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DOE OSTI2020

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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Materials Data on Dy12C6I17 by Materials Project

Dy12(C2)3I17 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are six inequivalent Dy3+ sites. In the first Dy3+ site, Dy3+ is bonded to four C+3.17- and four I1- atoms to form distorted DyC4I4 hexagonal bipyramids that share a cornercorner with one DyC4I4 hexagonal bipyramid, an edgeedge with one DyC4I4 hexagonal bipyramid, edges with four DyCI5 octahedra, and a faceface with one DyC2I4 octahedra. There are a spread of Dy–C bond distances ranging from 2.53–2.79 Å. There are a spread of Dy–I bond distances ranging from 3.05–3.69 Å. In the second Dy3+ site, Dy3+ is bonded in a 1-coordinate geometry to three C+3.17- and four I1- atoms. There are a spread of Dy–C bond distances ranging from 2.26–2.59 Å. There are a spread of Dy–I bond distances ranging from 3.11–3.38 Å. In the third Dy3+ site, Dy3+ is bonded to one C+3.17- and five I1- atoms to form distorted DyCI5 octahedra that share corners with two DyCI5 octahedra, edges with two equivalent DyC4I4 hexagonal bipyramids, and edges with two DyCI5 octahedra. The corner-sharing octahedra tilt angles range from 0–2°. The Dy–C bond length is 2.21 Å. There are a spread of Dy–I bond distances ranging from 3.04–3.33 Å. In the fourth Dy3+ site, Dy3+ is bonded to two C+3.17- and four I1- atoms to form distorted DyC2I4 octahedra that share a cornercorner with one DyCI5 octahedra, edges with two DyCI5 octahedra, and a faceface with one DyC4I4 hexagonal bipyramid. The corner-sharing octahedral tilt angles are 71°. There are one shorter (2.41 Å) and one longer (2.44 Å) Dy–C bond lengths. There are a spread of Dy–I bond distances ranging from 2.93–3.13 Å. In the fifth Dy3+ site, Dy3+ is bonded in a 8-coordinate geometry to four C+3.17- and four I1- atoms. There are a spread of Dy–C bond distances ranging from 2.55–2.75 Å. There are a spread of Dy–I bond distances ranging from 3.20–3.25 Å. In the sixth Dy3+ site, Dy3+ is bonded to one C+3.17- and five I1- atoms to form distorted DyCI5 octahedra that share corners with two DyCI5 octahedra, edges with two equivalent DyC4I4 hexagonal bipyramids, and an edgeedge with one DyC2I4 octahedra. The corner-sharing octahedra tilt angles range from 2–71°. The Dy–C bond length is 2.19 Å. There are a spread of Dy–I bond distances ranging from 3.05–3.37 Å. There are three inequivalent C+3.17- sites. In the first C+3.17- site, C+3.17- is bonded in a 6-coordinate geometry to five Dy3+ and one C+3.17- atom. The C–C bond length is 1.41 Å. In the second C+3.17- site, C+3.17- is bonded in a 6-coordinate geometry to five Dy3+ and one C+3.17- atom. The C–C bond length is 1.43 Å. In the third C+3.17- site, C+3.17- is bonded in a 6-coordinate geometry to five Dy3+ and one C+3.17- atom. There are nine inequivalent I1- sites. In the first I1- site, I1- is bonded in a distorted rectangular see-saw-like geometry to four Dy3+ atoms. In the second I1- site, I1- is bonded in a 3-coordinate geometry to three Dy3+ atoms. In the third I1- site, I1- is bonded in a 2-coordinate geometry to two Dy3+ atoms. In the fourth I1- site, I1- is bonded in a 3-coordinate geometry to three Dy3+ atoms. In the fifth I1- site, I1- is bonded in a distorted T-shaped geometry to three Dy3+ atoms. In the sixth I1- site, I1- is bonded in a 3-coordinate geometry to three Dy3+ atoms. In the seventh I1- site, I1- is bonded in a 3-coordinate geometry to three Dy3+ atoms. In the eighth I1- site, I1- is bonded in a distorted linear geometry to four Dy3+ atoms. In the ninth I1- site, I1- is bonded in a 3-coordinate geometry to three Dy3+ atoms.

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Materials Data on Dy2Sn5 by Materials Project

Dy2Sn5 crystallizes in the orthorhombic Pmmn 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 Sn atoms. There are a spread of Dy–Sn bond distances ranging from 3.17–3.43 Å. In the second Dy site, Dy is bonded in a 10-coordinate geometry to ten Sn atoms. There are a spread of Dy–Sn bond distances ranging from 3.20–3.56 Å. There are five inequivalent Sn sites. In the first Sn site, Sn is bonded in a 8-coordinate geometry to six Dy and two equivalent Sn atoms. Both Sn–Sn bond lengths are 3.02 Å. In the second Sn site, Sn is bonded in a 7-coordinate geometry to two equivalent Dy and five equivalent Sn atoms. There are one shorter (2.91 Å) and four longer (3.12 Å) Sn–Sn bond lengths. In the third Sn site, Sn is bonded in a 4-coordinate geometry to six Dy and two equivalent Sn atoms. In the fourth Sn site, Sn is bonded in a 7-coordinate geometry to two equivalent Dy and five equivalent Sn atoms. In the fifth Sn site, Sn is bonded in a 8-coordinate geometry to four equivalent Dy and four equivalent Sn atoms. All Sn–Sn bond lengths are 3.12 Å.

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Materials Data on Dy5In3 by Materials Project

Dy5In3 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 6-coordinate geometry to six In atoms. There are a spread of Dy–In bond distances ranging from 3.22–3.47 Å. In the second Dy site, Dy is bonded in a 6-coordinate geometry to two equivalent Dy and four equivalent In atoms. Both Dy–Dy bond lengths are 3.00 Å. All Dy–In bond lengths are 3.18 Å. There are two inequivalent In sites. In the first In site, In is bonded in a 10-coordinate geometry to ten Dy atoms. In the second In site, In is bonded in a 10-coordinate geometry to eight equivalent Dy and two equivalent In atoms. Both In–In bond lengths are 3.00 Å.

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Materials Data on Dy3Al2 by Materials Project

Dy3Al2 crystallizes in the tetragonal P4_2nm space group. The structure is three-dimensional. there are three inequivalent Dy sites. In the first Dy site, Dy is bonded in a distorted square co-planar geometry to four Al atoms. All Dy–Al bond lengths are 3.30 Å. In the second Dy site, Dy is bonded in a 6-coordinate geometry to six Al atoms. There are a spread of Dy–Al bond distances ranging from 3.07–3.22 Å. In the third Dy site, Dy is bonded in a 6-coordinate geometry to six Al atoms. There are a spread of Dy–Al bond distances ranging from 3.10–3.12 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 Al atoms. There are one shorter (2.78 Å) and one longer (2.92 Å) Al–Al bond lengths. In the second Al site, Al is bonded in a 10-coordinate geometry to eight Dy and two Al atoms. The Al–Al bond length is 2.76 Å.

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Materials Data on Dy3Ni2 by Materials Project

Dy3Ni2 crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of one Dy3Ni2 sheet oriented in the (0, 0, 1) direction. there are three inequivalent Dy sites. In the first Dy site, Dy is bonded in a 4-coordinate geometry to four Ni atoms. There are two shorter (2.80 Å) and two longer (2.88 Å) Dy–Ni bond lengths. In the second Dy site, Dy is bonded in a distorted trigonal non-coplanar geometry to three Ni atoms. There are two shorter (2.77 Å) and one longer (2.78 Å) Dy–Ni bond lengths. In the third Dy site, Dy is bonded in a 7-coordinate geometry to seven Ni atoms. There are a spread of Dy–Ni bond distances ranging from 2.81–3.03 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 7-coordinate geometry to seven Dy and one Ni atom. The Ni–Ni bond length is 2.68 Å. In the second Ni site, Ni is bonded in a 9-coordinate geometry to seven Dy and two Ni atoms. The Ni–Ni bond length is 2.66 Å.

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Materials Data on Dy3Fe2Si3 by Materials Project

Dy3Fe2Si3 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 four equivalent Fe and seven Si atoms. There are a spread of Dy–Fe bond distances ranging from 2.98–3.15 Å. There are a spread of Dy–Si bond distances ranging from 2.94–3.25 Å. In the second Dy site, Dy is bonded in a 4-coordinate geometry to four equivalent Fe and five Si atoms. All Dy–Fe bond lengths are 3.19 Å. There are a spread of Dy–Si bond distances ranging from 2.85–3.29 Å. Fe is bonded in a 10-coordinate geometry to six Dy and four Si atoms. There are a spread of Fe–Si bond distances ranging from 2.31–2.57 Å. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 10-coordinate geometry to six Dy, three equivalent Fe, and one Si atom. The Si–Si bond length is 2.87 Å. In the second Si site, Si is bonded in a 9-coordinate geometry to seven Dy and two equivalent Fe atoms.

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Materials Data on SmDy3 by Materials Project

Dy3Sm is Magnesium-derived structured and 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 eight Dy and four equivalent Sm atoms to form DySm4Dy8 cuboctahedra that share corners with four equivalent SmDy12 cuboctahedra, corners with fourteen DySm4Dy8 cuboctahedra, edges with six equivalent SmDy12 cuboctahedra, edges with twelve DySm4Dy8 cuboctahedra, faces with four equivalent SmDy12 cuboctahedra, and faces with sixteen DySm4Dy8 cuboctahedra. There are a spread of Dy–Dy bond distances ranging from 3.53–3.65 Å. There are two shorter (3.54 Å) and two longer (3.63 Å) Dy–Sm bond lengths. In the second Dy site, Dy is bonded to eight equivalent Dy and four equivalent Sm atoms to form DySm4Dy8 cuboctahedra that share corners with four equivalent SmDy12 cuboctahedra, corners with fourteen DySm4Dy8 cuboctahedra, edges with six equivalent SmDy12 cuboctahedra, edges with twelve equivalent DySm4Dy8 cuboctahedra, faces with four equivalent SmDy12 cuboctahedra, and faces with sixteen DySm4Dy8 cuboctahedra. There are two shorter (3.54 Å) and two longer (3.63 Å) Dy–Sm bond lengths. Sm is bonded to twelve Dy atoms to form SmDy12 cuboctahedra that share corners with six equivalent SmDy12 cuboctahedra, corners with twelve DySm4Dy8 cuboctahedra, edges with eighteen DySm4Dy8 cuboctahedra, faces with eight equivalent SmDy12 cuboctahedra, and faces with twelve DySm4Dy8 cuboctahedra.

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Materials Data on PmDy3 by Materials Project

Dy3Pm is alpha La-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Dy sites. In the first Dy site, Dy is bonded to eight Dy and four equivalent Pm atoms to form DyPm4Dy8 cuboctahedra that share corners with twelve equivalent DyPm4Dy8 cuboctahedra, edges with eight equivalent PmDy12 cuboctahedra, edges with sixteen DyPm4Dy8 cuboctahedra, faces with four equivalent PmDy12 cuboctahedra, and faces with fourteen DyPm4Dy8 cuboctahedra. All Dy–Dy bond lengths are 3.58 Å. All Dy–Pm bond lengths are 3.58 Å. In the second Dy site, Dy is bonded to eight equivalent Dy and four equivalent Pm atoms to form DyPm4Dy8 cuboctahedra that share corners with four equivalent DyPm4Dy8 cuboctahedra, corners with eight equivalent PmDy12 cuboctahedra, edges with twenty-four DyPm4Dy8 cuboctahedra, faces with six equivalent PmDy12 cuboctahedra, and faces with twelve DyPm4Dy8 cuboctahedra. All Dy–Pm bond lengths are 3.58 Å. Pm is bonded to twelve Dy atoms to form PmDy12 cuboctahedra that share corners with four equivalent PmDy12 cuboctahedra, corners with eight equivalent DyPm4Dy8 cuboctahedra, edges with eight equivalent PmDy12 cuboctahedra, edges with sixteen equivalent DyPm4Dy8 cuboctahedra, faces with four equivalent PmDy12 cuboctahedra, and faces with fourteen DyPm4Dy8 cuboctahedra.

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