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DOE OSTI2020

Materials Data on Dy11(Ni10C)6 by Materials Project

Dy11(Ni10C)6 crystallizes in the cubic Im-3m 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 fifteen Ni atoms. There are a spread of Dy–Ni bond distances ranging from 2.83–2.98 Å. In the second Dy site, Dy is bonded in a 2-coordinate geometry to twelve Ni and two equivalent C atoms. There are four shorter (3.11 Å) and eight longer (3.27 Å) Dy–Ni bond lengths. Both Dy–C bond lengths are 2.62 Å. There are four inequivalent Ni sites. In the first Ni site, Ni is bonded in a single-bond geometry to four equivalent Dy and one C atom. The Ni–C bond length is 1.84 Å. In the second Ni site, Ni is bonded in a 6-coordinate geometry to two equivalent Dy and twelve Ni atoms. There are four shorter (2.57 Å) and eight longer (2.63 Å) Ni–Ni bond lengths. In the third Ni site, Ni is bonded in a single-bond geometry to two equivalent Dy, five Ni, and one C atom. There are two shorter (2.44 Å) and two longer (2.50 Å) Ni–Ni bond lengths. The Ni–C bond length is 1.88 Å. In the fourth Ni site, Ni is bonded to three Dy and nine Ni atoms to form a mixture of distorted edge, face, and corner-sharing NiDy3Ni9 cuboctahedra. There are one shorter (2.31 Å) and two longer (2.37 Å) Ni–Ni bond lengths. C is bonded in a 5-coordinate geometry to one Dy and five Ni atoms.

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Materials Data on DyAl3 by Materials Project

Al3Dy crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are three 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, 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 six equivalent AlDy4Al8 cuboctahedra, corners with nine DyAl12 cuboctahedra, and faces with seven DyAl12 cuboctahedra. There are a spread of Dy–Al bond distances ranging from 3.02–3.06 Å. In the third Dy site, Dy is bonded to twelve Al atoms to form DyAl12 cuboctahedra that share corners with twelve DyAl12 cuboctahedra, edges with six equivalent AlDy4Al8 cuboctahedra, faces with three equivalent AlDy4Al8 cuboctahedra, and faces with six DyAl12 cuboctahedra. There are a spread of Dy–Al bond distances ranging from 2.97–3.06 Å. There are three inequivalent Al sites. In the first 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 six equivalent AlDy4Al8 cuboctahedra, edges with four equivalent AlDy4Al8 cuboctahedra, edges with six DyAl12 cuboctahedra, faces with four DyAl12 cuboctahedra, and faces with four equivalent AlDy4Al8 cuboctahedra. There are four shorter (2.91 Å) and four longer (3.06 Å) Al–Al bond lengths. In the second Al site, Al is bonded in a 12-coordinate geometry to four Dy and eight Al atoms. There are a spread of Al–Al bond distances ranging from 2.93–3.10 Å. In the third Al site, Al is bonded in a 10-coordinate geometry to four Dy and six Al atoms. Both Al–Al bond lengths are 2.72 Å.

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Materials Data on DySn3 by Materials Project

DySn3 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are two inequivalent Dy sites. In the first Dy site, Dy is bonded to twelve Sn atoms to form DySn12 cuboctahedra that share corners with four equivalent DySn12 cuboctahedra, corners with two equivalent SnDy4Sn square pyramids, and faces with four equivalent DySn12 cuboctahedra. There are a spread of Dy–Sn bond distances ranging from 3.14–3.47 Å. In the second Dy site, Dy is bonded in a 9-coordinate geometry to nine Sn atoms. There are a spread of Dy–Sn bond distances ranging from 3.15–3.35 Å. There are six inequivalent Sn sites. In the first Sn site, Sn is bonded in a 8-coordinate geometry to four Dy and four equivalent Sn atoms. All Sn–Sn bond lengths are 3.13 Å. In the second Sn site, Sn is bonded to four equivalent Dy and one Sn atom to form distorted SnDy4Sn square pyramids that share corners with two equivalent DySn12 cuboctahedra, corners with four equivalent SnDy4Sn square pyramids, and edges with four equivalent SnDy4Sn square pyramids. The Sn–Sn bond length is 3.01 Å. In the third Sn site, Sn is bonded in a 9-coordinate geometry to two equivalent Dy and seven Sn atoms. There are four shorter (3.13 Å) and two longer (3.30 Å) Sn–Sn bond lengths. In the fourth Sn site, Sn is bonded in a rectangular see-saw-like geometry to four equivalent Dy and four Sn atoms. Both Sn–Sn bond lengths are 3.31 Å. In the fifth Sn site, Sn is bonded in a 1-coordinate geometry to three Dy and six Sn atoms. In the sixth Sn site, Sn is bonded in a 8-coordinate geometry to four Dy and four equivalent Sn atoms.

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Materials Data on Dy6Al43W4 by Materials Project

Dy6W4Al43 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. Dy is bonded in a 6-coordinate geometry to one Dy, one W, and fifteen Al atoms. The Dy–Dy bond length is 3.44 Å. The Dy–W bond length is 3.49 Å. There are a spread of Dy–Al bond distances ranging from 3.06–3.44 Å. There are two inequivalent W sites. In the first W site, W is bonded in a distorted q6 geometry to two equivalent Dy and ten Al atoms. There are a spread of W–Al bond distances ranging from 2.60–2.73 Å. In the second W site, W is bonded in a cuboctahedral geometry to twelve Al atoms. There are six shorter (2.68 Å) and six longer (2.86 Å) W–Al bond lengths. There are seven inequivalent Al sites. In the first Al site, Al is bonded in a 2-coordinate geometry to one Dy, two W, and three equivalent Al atoms. There are one shorter (2.77 Å) and two longer (2.87 Å) Al–Al bond lengths. In the second Al site, Al is bonded in a 12-coordinate geometry to four equivalent Dy and eight Al atoms. There are a spread of Al–Al bond distances ranging from 2.75–3.06 Å. In the third Al site, Al is bonded in a 1-coordinate geometry to two equivalent Dy, one W, and three Al atoms. There are one shorter (2.72 Å) and one longer (2.87 Å) Al–Al bond lengths. In the fourth Al site, Al is bonded in a distorted linear geometry to two equivalent W atoms. In the fifth Al site, Al is bonded in a 1-coordinate geometry to two equivalent Dy, one W, and nine Al atoms. Both Al–Al bond lengths are 3.01 Å. In the sixth Al site, Al is bonded to three equivalent Dy and nine Al atoms to form a mixture of face and corner-sharing AlDy3Al9 cuboctahedra. All Al–Al bond lengths are 2.83 Å. In the seventh Al site, Al is bonded in a 1-coordinate geometry to two equivalent Dy, one W, and two equivalent Al atoms.

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Materials Data on Dy6Al43Mo4 by Materials Project

Dy6Mo4Al43 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. Dy is bonded in a 6-coordinate geometry to one Dy, one Mo, and fifteen Al atoms. The Dy–Dy bond length is 3.42 Å. The Dy–Mo bond length is 3.50 Å. There are a spread of Dy–Al bond distances ranging from 3.07–3.45 Å. There are two inequivalent Mo sites. In the first Mo site, Mo is bonded in a 10-coordinate geometry to two equivalent Dy and ten Al atoms. There are a spread of Mo–Al bond distances ranging from 2.60–2.73 Å. In the second Mo site, Mo is bonded in a cuboctahedral geometry to twelve Al atoms. There are six shorter (2.68 Å) and six longer (2.86 Å) Mo–Al bond lengths. There are seven inequivalent Al sites. In the first Al site, Al is bonded in a 2-coordinate geometry to one Dy, two Mo, and five Al atoms. There are a spread of Al–Al bond distances ranging from 2.75–2.87 Å. In the second Al site, Al is bonded in a 12-coordinate geometry to four equivalent Dy and eight Al atoms. There are a spread of Al–Al bond distances ranging from 2.75–3.06 Å. In the third Al site, Al is bonded in a 1-coordinate geometry to two equivalent Dy, one Mo, and nine Al atoms. There are a spread of Al–Al bond distances ranging from 2.72–3.04 Å. In the fourth Al site, Al is bonded in a distorted linear geometry to two equivalent Mo and four equivalent Al atoms. In the fifth Al site, Al is bonded in a 12-coordinate geometry to two equivalent Dy, one Mo, and nine Al atoms. Both Al–Al bond lengths are 3.01 Å. In the sixth Al site, Al is bonded to three equivalent Dy and nine Al atoms to form a mixture of face and corner-sharing AlDy3Al9 cuboctahedra. All Al–Al bond lengths are 2.82 Å. In the seventh Al site, Al is bonded in a 1-coordinate geometry to two equivalent Dy, one Mo, and six Al atoms.

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Materials Data on DyGa3 by Materials Project

DyGa3 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 to twelve Ga atoms to form a mixture of face and corner-sharing DyGa12 cuboctahedra. There are six shorter (3.00 Å) and six longer (3.10 Å) Dy–Ga bond lengths. In the second Dy site, Dy is bonded to twelve Ga atoms to form a mixture of face and corner-sharing DyGa12 cuboctahedra. There are a spread of Dy–Ga bond distances ranging from 3.06–3.10 Å. In the third Dy site, Dy is bonded to twelve Ga atoms to form a mixture of distorted face and corner-sharing DyGa12 cuboctahedra. There are a spread of Dy–Ga bond distances ranging from 3.01–3.11 Å. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded in a 10-coordinate geometry to four Dy and six Ga atoms. There are two shorter (2.77 Å) and four longer (2.91 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 4-coordinate geometry to four Dy and four Ga atoms. Both Ga–Ga bond lengths are 2.87 Å. In the third Ga site, Ga is bonded in a 10-coordinate geometry to four Dy and six Ga atoms. There are two shorter (2.71 Å) and two longer (2.86 Å) Ga–Ga bond lengths.

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Materials Data on Dy2As7Rh12 by Materials Project

Dy2Rh12As7 crystallizes in the trigonal P3 space group. The structure is three-dimensional. there are two inequivalent Dy sites. In the first Dy site, Dy is bonded to six equivalent Rh and six equivalent As atoms to form distorted DyAs6Rh6 cuboctahedra that share corners with twelve RhAs4 tetrahedra, edges with three equivalent RhAs4 tetrahedra, and faces with two equivalent DyAs6Rh6 cuboctahedra. There are three shorter (3.14 Å) and three longer (3.15 Å) Dy–Rh bond lengths. All Dy–As bond lengths are 3.11 Å. In the second Dy site, Dy is bonded to six equivalent Rh and six equivalent As atoms to form distorted DyAs6Rh6 cuboctahedra that share corners with twelve RhAs4 tetrahedra, edges with three equivalent RhAs4 tetrahedra, and faces with two equivalent DyAs6Rh6 cuboctahedra. All Dy–Rh bond lengths are 3.15 Å. There are three shorter (3.09 Å) and three longer (3.10 Å) Dy–As bond lengths. There are four inequivalent Rh sites. In the first Rh site, Rh is bonded in a 6-coordinate geometry to two equivalent Dy and four As atoms. There are a spread of Rh–As bond distances ranging from 2.42–2.61 Å. In the second Rh site, Rh is bonded in a 6-coordinate geometry to two equivalent Dy and four As atoms. There are a spread of Rh–As bond distances ranging from 2.41–2.64 Å. In the third Rh site, Rh is bonded to four As atoms to form distorted RhAs4 tetrahedra that share corners with four DyAs6Rh6 cuboctahedra, corners with seven RhAs4 tetrahedra, an edgeedge with one DyAs6Rh6 cuboctahedra, and edges with two equivalent RhAs4 tetrahedra. There are a spread of Rh–As bond distances ranging from 2.42–2.52 Å. In the fourth Rh site, Rh is bonded to four As atoms to form distorted RhAs4 tetrahedra that share corners with four DyAs6Rh6 cuboctahedra, corners with seven RhAs4 tetrahedra, an edgeedge with one DyAs6Rh6 cuboctahedra, and edges with two equivalent RhAs4 tetrahedra. There are a spread of Rh–As bond distances ranging from 2.46–2.60 Å. There are three inequivalent As sites. In the first As site, As is bonded in a distorted octahedral geometry to six Rh atoms. In the second As site, As is bonded in a 9-coordinate geometry to two equivalent Dy and seven Rh atoms. In the third As site, As is bonded in a 9-coordinate geometry to two equivalent Dy and seven Rh atoms.

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Materials Data on Dy2Ga3Co by Materials Project

Dy2CoGa3 crystallizes in the monoclinic Cm 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 three equivalent Co and nine Ga atoms. There are two shorter (3.13 Å) and one longer (3.29 Å) Dy–Co bond lengths. There are a spread of Dy–Ga bond distances ranging from 2.98–3.24 Å. In the second Dy site, Dy is bonded in a 11-coordinate geometry to three equivalent Co and nine Ga atoms. There are two shorter (3.01 Å) and one longer (3.04 Å) Dy–Co bond lengths. There are a spread of Dy–Ga bond distances ranging from 2.98–3.41 Å. Co is bonded in a 10-coordinate geometry to six Dy and four Ga atoms. There are a spread of Co–Ga bond distances ranging from 2.44–2.73 Å. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded in a 10-coordinate geometry to six Dy, one Co, and three Ga atoms. There are two shorter (2.60 Å) and one longer (2.93 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 10-coordinate geometry to six Dy, two equivalent Co, and two Ga atoms. The Ga–Ga bond length is 2.74 Å. In the third Ga site, Ga is bonded in a 10-coordinate geometry to six Dy, one Co, and three Ga atoms.

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Materials Data on Dy3Ga8Rh3 by Materials Project

Dy3Rh3Ga8 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Dy sites. In the first Dy site, Dy is bonded to four equivalent Rh and twelve Ga atoms to form distorted face-sharing DyGa12Rh4 cuboctahedra. All Dy–Rh bond lengths are 3.50 Å. There are four shorter (3.20 Å) and eight longer (3.22 Å) Dy–Ga bond lengths. In the second Dy site, Dy is bonded in a 12-coordinate geometry to four Rh and eight Ga atoms. There are two shorter (2.98 Å) and two longer (3.01 Å) Dy–Rh bond lengths. There are four shorter (3.06 Å) and four longer (3.17 Å) Dy–Ga bond lengths. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a distorted body-centered cubic geometry to four equivalent Dy and four equivalent Ga atoms. All Rh–Ga bond lengths are 2.62 Å. In the second Rh site, Rh is bonded in a 12-coordinate geometry to four Dy and six Ga atoms. There are two shorter (2.56 Å) and four longer (2.60 Å) Rh–Ga bond lengths. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 9-coordinate geometry to three Dy, three Rh, and three equivalent Ga atoms. There are two shorter (2.67 Å) and one longer (2.71 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 1-coordinate geometry to four Dy, one Rh, and four Ga atoms. The Ga–Ga bond length is 2.55 Å.

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Materials Data on DyN3O14 by Materials Project

Dy(NO4)3O2 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two oxygen molecules and two Dy(NO4)3 clusters. In each Dy(NO4)3 cluster, Dy is bonded in a 7-coordinate geometry to eight O atoms. There are a spread of Dy–O bond distances ranging from 2.19–2.98 Å. There are three inequivalent N sites. In the first N site, N is bonded in a trigonal planar geometry to three O atoms. There are a spread of N–O bond distances ranging from 1.22–1.31 Å. In the second N site, N is bonded in a trigonal planar geometry to three O atoms. There is one shorter (1.23 Å) and two longer (1.29 Å) N–O bond length. In the third N site, N is bonded in a trigonal planar geometry to three O atoms. There are a spread of N–O bond distances ranging from 1.22–1.31 Å. There are twelve inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one N atom. In the second O site, O is bonded in a single-bond geometry to one O atom. The O–O bond length is 1.24 Å. In the third O site, O is bonded in an L-shaped geometry to one Dy and one N atom. In the fourth O site, O is bonded in an L-shaped geometry to one Dy and one N atom. In the fifth O site, O is bonded in a distorted L-shaped geometry to one Dy and one N atom. In the sixth O site, O is bonded in a single-bond geometry to one Dy atom. In the seventh O site, O is bonded in a single-bond geometry to one N atom. In the eighth O site, O is bonded in a distorted water-like geometry to one Dy and one N atom. In the ninth O site, O is bonded in a distorted L-shaped geometry to one Dy and one N atom. In the tenth O site, O is bonded in a distorted water-like geometry to one Dy and one N atom. In the eleventh O site, O is bonded in a single-bond geometry to one N atom. In the twelfth O site, O is bonded in an L-shaped geometry to one Dy and one O atom.

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Materials Data on Dy3Ga8Ir3 by Materials Project

Dy3Ir3Ga8 crystallizes in the orthorhombic Immm 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 four equivalent Ir and twelve Ga atoms. All Dy–Ir bond lengths are 3.49 Å. There are eight shorter (3.21 Å) and four longer (3.22 Å) Dy–Ga bond lengths. In the second Dy site, Dy is bonded in a 12-coordinate geometry to four Ir and eight Ga atoms. There are two shorter (2.95 Å) and two longer (2.99 Å) Dy–Ir bond lengths. There are four shorter (3.03 Å) and four longer (3.18 Å) Dy–Ga bond lengths. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a distorted body-centered cubic geometry to four equivalent Dy and four equivalent Ga atoms. All Ir–Ga bond lengths are 2.62 Å. In the second Ir site, Ir is bonded in a 12-coordinate geometry to four Dy and six Ga atoms. There are two shorter (2.56 Å) and four longer (2.61 Å) Ir–Ga bond lengths. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 9-coordinate geometry to three Dy, three Ir, and three equivalent Ga atoms. There are two shorter (2.67 Å) and one longer (2.69 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 1-coordinate geometry to four Dy, one Ir, and four Ga atoms. The Ga–Ga bond length is 2.54 Å.

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Materials Data on Dy6Al43V4 by Materials Project

Dy6V4Al43 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. Dy is bonded in a 6-coordinate geometry to one Dy, one V, and fifteen Al atoms. The Dy–Dy bond length is 3.45 Å. The Dy–V bond length is 3.51 Å. There are a spread of Dy–Al bond distances ranging from 3.06–3.48 Å. There are two inequivalent V sites. In the first V site, V is bonded to twelve Al atoms to form VAl12 cuboctahedra that share corners with six equivalent VDy2Al10 cuboctahedra and edges with six equivalent AlAl10V2 cuboctahedra. There are six shorter (2.67 Å) and six longer (2.83 Å) V–Al bond lengths. In the second V site, V is bonded to two equivalent Dy and ten Al atoms to form distorted VDy2Al10 cuboctahedra that share corners with four VAl12 cuboctahedra, an edgeedge with one AlAl10V2 cuboctahedra, and faces with six AlAl10V2 cuboctahedra. There are a spread of V–Al bond distances ranging from 2.57–2.69 Å. There are seven inequivalent Al sites. In the first Al site, Al is bonded in a 12-coordinate geometry to four equivalent Dy and eight Al atoms. There are a spread of Al–Al bond distances ranging from 2.73–3.11 Å. In the second Al site, Al is bonded in a 12-coordinate geometry to two equivalent Dy, one V, and nine Al atoms. There are a spread of Al–Al bond distances ranging from 2.74–3.00 Å. In the third Al site, Al is bonded in a 10-coordinate geometry to two equivalent Dy, one V, and seven Al atoms. There are one shorter (2.79 Å) and two longer (2.82 Å) Al–Al bond lengths. In the fourth Al site, Al is bonded to two equivalent V and ten Al atoms to form distorted AlAl10V2 cuboctahedra that share corners with four equivalent AlDy3Al9 cuboctahedra, edges with three VAl12 cuboctahedra, faces with two equivalent VDy2Al10 cuboctahedra, and faces with two equivalent AlAl10V2 cuboctahedra. There are two shorter (2.76 Å) and four longer (2.89 Å) Al–Al bond lengths. In the fifth Al site, Al is bonded to three equivalent Dy and nine Al atoms to form AlDy3Al9 cuboctahedra that share corners with six AlAl10V2 cuboctahedra, faces with two equivalent AlDy3Al9 cuboctahedra, and faces with three equivalent VDy2Al10 cuboctahedra. In the sixth Al site, Al is bonded in a 12-coordinate geometry to one Dy, two V, and nine Al atoms. There are a spread of Al–Al bond distances ranging from 2.79–2.96 Å. In the seventh Al site, Al is bonded in a 12-coordinate geometry to two equivalent Dy, one V, and nine Al atoms. Both Al–Al bond lengths are 2.98 Å.

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Materials Data on DyGe2Ir by Materials Project

DyIrGe2 crystallizes in the orthorhombic Immm 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 equivalent Ir and ten Ge atoms. All Dy–Ir bond lengths are 3.18 Å. There are a spread of Dy–Ge bond distances ranging from 3.27–3.40 Å. In the second Dy site, Dy is bonded in a 8-coordinate geometry to six equivalent Ir and nine Ge atoms. There are four shorter (3.24 Å) and two longer (3.27 Å) Dy–Ir bond lengths. There are a spread of Dy–Ge bond distances ranging from 2.95–3.48 Å. Ir is bonded in a 10-coordinate geometry to five Dy and five Ge atoms. There are a spread of Ir–Ge bond distances ranging from 2.47–2.62 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 2-coordinate geometry to five Dy and two equivalent Ir atoms. In the second Ge site, Ge is bonded in a 9-coordinate geometry to six Dy, two equivalent Ir, and one Ge atom. The Ge–Ge bond length is 2.48 Å. In the third Ge site, Ge is bonded in a 8-coordinate geometry to four Dy, three equivalent Ir, and one Ge atom. The Ge–Ge bond length is 2.72 Å.

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Materials Data on Dy2Ga3Cu by Materials Project

Dy2CuGa3 is Tungsten boride-derived structured and crystallizes in the trigonal P3m1 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 three equivalent Cu and nine Ga atoms. All Dy–Cu bond lengths are 2.89 Å. There are a spread of Dy–Ga bond distances ranging from 2.98–3.39 Å. In the second Dy site, Dy is bonded in a 12-coordinate geometry to three equivalent Cu and nine Ga atoms. All Dy–Cu bond lengths are 3.21 Å. There are six shorter (2.96 Å) and three longer (3.37 Å) Dy–Ga bond lengths. Cu is bonded in a 10-coordinate geometry to six Dy and four Ga atoms. There are three shorter (2.56 Å) and one longer (2.98 Å) Cu–Ga bond lengths. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded in a 9-coordinate geometry to six Dy, three equivalent Cu, and one Ga atom. The Ga–Ga bond length is 3.09 Å. In the second Ga site, Ga is bonded in a 10-coordinate geometry to six Dy and four Ga atoms. All Ga–Ga bond lengths are 2.61 Å. In the third Ga site, Ga is bonded in a 10-coordinate geometry to six Dy, one Cu, and three equivalent Ga atoms.

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Materials Data on Dy3(AgSn)4 by Materials Project

Dy3Ag4Sn4 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Dy sites. In the first Dy site, Dy is bonded to eight equivalent Ag and six Sn atoms to form distorted face-sharing DyAg8Sn6 octahedra. All Dy–Ag bond lengths are 3.78 Å. There are four shorter (3.21 Å) and two longer (3.31 Å) Dy–Sn bond lengths. In the second Dy site, Dy is bonded in a 12-coordinate geometry to six equivalent Ag and six Sn atoms. There are four shorter (3.27 Å) and two longer (3.42 Å) Dy–Ag bond lengths. There are two shorter (3.32 Å) and four longer (3.34 Å) Dy–Sn bond lengths. Ag is bonded in a 12-coordinate geometry to five Dy, three equivalent Ag, and four Sn atoms. There are one shorter (2.93 Å) and two longer (3.42 Å) Ag–Ag bond lengths. There are a spread of Ag–Sn bond distances ranging from 2.74–2.83 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 9-coordinate geometry to three Dy and six equivalent Ag atoms. In the second Sn site, Sn is bonded in a 9-coordinate geometry to six Dy, two equivalent Ag, and one Sn atom. The Sn–Sn bond length is 2.91 Å.

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Materials Data on Dy2Tl by Materials Project

Dy2Tl 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 6-coordinate geometry to eight Dy and six equivalent Tl atoms. There are two shorter (3.37 Å) and six longer (3.55 Å) Dy–Dy bond lengths. All Dy–Tl bond lengths are 3.55 Å. In the second Dy site, Dy is bonded to six equivalent Dy and five equivalent Tl atoms to form a mixture of distorted corner and face-sharing DyDy6Tl5 trigonal bipyramids. There are three shorter (3.13 Å) and two longer (3.37 Å) Dy–Tl bond lengths. Tl is bonded in a 11-coordinate geometry to eleven Dy atoms.

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Materials Data on Dy3Ni13B2 by Materials Project

Dy3Ni13B2 crystallizes in the hexagonal P6/mmm 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 twelve equivalent Ni and six equivalent B atoms. All Dy–Ni bond lengths are 2.86 Å. All Dy–B bond lengths are 2.85 Å. In the second Dy site, Dy is bonded in a 6-coordinate geometry to eighteen Ni atoms. There are a spread of Dy–Ni bond distances ranging from 2.85–3.25 Å. There are three inequivalent Ni sites. In the first Ni site, Ni is bonded to four equivalent Dy and eight Ni atoms to form a mixture of corner, edge, and face-sharing NiDy4Ni8 cuboctahedra. There are four shorter (2.43 Å) and four longer (2.46 Å) Ni–Ni bond lengths. In the second Ni site, Ni is bonded in a 12-coordinate geometry to three equivalent Dy and nine Ni atoms. There are three shorter (2.47 Å) and three longer (2.85 Å) Ni–Ni bond lengths. In the third Ni site, Ni is bonded in a distorted L-shaped geometry to four Dy, two equivalent Ni, and two equivalent B atoms. Both Ni–B bond lengths are 2.04 Å. B is bonded in a 6-coordinate geometry to three equivalent Dy and six equivalent Ni atoms.

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Materials Data on DyGa3Ni2 by Materials Project

DyNi2Ga3 crystallizes in the hexagonal P6/mmm 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 Ni and twelve Ga atoms. All Dy–Ni bond lengths are 3.10 Å. There are six shorter (3.20 Å) and six longer (3.30 Å) Dy–Ga bond lengths. In the second Dy site, Dy is bonded in a distorted hexagonal planar geometry to six equivalent Ni and twelve equivalent Ga atoms. All Dy–Ni bond lengths are 2.86 Å. All Dy–Ga bond lengths are 3.32 Å. Ni is bonded in a 9-coordinate geometry to three Dy and six Ga atoms. There are two shorter (2.48 Å) and four longer (2.49 Å) Ni–Ga bond lengths. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 12-coordinate geometry to four Dy, four equivalent Ni, and four Ga atoms. There are two shorter (2.63 Å) and two longer (2.76 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded to four equivalent Dy, four equivalent Ni, and four equivalent Ga atoms to form a mixture of distorted face and corner-sharing GaDy4Ga4Ni4 cuboctahedra.

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