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DOE OSTI2020

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 (3.07 Å) and six longer (3.08 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 edge and face-sharing DySi8Rh4 cuboctahedra. There are two shorter (3.05 Å) and two longer (3.11 Å) Dy–Rh bond lengths. There are four shorter (3.07 Å) and four longer (3.10 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 2.35 Å.

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Materials Data on Dy2Si3 by Materials Project

Dy2Si3 crystallizes in the orthorhombic Imm2 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 eight Si atoms. There are a spread of Dy–Si bond distances ranging from 2.92–3.09 Å. In the second Dy site, Dy is bonded in a 10-coordinate geometry to ten Si atoms. There are a spread of Dy–Si bond distances ranging from 2.97–3.12 Å. There are three inequivalent Si sites. In the first Si site, Si is bonded in a 7-coordinate geometry to six Dy and one Si atom. The Si–Si bond length is 2.33 Å. In the second Si site, Si is bonded in a 8-coordinate geometry to six Dy and two equivalent Si atoms. Both Si–Si bond lengths are 2.38 Å. In the third Si site, Si is bonded in a 9-coordinate geometry to six Dy and three Si atoms.

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Materials Data on Dy2Fe15Si2C by Materials Project

Dy2Fe15Si2C crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Dy is bonded in a distorted single-bond geometry to thirteen Fe, one Si, and one C atom. There are a spread of Dy–Fe bond distances ranging from 2.91–3.33 Å. The Dy–Si bond length is 3.07 Å. The Dy–C bond length is 2.48 Å. There are six inequivalent Fe sites. In the first Fe site, Fe is bonded in a single-bond geometry to six Fe, one Si, and one C atom. There are a spread of Fe–Fe bond distances ranging from 2.43–2.59 Å. The Fe–Si bond length is 2.60 Å. The Fe–C bond length is 1.92 Å. In the second Fe site, Fe is bonded to three equivalent Dy, eight Fe, and one Si atom to form FeDy3Fe8Si cuboctahedra that share corners with twelve FeDy3Fe8Si cuboctahedra, corners with two equivalent CDy2Fe4 octahedra, edges with six FeDy3Fe8Si cuboctahedra, faces with seven FeDy3Fe8Si cuboctahedra, and a faceface with one CDy2Fe4 octahedra. The corner-sharing octahedra tilt angles range from 65–71°. There are a spread of Fe–Fe bond distances ranging from 2.40–2.60 Å. The Fe–Si bond length is 2.57 Å. In the third Fe site, Fe is bonded to two equivalent Dy, eight Fe, and two equivalent Si atoms to form distorted FeDy2Fe8Si2 cuboctahedra that share corners with eight FeDy3Fe8Si cuboctahedra, corners with two equivalent CDy2Fe4 octahedra, edges with four equivalent FeDy3Fe8Si cuboctahedra, and faces with eight FeDy3Fe8Si cuboctahedra. The corner-sharing octahedral tilt angles are 47°. All Fe–Fe bond lengths are 2.46 Å. Both Fe–Si bond lengths are 2.58 Å. In the fourth Fe site, Fe is bonded to two equivalent Dy, eight Fe, and two equivalent Si atoms to form distorted FeDy2Fe8Si2 cuboctahedra that share corners with twelve FeDy3Fe8Si cuboctahedra, edges with four equivalent FeDy3Fe8Si cuboctahedra, faces with eight FeDy3Fe8Si cuboctahedra, and faces with two equivalent CDy2Fe4 octahedra. There are two shorter (2.44 Å) and two longer (2.45 Å) Fe–Fe bond lengths. Both Fe–Si bond lengths are 2.56 Å. In the fifth Fe site, Fe is bonded in a single-bond geometry to six Fe, two equivalent Si, and one C atom. Both Fe–Fe bond lengths are 2.47 Å. Both Fe–Si bond lengths are 2.69 Å. The Fe–C bond length is 1.85 Å. In the sixth Fe site, Fe is bonded in a 12-coordinate geometry to two equivalent Dy, eight Fe, and two equivalent Si atoms. The Fe–Fe bond length is 2.52 Å. There are one shorter (2.83 Å) and one longer (2.87 Å) Fe–Si bond lengths. Si is bonded in a 10-coordinate geometry to one Dy, twelve Fe, and one Si atom. The Si–Si bond length is 2.55 Å. C is bonded to two equivalent Dy and four Fe atoms to form CDy2Fe4 octahedra that share corners with ten FeDy2Fe8Si2 cuboctahedra and faces with eight FeDy2Fe8Si2 cuboctahedra.

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Materials Data on Dy2Si3Pd by Materials Project

Dy2PdSi3 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 four equivalent Pd and eight equivalent Si atoms to form a mixture of distorted edge and face-sharing DySi8Pd4 cuboctahedra. There are two shorter (3.01 Å) and two longer (3.20 Å) Dy–Pd bond lengths. There are four shorter (3.04 Å) and four longer (3.15 Å) Dy–Si bond lengths. In the second Dy site, Dy is bonded to twelve equivalent Si atoms to form a mixture of edge and face-sharing DySi12 cuboctahedra. There are six shorter (3.06 Å) and six longer (3.08 Å) Dy–Si bond lengths. Pd is bonded in a 3-coordinate geometry to six equivalent Dy and three equivalent Si atoms. All Pd–Si bond lengths are 2.41 Å. Si is bonded in a 1-coordinate geometry to six Dy, one Pd, and two equivalent Si atoms. Both Si–Si bond lengths are 2.36 Å.

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Materials Data on DyIn7Cu5 by Materials Project

DyCu5In7 crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. Dy is bonded in a 8-coordinate geometry to ten Cu and ten In atoms. There are a spread of Dy–Cu bond distances ranging from 3.49–3.66 Å. There are a spread of Dy–In bond distances ranging from 3.18–3.47 Å. There are two inequivalent Cu sites. In the first Cu site, Cu is bonded in a 12-coordinate geometry to two equivalent Dy, three Cu, and seven In atoms. There are a spread of Cu–Cu bond distances ranging from 2.71–2.76 Å. There are a spread of Cu–In bond distances ranging from 2.70–3.01 Å. In the second Cu site, Cu is bonded to two equivalent Dy, four equivalent Cu, and six In atoms to form distorted edge-sharing CuDy2In6Cu4 cuboctahedra. There are a spread of Cu–In bond distances ranging from 2.75–2.93 Å. There are five inequivalent In sites. In the first In site, In is bonded in a 5-coordinate geometry to one Dy, four equivalent Cu, and five In atoms. There are a spread of In–In bond distances ranging from 2.98–3.19 Å. In the second In site, In is bonded in a 8-coordinate geometry to one Dy, six Cu, and three In atoms. Both In–In bond lengths are 3.34 Å. In the third In site, In is bonded in a 6-coordinate geometry to one Dy, five Cu, and four In atoms. There are a spread of In–In bond distances ranging from 3.00–3.16 Å. In the fourth In site, In is bonded in a 12-coordinate geometry to two equivalent Dy, four equivalent Cu, and six In atoms. Both In–In bond lengths are 2.90 Å. In the fifth In site, In is bonded in a 12-coordinate geometry to two equivalent Dy, five Cu, and five In atoms.

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Materials Data on Dy4Co3 by Materials Project

Dy4Co3 crystallizes in the trigonal P-3 space group. The structure is three-dimensional. there are two inequivalent Dy sites. In the first Dy site, Dy is bonded in a 7-coordinate geometry to seven Co atoms. There are a spread of Dy–Co bond distances ranging from 2.84–3.04 Å. In the second Dy site, Dy is bonded in a 4-coordinate geometry to four Co atoms. There are a spread of Dy–Co bond distances ranging from 2.79–3.09 Å. There are three inequivalent Co sites. In the first Co site, Co is bonded in a 9-coordinate geometry to six equivalent Dy and three equivalent Co atoms. All Co–Co bond lengths are 2.34 Å. In the second Co site, Co is bonded in a 9-coordinate geometry to eight Dy and one Co atom. In the third Co site, Co is bonded in a 6-coordinate geometry to six equivalent Dy atoms.

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Materials Data on Dy5CuPb3 by Materials Project

Dy5CuPb3 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 to two equivalent Cu and five equivalent Pb atoms to form a mixture of distorted face, edge, and corner-sharing DyCu2Pb5 pentagonal bipyramids. Both Dy–Cu bond lengths are 2.90 Å. There are a spread of Dy–Pb bond distances ranging from 3.14–3.52 Å. In the second Dy site, Dy is bonded in a 6-coordinate geometry to six equivalent Pb atoms. All Dy–Pb bond lengths are 3.31 Å. Cu is bonded to six equivalent Dy atoms to form face-sharing CuDy6 octahedra. Pb is bonded in a 9-coordinate geometry to nine Dy atoms.

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Materials Data on DyAl7Fe5 by Materials Project

DyFe5Al7 crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. Dy is bonded in a 4-coordinate geometry to ten Fe and ten Al atoms. There are a spread of Dy–Fe bond distances ranging from 3.20–3.34 Å. There are a spread of Dy–Al bond distances ranging from 2.89–3.20 Å. There are two inequivalent Fe sites. In the first Fe site, Fe is bonded in a 12-coordinate geometry to two equivalent Dy, three Fe, and seven Al atoms. There are a spread of Fe–Fe bond distances ranging from 2.49–2.53 Å. There are a spread of Fe–Al bond distances ranging from 2.48–2.66 Å. In the second Fe site, Fe is bonded to two equivalent Dy, four equivalent Fe, and six Al atoms to form distorted edge-sharing FeDy2Al6Fe4 cuboctahedra. There are a spread of Fe–Al bond distances ranging from 2.60–2.71 Å. There are five inequivalent Al sites. In the first Al site, Al is bonded in a 10-coordinate geometry to one Dy, four equivalent Fe, and five Al atoms. There are a spread of Al–Al bond distances ranging from 2.70–2.84 Å. In the second Al site, Al is bonded in a 7-coordinate geometry to one Dy, six Fe, and three Al atoms. Both Al–Al bond lengths are 2.88 Å. In the third Al site, Al is bonded in a 10-coordinate geometry to one Dy, five Fe, and four Al atoms. There are a spread of Al–Al bond distances ranging from 2.72–2.80 Å. In the fourth Al site, Al is bonded in a 12-coordinate geometry to two equivalent Dy, four equivalent Fe, and six Al atoms. Both Al–Al bond lengths are 2.70 Å. In the fifth Al site, Al is bonded in a 12-coordinate geometry to two equivalent Dy, five Fe, and five Al atoms.

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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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