dy–In bond distances ranging from 3.20–3.50 Å. In the second Dy site, Dy is bonded in a 9-coordinate geometry to nine In atoms. There are a spread of Dy–In bond distances ranging from 3.09–3.50 Å. There are three inequivalent In sites. In the first In site, In is bonded in a 10-coordinate geometry to six Dy and four In atoms. There are a spread of In–In bond distances ranging from 3.06–3.32 Å. In the second In site, In is bonded in a 5-coordinate geometry to five Dy and six In atoms. Both In–In bond lengths are 3.20 Å. In the third In site, In is bonded in a 10-coordinate geometry to six Dy and four In atoms. The In–In bond length is 3.20 Å.

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Materials Data on Dy2SnS3 by Materials Project

Dy2SnS3 crystallizes in the monoclinic Cc space group. The structure is three-dimensional. there are two inequivalent Dy sites. In the first Dy site, Dy is bonded in a 4-coordinate geometry to four S atoms. There are a spread of Dy–S bond distances ranging from 2.64–2.69 Å. In the second Dy site, Dy is bonded in a distorted rectangular see-saw-like geometry to four S atoms. There are a spread of Dy–S bond distances ranging from 2.65–2.69 Å. Sn is bonded in a 2-coordinate geometry to two S atoms. There are one shorter (2.56 Å) and one longer (2.81 Å) Sn–S bond lengths. There are three inequivalent S sites. In the first S site, S is bonded in a distorted T-shaped geometry to two Dy and one Sn atom. In the second S site, S is bonded in a rectangular see-saw-like geometry to three Dy and one Sn atom. In the third S site, S is bonded in a 3-coordinate geometry to three Dy atoms.

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Materials Data on Dy4Ga16Co3 by Materials Project

Dy4Co3Ga16 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Dy is bonded to twelve Ga atoms to form DyGa12 cuboctahedra that share corners with eight equivalent DyGa12 cuboctahedra, edges with two equivalent GaDy4Ga8 cuboctahedra, faces with two equivalent GaDy4Ga8 cuboctahedra, faces with five equivalent DyGa12 cuboctahedra, and faces with two equivalent CoGa6 octahedra. There are a spread of Dy–Ga bond distances ranging from 3.00–3.05 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded in a body-centered cubic geometry to eight Ga atoms. All Co–Ga bond lengths are 2.48 Å. In the second Co site, Co is bonded to six Ga atoms to form CoGa6 octahedra that share corners with eight equivalent GaDy4Ga8 cuboctahedra and faces with eight equivalent DyGa12 cuboctahedra. There are four shorter (2.39 Å) and two longer (2.43 Å) Co–Ga bond lengths. There are seven inequivalent Ga sites. In the first Ga site, Ga is bonded in a 4-coordinate geometry to two equivalent Dy, two equivalent Co, and seven Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.56–3.02 Å. In the second Ga site, Ga is bonded in a 4-coordinate geometry to two equivalent Dy, two equivalent Co, and seven Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.56–3.02 Å. In the third Ga site, Ga is bonded in a 4-coordinate geometry to two equivalent Dy, two equivalent Co, and seven Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.56–2.97 Å. In the fourth Ga site, Ga is bonded in a 4-coordinate geometry to two equivalent Dy, two equivalent Co, and seven Ga atoms. Both Ga–Dy bond lengths are 3.00 Å. There are a spread of Ga–Ga bond distances ranging from 2.82–3.02 Å. In the fifth Ga site, Ga is bonded in a 1-coordinate geometry to four equivalent Dy, one Co, and four Ga atoms. There are two shorter (2.65 Å) and two longer (2.89 Å) Ga–Ga bond lengths. In the sixth Ga site, Ga is bonded to four equivalent Dy and eight Ga atoms to form distorted GaDy4Ga8 cuboctahedra that share corners with four equivalent GaDy4Ga8 cuboctahedra, corners with four equivalent CoGa6 octahedra, edges with four equivalent DyGa12 cuboctahedra, a faceface with one GaDy4Ga8 cuboctahedra, and faces with four equivalent DyGa12 cuboctahedra. The corner-sharing octahedral tilt angles are 50°. In the seventh Ga site, Ga is bonded in a 5-coordinate geometry to four equivalent Dy, one Co, and four Ga atoms.

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Materials Data on Dy2Si3Rh by Materials Project

Dy2RhSi3 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 twelve equivalent Si atoms to form DySi12 cuboctahedra that share edges with twelve equivalent DySi8Rh4 cuboctahedra and faces with eight DySi12 cuboctahedra. There are six shorter (3.08 Å) and six longer (3.09 Å) Dy–Si bond lengths. In the second Dy site, Dy is bonded to four equivalent Rh and eight equivalent Si atoms to form a mixture of distorted edge and face-sharing DySi8Rh4 cuboctahedra. There are two shorter (3.03 Å) and two longer (3.16 Å) Dy–Rh bond lengths. There are four shorter (3.04 Å) and four longer (3.13 Å) Dy–Si bond lengths. Rh is bonded in a 3-coordinate geometry to six equivalent Dy and three equivalent Si atoms. All Rh–Si bond lengths are 2.37 Å. Si is bonded in a 1-coordinate geometry to six Dy, one Rh, and two equivalent Si atoms. Both Si–Si bond lengths are 2.36 Å.

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Materials Data on Dy2Ga3(Fe7C)2 by Materials Project

Dy2Ga3(Fe7C)2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Dy is bonded in a distorted bent 120 degrees geometry to six Fe, three Ga, and two equivalent C atoms. There are a spread of Dy–Fe bond distances ranging from 3.03–3.31 Å. There are two shorter (3.31 Å) and one longer (3.39 Å) Dy–Ga bond lengths. Both Dy–C bond lengths are 2.51 Å. There are five inequivalent Fe sites. In the first Fe site, Fe is bonded in a 1-coordinate geometry to one Dy, ten Fe, and three Ga atoms. There are a spread of Fe–Fe bond distances ranging from 2.33–2.76 Å. There are one shorter (2.64 Å) and two longer (2.65 Å) Fe–Ga bond lengths. In the second Fe site, Fe is bonded to three equivalent Dy, seven Fe, and two equivalent Ga atoms to form FeDy3Ga2Fe7 cuboctahedra that share corners with four equivalent FeDy3Ga2Fe7 cuboctahedra, corners with five GaDy2Fe10 cuboctahedra, corners with four equivalent CDy2Fe4 octahedra, an edgeedge with one FeDy3Ga2Fe7 cuboctahedra, edges with three GaDy2Fe10 cuboctahedra, a faceface with one FeDy3Ga2Fe7 cuboctahedra, faces with three GaDy2Fe10 cuboctahedra, and faces with two equivalent CDy2Fe4 octahedra. The corner-sharing octahedra tilt angles range from 63–69°. There are a spread of Fe–Fe bond distances ranging from 2.50–2.61 Å. Both Fe–Ga bond lengths are 2.48 Å. In the third Fe site, Fe is bonded in a single-bond geometry to three Fe, two Ga, and one C atom. The Fe–Fe bond length is 2.58 Å. Both Fe–Ga bond lengths are 2.49 Å. The Fe–C bond length is 1.91 Å. In the fourth Fe site, Fe is bonded in a 12-coordinate geometry to two equivalent Dy, eight Fe, and two equivalent Ga atoms. Both Fe–Fe bond lengths are 2.50 Å. Both Fe–Ga bond lengths are 2.46 Å. In the fifth Fe site, Fe is bonded in a single-bond geometry to four Fe, two Ga, and one C atom. Both Fe–Ga bond lengths are 2.44 Å. The Fe–C bond length is 1.84 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded to two equivalent Dy and ten Fe atoms to form distorted GaDy2Fe10 cuboctahedra that share corners with four equivalent GaDy2Fe10 cuboctahedra, corners with six equivalent FeDy3Ga2Fe7 cuboctahedra, edges with two equivalent FeDy3Ga2Fe7 cuboctahedra, faces with two equivalent FeDy3Ga2Fe7 cuboctahedra, faces with four equivalent GaDy2Fe10 cuboctahedra, and faces with four equivalent CDy2Fe4 octahedra. In the second Ga site, Ga is bonded to two equivalent Dy and ten Fe atoms to form distorted GaDy2Fe10 cuboctahedra that share corners with two equivalent FeDy3Ga2Fe7 cuboctahedra, corners with four GaDy2Fe10 cuboctahedra, corners with two equivalent CDy2Fe4 octahedra, edges with two equivalent FeDy3Ga2Fe7 cuboctahedra, faces with two equivalent FeDy3Ga2Fe7 cuboctahedra, faces with four GaDy2Fe10 cuboctahedra, and faces with two equivalent CDy2Fe4 octahedra. The corner-sharing octahedral tilt angles are 45°. C is bonded to two equivalent Dy and four Fe atoms to form CDy2Fe4 octahedra that share corners with two equivalent GaDy2Fe10 cuboctahedra, corners with four equivalent FeDy3Ga2Fe7 cuboctahedra, corners with two equivalent CDy2Fe4 octahedra, faces with two equivalent FeDy3Ga2Fe7 cuboctahedra, and faces with four GaDy2Fe10 cuboctahedra. The corner-sharing octahedral tilt angles are 63°.

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Materials Data on DySi3Rh5 by Materials Project

DyRh5Si3 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. Dy is bonded in a 12-coordinate geometry to six Rh and six Si atoms. There are two shorter (3.07 Å) and four longer (3.12 Å) Dy–Rh bond lengths. There are a spread of Dy–Si bond distances ranging from 3.07–3.10 Å. There are five inequivalent Rh sites. In the first Rh site, Rh is bonded in a distorted trigonal non-coplanar geometry to three equivalent Si atoms. There are one shorter (2.34 Å) and two longer (2.49 Å) Rh–Si bond lengths. In the second Rh site, Rh is bonded in a 4-coordinate geometry to two equivalent Dy and four Si atoms. There are a spread of Rh–Si bond distances ranging from 2.39–2.49 Å. In the third Rh site, Rh is bonded in a 4-coordinate geometry to two equivalent Dy and four Si atoms. There are a spread of Rh–Si bond distances ranging from 2.40–2.49 Å. In the fourth Rh site, Rh is bonded in a 4-coordinate geometry to two equivalent Dy and four Si atoms. There are a spread of Rh–Si bond distances ranging from 2.41–2.51 Å. In the fifth Rh site, Rh is bonded in a 5-coordinate geometry to five Si atoms. There are one shorter (2.37 Å) and four longer (2.52 Å) Rh–Si bond lengths. There are three inequivalent Si sites. In the first Si site, Si is bonded in a 10-coordinate geometry to two equivalent Dy and six Rh atoms. In the second Si site, Si is bonded in a 9-coordinate geometry to two equivalent Dy and seven Rh atoms. In the third Si site, Si is bonded in a 9-coordinate geometry to two equivalent Dy and seven Rh atoms.

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Materials Data on DyAl by Materials Project

DyAl crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. there are two inequivalent Dy sites. In the first Dy site, Dy is bonded in a 2-coordinate geometry to eight Al atoms. There are a spread of Dy–Al bond distances ranging from 3.07–3.41 Å. In the second Dy site, Dy is bonded in a 6-coordinate geometry to eight Al atoms. There are a spread of Dy–Al bond distances ranging from 3.08–3.54 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 10-coordinate geometry to eight Dy and two equivalent Al atoms. Both Al–Al bond lengths are 2.73 Å. In the second Al site, Al is bonded to eight Dy and four Al atoms to form a mixture of distorted edge, face, and corner-sharing AlDy8Al4 cuboctahedra. Both Al–Al bond lengths are 2.82 Å.

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Materials Data on Dy5Ga3 by Materials Project

Dy5Ga3 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Dy sites. In the first Dy site, Dy is bonded in a 4-coordinate geometry to six Ga atoms. There are four shorter (3.03 Å) and two longer (3.55 Å) Dy–Ga bond lengths. In the second Dy site, Dy is bonded to five Ga atoms to form a mixture of distorted face, edge, and corner-sharing DyGa5 trigonal bipyramids. There are a spread of Dy–Ga bond distances ranging from 3.07–3.19 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 10-coordinate geometry to ten Dy atoms. In the second Ga site, Ga is bonded in a 9-coordinate geometry to eight Dy and one Ga atom. The Ga–Ga bond length is 2.64 Å.

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Materials Data on DyAl3 by Materials Project

Al3Dy 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 twelve Al atoms to form DyAl12 cuboctahedra that share corners with six equivalent DyAl12 cuboctahedra, corners with twelve equivalent AlDy4Al8 cuboctahedra, edges with six equivalent AlDy4Al8 cuboctahedra, faces with six equivalent AlDy4Al8 cuboctahedra, and faces with eight DyAl12 cuboctahedra. There are six shorter (3.06 Å) and six longer (3.08 Å) Dy–Al bond lengths. In the second Dy site, Dy is bonded to twelve Al atoms to form DyAl12 cuboctahedra that share corners with twelve equivalent DyAl12 cuboctahedra, edges with twelve equivalent AlDy4Al8 cuboctahedra, faces with six equivalent DyAl12 cuboctahedra, and faces with six equivalent AlDy4Al8 cuboctahedra. There are six shorter (2.97 Å) and six longer (3.07 Å) Dy–Al bond lengths. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 10-coordinate geometry to four Dy and six Al atoms. There are two shorter (2.75 Å) and four longer (2.92 Å) Al–Al bond lengths. In the second Al site, Al is bonded to four Dy and eight Al atoms to form distorted AlDy4Al8 cuboctahedra that share corners with four equivalent DyAl12 cuboctahedra, corners with fourteen equivalent AlDy4Al8 cuboctahedra, edges with four equivalent AlDy4Al8 cuboctahedra, edges with six DyAl12 cuboctahedra, faces with four DyAl12 cuboctahedra, and faces with six equivalent AlDy4Al8 cuboctahedra. All Al–Al bond lengths are 3.06 Å.

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Materials Data on Dy2Ge5Rh3 by Materials Project

Dy2Rh3Ge5 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Dy is bonded in a 8-coordinate geometry to six Rh and ten Ge atoms. There are a spread of Dy–Rh bond distances ranging from 3.19–3.57 Å. There are a spread of Dy–Ge bond distances ranging from 3.04–3.40 Å. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 6-coordinate geometry to four equivalent Dy and six Ge atoms. There are a spread of Rh–Ge bond distances ranging from 2.51–2.74 Å. In the second Rh site, Rh is bonded in a 9-coordinate geometry to four equivalent Dy and five Ge atoms. There are a spread of Rh–Ge bond distances ranging from 2.42–2.57 Å. There are four inequivalent Ge sites. In the first Ge site, Ge is bonded in a 4-coordinate geometry to four equivalent Dy and four equivalent Rh atoms. In the second Ge site, Ge is bonded in a 11-coordinate geometry to four equivalent Dy, three Rh, and four Ge atoms. There are two shorter (2.69 Å) and two longer (2.96 Å) Ge–Ge bond lengths. In the third Ge site, Ge is bonded in a 9-coordinate geometry to four equivalent Dy, three Rh, and two Ge atoms. The Ge–Ge bond length is 2.70 Å. In the fourth Ge site, Ge is bonded in a 2-coordinate geometry to four equivalent Dy, three Rh, and four Ge atoms.

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Materials Data on Dy2Si5Rh3 by Materials Project

Dy2Rh3Si5 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Dy is bonded in a 5-coordinate geometry to seven Rh and ten Si atoms. There are a spread of Dy–Rh bond distances ranging from 3.08–3.50 Å. There are a spread of Dy–Si bond distances ranging from 3.00–3.32 Å. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 6-coordinate geometry to four equivalent Dy and six Si atoms. There are a spread of Rh–Si bond distances ranging from 2.44–2.65 Å. In the second Rh site, Rh is bonded in a 5-coordinate geometry to five equivalent Dy and five Si atoms. There are a spread of Rh–Si bond distances ranging from 2.37–2.48 Å. There are four inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to four equivalent Dy, three Rh, and two Si atoms. Both Si–Si bond lengths are 2.52 Å. In the second Si site, Si is bonded in a 3-coordinate geometry to four equivalent Dy, three Rh, and two equivalent Si atoms. In the third Si site, Si is bonded in a 4-coordinate geometry to four equivalent Dy and four equivalent Rh atoms. In the fourth Si site, Si is bonded in a 2-coordinate geometry to four equivalent Dy, three Rh, and two equivalent Si atoms.

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Materials Data on Pr3Dy by Materials Project

DyPr3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. there are two inequivalent Dy sites. In the first Dy site, Dy is bonded to twelve Pr atoms to form DyPr12 cuboctahedra that share corners with six equivalent DyPr12 cuboctahedra, corners with twelve equivalent PrPr8Dy4 cuboctahedra, edges with eighteen PrPr8Dy4 cuboctahedra, faces with eight DyPr12 cuboctahedra, and faces with twelve PrPr8Dy4 cuboctahedra. All Dy–Pr bond lengths are 3.69 Å. In the second Dy site, Dy is bonded to twelve Pr atoms to form DyPr12 cuboctahedra that share corners with six equivalent DyPr12 cuboctahedra, corners with twelve equivalent PrPr8Dy4 cuboctahedra, edges with eighteen PrPr8Dy4 cuboctahedra, faces with eight DyPr12 cuboctahedra, and faces with twelve PrPr8Dy4 cuboctahedra. There are six shorter (3.68 Å) and six longer (3.69 Å) Dy–Pr bond lengths. There are two inequivalent Pr sites. In the first Pr site, Pr is bonded to four Dy and eight Pr atoms to form PrPr8Dy4 cuboctahedra that share corners with four equivalent DyPr12 cuboctahedra, corners with fourteen equivalent PrPr8Dy4 cuboctahedra, edges with six DyPr12 cuboctahedra, edges with twelve PrPr8Dy4 cuboctahedra, faces with four DyPr12 cuboctahedra, and faces with sixteen PrPr8Dy4 cuboctahedra. There are two shorter (3.67 Å) and six longer (3.70 Å) Pr–Pr bond lengths. In the second Pr site, Pr is bonded to four Dy and eight Pr atoms to form PrPr8Dy4 cuboctahedra that share corners with four equivalent DyPr12 cuboctahedra, corners with fourteen equivalent PrPr8Dy4 cuboctahedra, edges with six DyPr12 cuboctahedra, edges with twelve PrPr8Dy4 cuboctahedra, faces with four DyPr12 cuboctahedra, and faces with sixteen PrPr8Dy4 cuboctahedra. There are two shorter (3.64 Å) and two longer (3.73 Å) Pr–Pr bond lengths.

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Materials Data on Dy2Ge6Pd by Materials Project

Dy2PdGe6 crystallizes in the orthorhombic Cmce space group. The structure is three-dimensional. Dy is bonded to two equivalent Pd and ten Ge atoms to form a mixture of distorted corner, edge, and face-sharing DyGe10Pd2 cuboctahedra. There are one shorter (3.17 Å) and one longer (3.18 Å) Dy–Pd bond lengths. There are a spread of Dy–Ge bond distances ranging from 2.98–3.40 Å. Pd is bonded in a 9-coordinate geometry to four equivalent Dy and five Ge atoms. There are a spread of Pd–Ge bond distances ranging from 2.46–2.54 Å. There are five inequivalent Ge sites. In the first Ge site, Ge is bonded in a 1-coordinate geometry to two equivalent Dy, one Pd, and three Ge atoms. There are one shorter (2.54 Å) and two longer (2.57 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded in a 1-coordinate geometry to two equivalent Dy, one Pd, and three Ge atoms. Both Ge–Ge bond lengths are 2.57 Å. In the third Ge site, Ge is bonded in a 1-coordinate geometry to two equivalent Dy, one Pd, and three Ge atoms. The Ge–Ge bond length is 2.52 Å. In the fourth Ge site, Ge is bonded in a 8-coordinate geometry to six equivalent Dy and two Ge atoms. There are one shorter (2.55 Å) and one longer (2.70 Å) Ge–Ge bond lengths. In the fifth Ge site, Ge is bonded in a 9-coordinate geometry to six equivalent Dy, one Pd, and two Ge atoms. The Ge–Ge bond length is 2.48 Å.

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Materials Data on Dy3(Si3Pd10)2 by Materials Project

Dy3Pd20Si6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Dy sites. In the first Dy site, Dy is bonded in a distorted tetrahedral geometry to four equivalent Pd atoms. All Dy–Pd bond lengths are 2.85 Å. In the second Dy site, Dy is bonded in a cuboctahedral geometry to twelve equivalent Pd atoms. All Dy–Pd bond lengths are 3.01 Å. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded to one Dy and three equivalent Si atoms to form a mixture of edge and corner-sharing PdDySi3 tetrahedra. All Pd–Si bond lengths are 2.49 Å. In the second Pd site, Pd is bonded in a 2-coordinate geometry to one Dy and two equivalent Si atoms. Both Pd–Si bond lengths are 2.43 Å. Si is bonded in a 8-coordinate geometry to eight Pd atoms.

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Materials Data on Dy2(Al3Ir)3 by Materials Project

Dy2(IrAl3)3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Dy is bonded in a 11-coordinate geometry to six Ir and eleven Al atoms. There are a spread of Dy–Ir bond distances ranging from 3.43–3.47 Å. There are a spread of Dy–Al bond distances ranging from 3.05–3.15 Å. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a 8-coordinate geometry to four equivalent Dy and eight Al atoms. There are four shorter (2.57 Å) and four longer (2.62 Å) Ir–Al bond lengths. In the second Ir site, Ir is bonded in a 8-coordinate geometry to four equivalent Dy and eight Al atoms. There are a spread of Ir–Al bond distances ranging from 2.56–2.61 Å. There are four inequivalent Al sites. In the first Al site, Al is bonded in a 2-coordinate geometry to two equivalent Dy and two equivalent Ir atoms. In the second Al site, Al is bonded in a 3-coordinate geometry to three equivalent Dy and three Ir atoms. In the third Al site, Al is bonded in a 3-coordinate geometry to two equivalent Dy and three Ir atoms. In the fourth Al site, Al is bonded in a 2-coordinate geometry to two equivalent Dy and two equivalent Ir atoms.

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