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DOE OSTI2020

Materials Data on DyAlZn by Materials Project

DyZnAl is hexagonal omega structure-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Dy is bonded to six equivalent Zn and six equivalent Al atoms to form a mixture of face and edge-sharing DyAl6Zn6 cuboctahedra. All Dy–Zn bond lengths are 3.15 Å. All Dy–Al bond lengths are 3.15 Å. Zn is bonded in a 9-coordinate geometry to six equivalent Dy and three equivalent Al atoms. All Zn–Al bond lengths are 2.59 Å. Al is bonded in a 9-coordinate geometry to six equivalent Dy and three equivalent Zn atoms.

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Materials Data on DyZnGa by Materials Project

DyZnGa is hexagonal omega structure-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Dy is bonded to six equivalent Zn and six equivalent Ga atoms to form a mixture of edge and face-sharing DyZn6Ga6 cuboctahedra. All Dy–Zn bond lengths are 3.12 Å. All Dy–Ga bond lengths are 3.12 Å. Zn is bonded in a 3-coordinate geometry to six equivalent Dy and three equivalent Ga atoms. All Zn–Ga bond lengths are 2.55 Å. Ga is bonded in a 9-coordinate geometry to six equivalent Dy and three equivalent Zn atoms.

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Materials Data on DyTlZn by Materials Project

DyZnTl is hexagonal omega structure-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Dy is bonded to six equivalent Zn and six equivalent Tl atoms to form a mixture of edge and face-sharing DyTl6Zn6 cuboctahedra. All Dy–Zn bond lengths are 3.27 Å. All Dy–Tl bond lengths are 3.27 Å. Zn is bonded in a 9-coordinate geometry to six equivalent Dy and three equivalent Tl atoms. All Zn–Tl bond lengths are 2.72 Å. Tl is bonded in a 9-coordinate geometry to six equivalent Dy and three equivalent Zn atoms.

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Materials Data on DyZnIn by Materials Project

DyZnIn is hexagonal omega structure-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Dy is bonded to six equivalent Zn and six equivalent In atoms to form a mixture of face and edge-sharing DyZn6In6 cuboctahedra. All Dy–Zn bond lengths are 3.26 Å. All Dy–In bond lengths are 3.26 Å. Zn is bonded in a 9-coordinate geometry to six equivalent Dy and three equivalent In atoms. All Zn–In bond lengths are 2.70 Å. In is bonded in a 9-coordinate geometry to six equivalent Dy and three equivalent Zn atoms.

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Materials Data on DyInCo4 by Materials Project

DyCo4In crystallizes in the cubic F-43m space group. The structure is three-dimensional. Dy is bonded in a 12-coordinate geometry to twelve equivalent Co and four equivalent In atoms. All Dy–Co bond lengths are 2.93 Å. All Dy–In bond lengths are 3.05 Å. Co is bonded to three equivalent Dy, six equivalent Co, and three equivalent In atoms to form a mixture of corner, edge, and face-sharing CoDy3In3Co6 cuboctahedra. There are three shorter (2.49 Å) and three longer (2.50 Å) Co–Co bond lengths. All Co–In bond lengths are 2.92 Å. In is bonded in a 4-coordinate geometry to four equivalent Dy and twelve equivalent Co atoms.

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Materials Data on DyGePd2 by Materials Project

DyPd2Ge is delta Molybdenum Boride-derived structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Dy is bonded in a 11-coordinate geometry to eight equivalent Pd and three equivalent Ge atoms. There are a spread of Dy–Pd bond distances ranging from 3.04–3.17 Å. There are a spread of Dy–Ge bond distances ranging from 3.00–3.07 Å. Pd is bonded in a 12-coordinate geometry to four equivalent Dy and three equivalent Ge atoms. There are a spread of Pd–Ge bond distances ranging from 2.54–2.67 Å. Ge is bonded in a 9-coordinate geometry to three equivalent Dy and six equivalent Pd atoms.

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Materials Data on DyU3 by Materials Project

U3Dy is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent U sites. In the first U site, U is bonded to eight U and four equivalent Dy atoms to form UDy4U8 cuboctahedra that share corners with twelve equivalent UDy4U8 cuboctahedra, edges with eight equivalent DyU12 cuboctahedra, edges with sixteen UDy4U8 cuboctahedra, faces with four equivalent DyU12 cuboctahedra, and faces with fourteen UDy4U8 cuboctahedra. There are four shorter (3.11 Å) and four longer (3.24 Å) U–U bond lengths. All U–Dy bond lengths are 3.24 Å. In the second U site, U is bonded to eight equivalent U and four equivalent Dy atoms to form distorted UDy4U8 cuboctahedra that share corners with four equivalent UDy4U8 cuboctahedra, corners with eight equivalent DyU12 cuboctahedra, edges with twenty-four UDy4U8 cuboctahedra, faces with six equivalent DyU12 cuboctahedra, and faces with twelve UDy4U8 cuboctahedra. All U–Dy bond lengths are 3.11 Å. Dy is bonded to twelve U atoms to form DyU12 cuboctahedra that share corners with four equivalent DyU12 cuboctahedra, corners with eight equivalent UDy4U8 cuboctahedra, edges with eight equivalent DyU12 cuboctahedra, edges with sixteen equivalent UDy4U8 cuboctahedra, faces with four equivalent DyU12 cuboctahedra, and faces with fourteen UDy4U8 cuboctahedra.

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Materials Data on Ac3Dy by Materials Project

Ac3Dy is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Ac sites. In the first Ac site, Ac is bonded to eight Ac and four equivalent Dy atoms to form AcAc8Dy4 cuboctahedra that share corners with twelve equivalent AcAc8Dy4 cuboctahedra, edges with eight equivalent DyAc12 cuboctahedra, edges with sixteen AcAc8Dy4 cuboctahedra, faces with four equivalent DyAc12 cuboctahedra, and faces with fourteen AcAc8Dy4 cuboctahedra. There are four shorter (3.89 Å) and four longer (3.90 Å) Ac–Ac bond lengths. All Ac–Dy bond lengths are 3.89 Å. In the second Ac site, Ac is bonded to eight equivalent Ac and four equivalent Dy atoms to form AcAc8Dy4 cuboctahedra that share corners with four equivalent AcAc8Dy4 cuboctahedra, corners with eight equivalent DyAc12 cuboctahedra, edges with twenty-four AcAc8Dy4 cuboctahedra, faces with six equivalent DyAc12 cuboctahedra, and faces with twelve AcAc8Dy4 cuboctahedra. All Ac–Dy bond lengths are 3.90 Å. Dy is bonded to twelve Ac atoms to form DyAc12 cuboctahedra that share corners with four equivalent DyAc12 cuboctahedra, corners with eight equivalent AcAc8Dy4 cuboctahedra, edges with eight equivalent DyAc12 cuboctahedra, edges with sixteen equivalent AcAc8Dy4 cuboctahedra, faces with four equivalent DyAc12 cuboctahedra, and faces with fourteen AcAc8Dy4 cuboctahedra.

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Materials Data on DyAlCu by Materials Project

DyCuAl crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Dy is bonded in a 12-coordinate geometry to six equivalent Cu and six equivalent Al atoms. There are two shorter (3.10 Å) and four longer (3.18 Å) Dy–Cu bond lengths. There are two shorter (3.13 Å) and four longer (3.17 Å) Dy–Al bond lengths. Cu is bonded to six equivalent Dy, two equivalent Cu, and four equivalent Al atoms to form CuDy6Al4Cu2 cuboctahedra that share corners with eight equivalent AlDy6Al2Cu4 cuboctahedra, corners with ten equivalent CuDy6Al4Cu2 cuboctahedra, edges with six equivalent CuDy6Al4Cu2 cuboctahedra, faces with six equivalent CuDy6Al4Cu2 cuboctahedra, and faces with twelve equivalent AlDy6Al2Cu4 cuboctahedra. Both Cu–Cu bond lengths are 2.72 Å. All Cu–Al bond lengths are 2.68 Å. Al is bonded to six equivalent Dy, four equivalent Cu, and two equivalent Al atoms to form AlDy6Al2Cu4 cuboctahedra that share corners with eight equivalent CuDy6Al4Cu2 cuboctahedra, corners with ten equivalent AlDy6Al2Cu4 cuboctahedra, edges with six equivalent AlDy6Al2Cu4 cuboctahedra, faces with six equivalent AlDy6Al2Cu4 cuboctahedra, and faces with twelve equivalent CuDy6Al4Cu2 cuboctahedra. Both Al–Al bond lengths are 2.71 Å.

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Materials Data on Dy2MgCd by Materials Project

MgDy2Cd is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Mg is bonded in a body-centered cubic geometry to eight equivalent Dy atoms. All Mg–Dy bond lengths are 3.26 Å. Dy is bonded in a body-centered cubic geometry to four equivalent Mg and four equivalent Cd atoms. All Dy–Cd bond lengths are 3.26 Å. Cd is bonded in a body-centered cubic geometry to eight equivalent Dy atoms.

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Materials Data on Dy2TlIn by Materials Project

Dy2TlIn is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Dy is bonded in a body-centered cubic geometry to four equivalent Tl and four equivalent In atoms. All Dy–Tl bond lengths are 3.28 Å. All Dy–In bond lengths are 3.28 Å. Tl is bonded in a body-centered cubic geometry to eight equivalent Dy atoms. In is bonded in a body-centered cubic geometry to eight equivalent Dy atoms.

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Materials Data on DyAlAu by Materials Project

DyAuAl crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Dy is bonded in a 5-coordinate geometry to six equivalent Au and six equivalent Al atoms. There are a spread of Dy–Au bond distances ranging from 3.03–3.54 Å. There are a spread of Dy–Al bond distances ranging from 3.14–3.35 Å. Au is bonded in a 9-coordinate geometry to six equivalent Dy and four equivalent Al atoms. There are a spread of Au–Al bond distances ranging from 2.64–2.77 Å. Al is bonded in a 4-coordinate geometry to six equivalent Dy and four equivalent Au atoms.

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Materials Data on DyPd2Pb by Materials Project

DyPd2Pb is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Dy is bonded in a distorted body-centered cubic geometry to eight equivalent Pd and six equivalent Pb atoms. All Dy–Pd bond lengths are 2.99 Å. All Dy–Pb bond lengths are 3.45 Å. Pd is bonded in a body-centered cubic geometry to four equivalent Dy and four equivalent Pb atoms. All Pd–Pb bond lengths are 2.99 Å. Pb is bonded in a 8-coordinate geometry to six equivalent Dy and eight equivalent Pd atoms.

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Materials Data on DyUAl4 by Materials Project

UDyAl4 is Hexagonal Laves-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. U is bonded in a 12-coordinate geometry to four equivalent Dy and twelve equivalent Al atoms. All U–Dy bond lengths are 3.39 Å. All U–Al bond lengths are 3.25 Å. Dy is bonded in a 12-coordinate geometry to four equivalent U and twelve equivalent Al atoms. All Dy–Al bond lengths are 3.25 Å. Al is bonded to three equivalent U, three equivalent Dy, and six equivalent Al atoms to form a mixture of edge, face, and corner-sharing AlDy3U3Al6 cuboctahedra. There are three shorter (2.76 Å) and three longer (2.79 Å) Al–Al bond lengths.

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Materials Data on Dy2CuPt by Materials Project

Dy2PtCu is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Dy is bonded in a body-centered cubic geometry to four equivalent Pt and four equivalent Cu atoms. All Dy–Pt bond lengths are 3.01 Å. All Dy–Cu bond lengths are 3.01 Å. Pt is bonded in a body-centered cubic geometry to eight equivalent Dy atoms. Cu is bonded in a body-centered cubic geometry to eight equivalent Dy atoms.

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Materials Data on Dy4Ge6Ir7 by Materials Project

Dy4Ir7Ge6 crystallizes in the cubic Im-3m space group. The structure is three-dimensional. Dy is bonded to six equivalent Ir and six equivalent Ge atoms to form DyGe6Ir6 cuboctahedra that share corners with twelve equivalent DyGe6Ir6 cuboctahedra, faces with six equivalent DyGe6Ir6 cuboctahedra, and faces with two equivalent IrGe6 octahedra. All Dy–Ir bond lengths are 2.97 Å. All Dy–Ge bond lengths are 3.03 Å. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded to six equivalent Ge atoms to form IrGe6 octahedra that share faces with eight equivalent DyGe6Ir6 cuboctahedra. All Ir–Ge bond lengths are 2.67 Å. In the second Ir site, Ir is bonded in a 12-coordinate geometry to four equivalent Dy and four equivalent Ge atoms. All Ir–Ge bond lengths are 2.60 Å. Ge is bonded in a 9-coordinate geometry to four equivalent Dy and five Ir atoms.

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Materials Data on KDy2F7 by Materials Project

KDy2F7 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are four inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 10-coordinate geometry to ten F1- atoms. There are a spread of K–F bond distances ranging from 2.67–2.94 Å. In the second K1+ site, K1+ is bonded in a 5-coordinate geometry to five F1- atoms. There are a spread of K–F bond distances ranging from 2.68–2.77 Å. In the third K1+ site, K1+ is bonded in a 5-coordinate geometry to five F1- atoms. There are a spread of K–F bond distances ranging from 2.68–2.75 Å. In the fourth K1+ site, K1+ is bonded in a 10-coordinate geometry to ten F1- atoms. There are a spread of K–F bond distances ranging from 2.68–2.95 Å. There are five inequivalent Dy3+ sites. In the first Dy3+ site, Dy3+ is bonded in a body-centered cubic geometry to eight F1- atoms. There are a spread of Dy–F bond distances ranging from 2.22–2.45 Å. In the second Dy3+ site, Dy3+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Dy–F bond distances ranging from 2.22–2.42 Å. In the third Dy3+ site, Dy3+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Dy–F bond distances ranging from 2.22–2.38 Å. In the fourth Dy3+ site, Dy3+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Dy–F bond distances ranging from 2.23–2.44 Å. In the fifth Dy3+ site, Dy3+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Dy–F bond distances ranging from 2.20–2.43 Å. There are nineteen inequivalent F1- sites. In the first F1- site, F1- is bonded to one K1+ and three Dy3+ atoms to form a mixture of distorted edge and corner-sharing FKDy3 tetrahedra. In the second F1- site, F1- is bonded to two K1+ and two Dy3+ atoms to form distorted FK2Dy2 tetrahedra that share corners with ten FK2Dy2 tetrahedra and edges with four FKDy3 tetrahedra. In the third F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one K1+ and two equivalent Dy3+ atoms. In the fourth F1- site, F1- is bonded to two K1+ and two equivalent Dy3+ atoms to form distorted FK2Dy2 tetrahedra that share corners with seven FKDy3 tetrahedra and edges with four FK2Dy2 tetrahedra. In the fifth F1- site, F1- is bonded to two K1+ and two equivalent Dy3+ atoms to form distorted FK2Dy2 tetrahedra that share corners with seven FKDy3 tetrahedra and edges with six FK2Dy2 tetrahedra. In the sixth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to two Dy3+ atoms. In the seventh F1- site, F1- is bonded to two K1+ and two equivalent Dy3+ atoms to form distorted FK2Dy2 tetrahedra that share corners with seven FKDy3 tetrahedra and edges with four FK2Dy2 tetrahedra. In the eighth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to two Dy3+ atoms. In the ninth F1- site, F1- is bonded to one K1+ and three Dy3+ atoms to form a mixture of distorted edge and corner-sharing FKDy3 tetrahedra. In the tenth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to two Dy3+ atoms. In the eleventh F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one K1+ and two equivalent Dy3+ atoms. In the twelfth F1- site, F1- is bonded in a 4-coordinate geometry to one K1+ and three Dy3+ atoms. In the thirteenth F1- site, F1- is bonded in a 2-coordinate geometry to one K1+ and two Dy3+ atoms. In the fourteenth F1- site, F1- is bonded in a 2-coordinate geometry to one K1+ and two Dy3+ atoms. In the fifteenth F1- site, F1- is bonded to one K1+ and three Dy3+ atoms to form FKDy3 tetrahedra that share corners with six FK2Dy2 tetrahedra and edges with three FKDy3 tetrahedra. In the sixteenth F1- site, F1- is bonded to two K1+ and two equivalent Dy3+ atoms to form a mixture of distorted edge and corner-sharing FK2Dy2 tetrahedra. In the seventeenth F1- site, F1- is bonded in a 4-coordinate geometry to one K1+ and three Dy3+ atoms. In the eighteenth F1- site, F1- is bonded to two K1+ and two Dy3+ atoms to form distorted FK2Dy2 tetrahedra that share corners with ten FKDy3 tetrahedra and edges with four FK2Dy2 tetrahedra. In the nineteenth F1- site, F1- is bonded to one K1+ and three Dy3+ atoms to form a mixture of distorted edge and corner-sharing FKDy3 tetrahedra.

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Materials Data on Dy2InAg by Materials Project

Dy2AgIn is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Dy is bonded in a body-centered cubic geometry to four equivalent Ag and four equivalent In atoms. All Dy–Ag bond lengths are 3.22 Å. All Dy–In bond lengths are 3.22 Å. Ag is bonded in a body-centered cubic geometry to eight equivalent Dy atoms. In is bonded in a body-centered cubic geometry to eight equivalent Dy atoms.

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