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DOE OSTI2020

Materials Data on DyCd2 by Materials Project

DyCd2 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Dy is bonded to two equivalent Dy and twelve equivalent Cd atoms to form a mixture of distorted corner, edge, and face-sharing DyDy2Cd12 cuboctahedra. Both Dy–Dy bond lengths are 3.45 Å. All Dy–Cd bond lengths are 3.35 Å. Cd is bonded in a 11-coordinate geometry to six equivalent Dy and five equivalent Cd atoms. There are three shorter (2.87 Å) and two longer (3.45 Å) Cd–Cd bond lengths.

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Materials Data on DyTlPd by Materials Project

DyPdTl crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Dy is bonded in a 11-coordinate geometry to five Pd and six equivalent Tl atoms. There are four shorter (3.06 Å) and one longer (3.16 Å) Dy–Pd bond lengths. There are two shorter (3.22 Å) and four longer (3.37 Å) Dy–Tl bond lengths. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 9-coordinate geometry to three equivalent Dy and six equivalent Tl atoms. All Pd–Tl bond lengths are 2.84 Å. In the second Pd site, Pd is bonded in a 9-coordinate geometry to six equivalent Dy and three equivalent Tl atoms. All Pd–Tl bond lengths are 2.92 Å. Tl is bonded in a 10-coordinate geometry to six equivalent Dy and four Pd atoms.

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Materials Data on Dy3Si3O10F by Materials Project

Dy3Si3O10F crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are three inequivalent Dy3+ sites. In the first Dy3+ site, Dy3+ is bonded in a 7-coordinate geometry to six O2- and one F1- atom. There are a spread of Dy–O bond distances ranging from 2.30–2.58 Å. The Dy–F bond length is 2.26 Å. In the second Dy3+ site, Dy3+ is bonded to six O2- and one F1- atom to form DyO6F pentagonal bipyramids that share corners with six SiO4 tetrahedra. There are a spread of Dy–O bond distances ranging from 2.24–2.48 Å. The Dy–F bond length is 2.39 Å. In the third Dy3+ site, Dy3+ is bonded in a 6-coordinate geometry to five O2- and one F1- atom. There are a spread of Dy–O bond distances ranging from 2.26–2.41 Å. The Dy–F bond length is 2.30 Å. There are three inequivalent Si4+ sites. In the first Si4+ site, Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with two equivalent DyO6F pentagonal bipyramids and a cornercorner with one SiO4 tetrahedra. There are a spread of Si–O bond distances ranging from 1.64–1.68 Å. In the second Si4+ site, Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with two equivalent DyO6F pentagonal bipyramids and corners with two SiO4 tetrahedra. There is two shorter (1.63 Å) and two longer (1.66 Å) Si–O bond length. In the third Si4+ site, Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with two equivalent DyO6F pentagonal bipyramids and a cornercorner with one SiO4 tetrahedra. There are a spread of Si–O bond distances ranging from 1.63–1.67 Å. There are ten inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two Dy3+ and one Si4+ atom. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two Si4+ atoms. In the third O2- site, O2- is bonded in a 3-coordinate geometry to two Dy3+ and one Si4+ atom. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to two Dy3+ and one Si4+ atom. In the fifth O2- site, O2- is bonded in a distorted trigonal planar geometry to two Dy3+ and one Si4+ atom. In the sixth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two Si4+ atoms. In the seventh O2- site, O2- is bonded in a 1-coordinate geometry to three Dy3+ and one Si4+ atom. In the eighth O2- site, O2- is bonded in a 3-coordinate geometry to two Dy3+ and one Si4+ atom. In the ninth O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Dy3+ and one Si4+ atom. In the tenth O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Dy3+ and one Si4+ atom. F1- is bonded in a 3-coordinate geometry to three Dy3+ atoms.

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Materials Data on DyCoSn2 by Materials Project

DyCoSn2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Dy is bonded in a 12-coordinate geometry to four equivalent Co and ten Sn atoms. All Dy–Co bond lengths are 3.31 Å. There are a spread of Dy–Sn bond distances ranging from 3.29–3.73 Å. Co is bonded in a 9-coordinate geometry to four equivalent Dy and five Sn atoms. There are a spread of Co–Sn bond distances ranging from 2.42–2.57 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 12-coordinate geometry to four equivalent Dy and four equivalent Co atoms. In the second Sn site, Sn is bonded in a 1-coordinate geometry to six equivalent Dy, one Co, and two equivalent Sn atoms. Both Sn–Sn bond lengths are 2.84 Å.

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Materials Data on DyAgGe by Materials Project

DyAgGe crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Dy is bonded in a 11-coordinate geometry to five Ag and six equivalent Ge atoms. There are one shorter (2.92 Å) and four longer (3.06 Å) Dy–Ag bond lengths. There are two shorter (3.23 Å) and four longer (3.30 Å) Dy–Ge bond lengths. There are two inequivalent Ag sites. In the first Ag site, Ag is bonded in a 9-coordinate geometry to six equivalent Dy and three equivalent Ge atoms. All Ag–Ge bond lengths are 2.74 Å. In the second Ag site, Ag is bonded in a 9-coordinate geometry to three equivalent Dy and six equivalent Ge atoms. All Ag–Ge bond lengths are 2.85 Å. Ge is bonded in a distorted q6 geometry to six equivalent Dy and four Ag atoms.

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Materials Data on DyInAu by Materials Project

DyAuIn crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Dy is bonded in a 11-coordinate geometry to five Au and six equivalent In atoms. There are four shorter (3.10 Å) and one longer (3.14 Å) Dy–Au bond lengths. There are two shorter (3.28 Å) and four longer (3.42 Å) Dy–In bond lengths. There are two inequivalent Au sites. In the first Au site, Au is bonded in a 9-coordinate geometry to three equivalent Dy and six equivalent In atoms. All Au–In bond lengths are 2.85 Å. In the second Au site, Au is bonded in a 9-coordinate geometry to six equivalent Dy and three equivalent In atoms. All Au–In bond lengths are 2.91 Å. In is bonded in a 4-coordinate geometry to six equivalent Dy and four Au atoms.

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Materials Data on DyInPt by Materials Project

DyPtIn crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Dy is bonded in a 11-coordinate geometry to five Pt and six equivalent In atoms. There are four shorter (3.03 Å) and one longer (3.12 Å) Dy–Pt bond lengths. There are two shorter (3.21 Å) and four longer (3.35 Å) Dy–In bond lengths. There are two inequivalent Pt sites. In the first Pt site, Pt is bonded in a 9-coordinate geometry to three equivalent Dy and six equivalent In atoms. All Pt–In bond lengths are 2.79 Å. In the second Pt site, Pt is bonded in a 9-coordinate geometry to six equivalent Dy and three equivalent In atoms. All Pt–In bond lengths are 2.88 Å. In is bonded in a 10-coordinate geometry to six equivalent Dy and four Pt atoms.

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Materials Data on Dy2(Ga3Ru)3 by Materials Project

Dy2(RuGa3)3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Dy is bonded in a 11-coordinate geometry to eleven Ga atoms. There are a spread of Dy–Ga bond distances ranging from 3.03–3.18 Å. There are two inequivalent Ru sites. In the first Ru site, Ru is bonded in a 12-coordinate geometry to eight Ga atoms. There are four shorter (2.61 Å) and four longer (2.63 Å) Ru–Ga bond lengths. In the second Ru site, Ru is bonded in a 8-coordinate geometry to eight Ga atoms. There are a spread of Ru–Ga bond distances ranging from 2.55–2.65 Å. There are four inequivalent Ga sites. In the first Ga site, Ga is bonded in a 10-coordinate geometry to two equivalent Dy, two equivalent Ru, and six Ga atoms. There are four shorter (2.72 Å) and two longer (2.76 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 10-coordinate geometry to two equivalent Dy, three Ru, and five Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.74–2.82 Å. In the third Ga site, Ga is bonded in a 10-coordinate geometry to two equivalent Dy, two equivalent Ru, and six Ga atoms. There are two shorter (2.77 Å) and one longer (2.78 Å) Ga–Ga bond lengths. In the fourth Ga site, Ga is bonded in a 3-coordinate geometry to three equivalent Dy, three Ru, and three Ga atoms.

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Materials Data on DyInIr by Materials Project

DyIrIn crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Dy is bonded in a 11-coordinate geometry to five Ir and six equivalent In atoms. There are four shorter (3.03 Å) and one longer (3.05 Å) Dy–Ir bond lengths. There are two shorter (3.22 Å) and four longer (3.33 Å) Dy–In bond lengths. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a 9-coordinate geometry to three equivalent Dy and six equivalent In atoms. All Ir–In bond lengths are 2.77 Å. In the second Ir site, Ir is bonded in a 9-coordinate geometry to six equivalent Dy and three equivalent In atoms. All Ir–In bond lengths are 2.84 Å. In is bonded in a 10-coordinate geometry to six equivalent Dy and four Ir atoms.

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Materials Data on DyMn2 by Materials Project

DyMn2 is Cubic Laves structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Dy is bonded in a 12-coordinate geometry to four equivalent Dy and twelve equivalent Mn atoms. All Dy–Dy bond lengths are 3.13 Å. All Dy–Mn bond lengths are 2.99 Å. Mn is bonded to six equivalent Dy and six equivalent Mn atoms to form a mixture of face, edge, and corner-sharing MnDy6Mn6 cuboctahedra. All Mn–Mn bond lengths are 2.55 Å.

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Materials Data on DyBiRh by Materials Project

DyRhBi crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Dy is bonded in a 11-coordinate geometry to five Rh and six equivalent Bi atoms. There are one shorter (3.07 Å) and four longer (3.08 Å) Dy–Rh bond lengths. There are two shorter (3.26 Å) and four longer (3.36 Å) Dy–Bi bond lengths. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 9-coordinate geometry to six equivalent Dy and three equivalent Bi atoms. All Rh–Bi bond lengths are 2.86 Å. In the second Rh site, Rh is bonded in a 9-coordinate geometry to three equivalent Dy and six equivalent Bi atoms. All Rh–Bi bond lengths are 2.85 Å. Bi is bonded in a 10-coordinate geometry to six equivalent Dy and four Rh atoms.

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Materials Data on DyAlNi by Materials Project

NiAlDy crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Dy is bonded in a 5-coordinate geometry to five Ni and six equivalent Al atoms. There are four shorter (2.86 Å) and one longer (2.89 Å) Dy–Ni bond lengths. There are two shorter (3.11 Å) and four longer (3.18 Å) Dy–Al bond lengths. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 9-coordinate geometry to three equivalent Dy and six equivalent Al atoms. All Ni–Al bond lengths are 2.55 Å. In the second Ni site, Ni is bonded in a 9-coordinate geometry to six equivalent Dy and three equivalent Al atoms. All Ni–Al bond lengths are 2.72 Å. Al is bonded in a 12-coordinate geometry to six equivalent Dy, four Ni, and two equivalent Al atoms. Both Al–Al bond lengths are 2.82 Å.

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Materials Data on Dy2Zn17 by Materials Project

Dy2Zn17 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Dy is bonded in a 10-coordinate geometry to nineteen Zn atoms. There are a spread of Dy–Zn bond distances ranging from 3.11–3.46 Å. There are four inequivalent Zn sites. In the first Zn site, Zn is bonded to three equivalent Dy and nine Zn atoms to form distorted ZnDy3Zn9 cuboctahedra that share corners with twenty-three ZnDy2Zn10 cuboctahedra, edges with ten ZnDy2Zn10 cuboctahedra, and faces with twenty ZnDy3Zn9 cuboctahedra. There are a spread of Zn–Zn bond distances ranging from 2.54–2.87 Å. In the second Zn site, Zn is bonded in a 2-coordinate geometry to one Dy and thirteen Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.64–2.98 Å. In the third Zn site, Zn is bonded to two equivalent Dy and ten Zn atoms to form ZnDy2Zn10 cuboctahedra that share corners with twenty-two ZnDy2Zn10 cuboctahedra, edges with ten ZnDy2Zn10 cuboctahedra, and faces with eighteen ZnDy3Zn9 cuboctahedra. All Zn–Zn bond lengths are 2.59 Å. In the fourth Zn site, Zn is bonded to two equivalent Dy and ten Zn atoms to form distorted ZnDy2Zn10 cuboctahedra that share corners with twenty-four ZnDy2Zn10 cuboctahedra, edges with five ZnDy2Zn10 cuboctahedra, and faces with twenty-one ZnDy3Zn9 cuboctahedra. Both Zn–Zn bond lengths are 2.67 Å.

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Materials Data on Dy2Al3Si2 by Materials Project

Dy2Al3Si2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Dy is bonded in a 12-coordinate geometry to six Al and five equivalent Si atoms. There are a spread of Dy–Al bond distances ranging from 3.02–3.25 Å. There are a spread of Dy–Si bond distances ranging from 2.89–3.01 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded in a distorted water-like geometry to four equivalent Dy and two equivalent Si atoms. Both Al–Si bond lengths are 2.61 Å. In the second Al site, Al is bonded in a 6-coordinate geometry to four equivalent Dy and two equivalent Si atoms. Both Al–Si bond lengths are 2.73 Å. Si is bonded in a 9-coordinate geometry to five equivalent Dy, three Al, and one Si atom. The Si–Si bond length is 2.38 Å.

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Materials Data on DySi2Ni by Materials Project

DyNiSi2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Dy is bonded in a 4-coordinate geometry to four equivalent Ni and ten Si atoms. All Dy–Ni bond lengths are 3.05 Å. There are a spread of Dy–Si bond distances ranging from 3.01–3.11 Å. Ni is bonded in a 9-coordinate geometry to four equivalent Dy and five Si atoms. There are a spread of Ni–Si bond distances ranging from 2.26–2.33 Å. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 12-coordinate geometry to four equivalent Dy and four equivalent Ni atoms. In the second Si site, Si is bonded in a 9-coordinate geometry to six equivalent Dy, one Ni, and two equivalent Si atoms. Both Si–Si bond lengths are 2.38 Å.

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DOE OSTI2020

Materials Data on YbDy3 by Materials Project

YbDy3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Yb is bonded to twelve equivalent Dy atoms to form YbDy12 cuboctahedra that share corners with twelve equivalent YbDy12 cuboctahedra, edges with twenty-four equivalent DyYb4Dy8 cuboctahedra, faces with six equivalent YbDy12 cuboctahedra, and faces with twelve equivalent DyYb4Dy8 cuboctahedra. All Yb–Dy bond lengths are 3.58 Å. Dy is bonded to four equivalent Yb and eight equivalent Dy atoms to form DyYb4Dy8 cuboctahedra that share corners with twelve equivalent DyYb4Dy8 cuboctahedra, edges with eight equivalent YbDy12 cuboctahedra, edges with sixteen equivalent DyYb4Dy8 cuboctahedra, faces with four equivalent YbDy12 cuboctahedra, and faces with fourteen equivalent DyYb4Dy8 cuboctahedra. All Dy–Dy bond lengths are 3.58 Å.

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Materials Data on DyAl2 by Materials Project

DyAl2 is Cubic Laves structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Dy is bonded in a 12-coordinate geometry to four equivalent Dy and twelve equivalent Al atoms. All Dy–Dy bond lengths are 3.41 Å. All Dy–Al bond lengths are 3.26 Å. Al is bonded to six equivalent Dy and six equivalent Al atoms to form a mixture of corner, edge, and face-sharing AlDy6Al6 cuboctahedra. All Al–Al bond lengths are 2.78 Å.

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Materials Data on Dy3S3N by Materials Project

Dy3NS3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent Dy3+ sites. In the first Dy3+ site, Dy3+ is bonded in a 1-coordinate geometry to one N3- and six S2- atoms. The Dy–N bond length is 2.25 Å. There are a spread of Dy–S bond distances ranging from 2.72–3.06 Å. In the second Dy3+ site, Dy3+ is bonded to one N3- and five S2- atoms to form distorted edge-sharing DyS5N octahedra. The Dy–N bond length is 2.18 Å. There are a spread of Dy–S bond distances ranging from 2.74–3.00 Å. In the third Dy3+ site, Dy3+ is bonded in a 2-coordinate geometry to two equivalent N3- and four S2- atoms. Both Dy–N bond lengths are 2.28 Å. There are a spread of Dy–S bond distances ranging from 2.76–2.93 Å. N3- is bonded to four Dy3+ atoms to form NDy4 tetrahedra that share corners with two equivalent SDy5 square pyramids, corners with two equivalent NDy4 tetrahedra, and edges with three equivalent SDy5 square pyramids. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded to five Dy3+ atoms to form distorted SDy5 square pyramids that share corners with two equivalent NDy4 tetrahedra, edges with four equivalent SDy5 square pyramids, and edges with three equivalent NDy4 tetrahedra. In the second S2- site, S2- is bonded in a 5-coordinate geometry to five Dy3+ atoms. In the third S2- site, S2- is bonded in a 5-coordinate geometry to five Dy3+ atoms.

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