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At least 703 records · Page 39
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DOE OSTI2020

Materials Data on LiDy2Cl5 by Materials Project

LiDy2Cl5 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Li is bonded to six Cl atoms to form corner-sharing LiCl6 octahedra. The corner-sharing octahedral tilt angles are 44°. There are a spread of Li–Cl bond distances ranging from 2.40–2.85 Å. Dy is bonded in a 7-coordinate geometry to seven Cl atoms. There are a spread of Dy–Cl bond distances ranging from 2.59–3.10 Å. There are three inequivalent Cl sites. In the first Cl site, Cl is bonded to one Li and three equivalent Dy atoms to form distorted ClLiDy3 tetrahedra that share corners with three equivalent ClLiDy3 tetrahedra, corners with twelve ClDy4 trigonal pyramids, edges with two equivalent ClLiDy3 tetrahedra, and edges with two ClDy4 trigonal pyramids. In the second Cl site, Cl is bonded to four equivalent Dy atoms to form distorted ClDy4 trigonal pyramids that share corners with eight equivalent ClLiDy3 tetrahedra, corners with four equivalent ClLi2Dy2 trigonal pyramids, edges with two equivalent ClLiDy3 tetrahedra, and edges with four ClDy4 trigonal pyramids. In the third Cl site, Cl is bonded to two equivalent Li and two equivalent Dy atoms to form distorted ClLi2Dy2 trigonal pyramids that share corners with eight equivalent ClLiDy3 tetrahedra, corners with six ClDy4 trigonal pyramids, an edgeedge with one ClLiDy3 tetrahedra, and edges with three ClDy4 trigonal pyramids.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Dy3AlC by Materials Project

Dy3AlC is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Dy is bonded in a linear geometry to four equivalent Al and two equivalent C atoms. All Dy–Al bond lengths are 3.46 Å. Both Dy–C bond lengths are 2.44 Å. Al is bonded to twelve equivalent Dy atoms to form AlDy12 cuboctahedra that share corners with twelve equivalent AlDy12 cuboctahedra, faces with six equivalent AlDy12 cuboctahedra, and faces with eight equivalent CDy6 octahedra. C is bonded to six equivalent Dy atoms to form CDy6 octahedra that share corners with six equivalent CDy6 octahedra and faces with eight equivalent AlDy12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on DyNiBi by Materials Project

DyNiBi is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Dy is bonded in a 4-coordinate geometry to four equivalent Ni and six equivalent Bi atoms. All Dy–Ni bond lengths are 2.81 Å. All Dy–Bi bond lengths are 3.25 Å. Ni is bonded in a body-centered cubic geometry to four equivalent Dy and four equivalent Bi atoms. All Ni–Bi bond lengths are 2.81 Å. Bi is bonded in a distorted q6 geometry to six equivalent Dy and four equivalent Ni atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on DyBiPt by Materials Project

DyPtBi is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Dy is bonded to four equivalent Pt and six equivalent Bi atoms to form a mixture of distorted face and corner-sharing DyBi6Pt4 tetrahedra. All Dy–Pt bond lengths are 2.92 Å. All Dy–Bi bond lengths are 3.37 Å. Pt is bonded in a body-centered cubic geometry to four equivalent Dy and four equivalent Bi atoms. All Pt–Bi bond lengths are 2.92 Å. Bi is bonded in a 10-coordinate geometry to six equivalent Dy and four equivalent Pt atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on DySnPd by Materials Project

DyPdSn crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Dy is bonded in a 12-coordinate geometry to six equivalent Pd and six equivalent Sn atoms. There are a spread of Dy–Pd bond distances ranging from 3.12–3.41 Å. There are a spread of Dy–Sn bond distances ranging from 3.21–3.33 Å. Pd is bonded in a 10-coordinate geometry to six equivalent Dy and four equivalent Sn atoms. There are a spread of Pd–Sn bond distances ranging from 2.70–2.89 Å. Sn is bonded in a 10-coordinate geometry to six equivalent Dy and four equivalent Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on DySi2Rh3 by Materials Project

DyRh3Si2 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Dy is bonded in a 6-coordinate geometry to twelve equivalent Rh and six equivalent Si atoms. All Dy–Rh bond lengths are 3.32 Å. All Dy–Si bond lengths are 3.19 Å. Rh is bonded in a distorted square co-planar geometry to four equivalent Dy and four equivalent Si atoms. All Rh–Si bond lengths are 2.44 Å. Si is bonded in a 9-coordinate geometry to three equivalent Dy and six equivalent Rh atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on DyZn3 by Materials Project

DyZn3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Dy is bonded in a 12-coordinate geometry to fourteen Zn atoms. There are a spread of Dy–Zn bond distances ranging from 2.99–3.44 Å. There are three inequivalent Zn sites. In the first Zn site, Zn is bonded in a 10-coordinate geometry to four equivalent Dy and six Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.60–2.80 Å. In the second Zn site, Zn is bonded in a 12-coordinate geometry to five equivalent Dy and seven Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.59–3.12 Å. In the third Zn site, Zn is bonded in a 10-coordinate geometry to five equivalent Dy and five Zn atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Dy3InN by Materials Project

Dy3InN is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Dy is bonded in a linear geometry to four equivalent In and two equivalent N atoms. All Dy–In bond lengths are 3.41 Å. Both Dy–N bond lengths are 2.41 Å. In is bonded to twelve equivalent Dy atoms to form InDy12 cuboctahedra that share corners with twelve equivalent InDy12 cuboctahedra, faces with six equivalent InDy12 cuboctahedra, and faces with eight equivalent NDy6 octahedra. N is bonded to six equivalent Dy atoms to form NDy6 octahedra that share corners with six equivalent NDy6 octahedra and faces with eight equivalent InDy12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Dy2Pd2Pb by Materials Project

Dy2Pd2Pb crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Dy is bonded in a 6-coordinate geometry to six equivalent Pd and four equivalent Pb atoms. There are two shorter (2.91 Å) and four longer (2.99 Å) Dy–Pd bond lengths. All Dy–Pb bond lengths are 3.46 Å. Pd is bonded in a 6-coordinate geometry to six equivalent Dy, one Pd, and two equivalent Pb atoms. The Pd–Pd bond length is 2.83 Å. Both Pd–Pb bond lengths are 3.15 Å. Pb is bonded to eight equivalent Dy and four equivalent Pd atoms to form a mixture of corner and face-sharing PbDy8Pd4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on DySnAu by Materials Project

DyAuSn crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Dy is bonded in a 12-coordinate geometry to six equivalent Au and six equivalent Sn atoms. There are three shorter (3.01 Å) and three longer (3.66 Å) Dy–Au bond lengths. There are three shorter (3.20 Å) and three longer (3.40 Å) Dy–Sn bond lengths. Au is bonded in a 10-coordinate geometry to six equivalent Dy and four equivalent Sn atoms. There are three shorter (2.82 Å) and one longer (2.97 Å) Au–Sn bond lengths. Sn is bonded in a 10-coordinate geometry to six equivalent Dy and four equivalent Au atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on DyNiSb by Materials Project

DyNiSb is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Dy is bonded in a 4-coordinate geometry to four equivalent Ni and six equivalent Sb atoms. All Dy–Ni bond lengths are 2.75 Å. All Dy–Sb bond lengths are 3.17 Å. Ni is bonded in a body-centered cubic geometry to four equivalent Dy and four equivalent Sb atoms. All Ni–Sb bond lengths are 2.75 Å. Sb is bonded in a distorted q6 geometry to six equivalent Dy and four equivalent Ni atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on DyNiSn by Materials Project

DyNiSn crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Dy is bonded in a 12-coordinate geometry to six equivalent Ni and six equivalent Sn atoms. There are a spread of Dy–Ni bond distances ranging from 3.01–3.31 Å. There are a spread of Dy–Sn bond distances ranging from 3.12–3.21 Å. Ni is bonded in a 10-coordinate geometry to six equivalent Dy and four equivalent Sn atoms. There are a spread of Ni–Sn bond distances ranging from 2.60–2.79 Å. Sn is bonded in a 10-coordinate geometry to six equivalent Dy and four equivalent Ni atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on DyAgPb by Materials Project

DyAgPb crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Dy is bonded in a 12-coordinate geometry to six equivalent Ag and six equivalent Pb atoms. There are three shorter (3.10 Å) and three longer (3.68 Å) Dy–Ag bond lengths. There are three shorter (3.26 Å) and three longer (3.47 Å) Dy–Pb bond lengths. Ag is bonded in a 10-coordinate geometry to six equivalent Dy and four equivalent Pb atoms. There are three shorter (2.88 Å) and one longer (3.04 Å) Ag–Pb bond lengths. Pb is bonded in a 10-coordinate geometry to six equivalent Dy and four equivalent Ag atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Dy2OsPd by Materials Project

Dy2OsPd 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 Os and four equivalent Pd atoms. All Dy–Os bond lengths are 2.99 Å. All Dy–Pd bond lengths are 2.99 Å. Os is bonded in a body-centered cubic geometry to eight equivalent Dy atoms. Pd is bonded in a body-centered cubic geometry to eight equivalent Dy atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on DyGa2Cu3 by Materials Project

DyCu3Ga2 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Dy is bonded in a 6-coordinate geometry to twelve equivalent Cu and six equivalent Ga atoms. All Dy–Cu bond lengths are 3.31 Å. All Dy–Ga bond lengths are 3.03 Å. Cu is bonded to four equivalent Dy, four equivalent Cu, and four equivalent Ga atoms to form a mixture of distorted edge, face, and corner-sharing CuDy4Ga4Cu4 cuboctahedra. All Cu–Cu bond lengths are 2.63 Å. All Cu–Ga bond lengths are 2.52 Å. Ga is bonded in a 9-coordinate geometry to three equivalent Dy and six equivalent Cu atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Dy2B4C by Materials Project

Dy2B4C crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Dy is bonded in a 2-coordinate geometry to six equivalent B and two equivalent C atoms. There are four shorter (2.74 Å) and two longer (2.98 Å) Dy–B bond lengths. Both Dy–C bond lengths are 2.41 Å. There are two inequivalent B sites. In the first B site, B is bonded in a 3-coordinate geometry to six equivalent Dy and three B atoms. There is one shorter (1.77 Å) and two longer (1.87 Å) B–B bond length. In the second B site, B is bonded in a single-bond geometry to two equivalent B and one C atom. The B–C bond length is 1.49 Å. C is bonded to four equivalent Dy and two equivalent B atoms to form distorted edge-sharing CDy4B2 octahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on DyAl2Ni by Materials Project

DyNiAl2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Dy is bonded in a 1-coordinate geometry to three equivalent Ni and ten equivalent Al atoms. There are one shorter (2.80 Å) and two longer (3.03 Å) Dy–Ni bond lengths. There are a spread of Dy–Al bond distances ranging from 3.04–3.27 Å. Ni is bonded in a 9-coordinate geometry to three equivalent Dy and six equivalent Al atoms. There are two shorter (2.46 Å) and four longer (2.49 Å) Ni–Al bond lengths. Al is bonded in a 3-coordinate geometry to five equivalent Dy and three equivalent Ni atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Dy2InGe2 by Materials Project

Dy2InGe2 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Dy is bonded in a 6-coordinate geometry to four equivalent In and six equivalent Ge atoms. All Dy–In bond lengths are 3.44 Å. There are two shorter (2.97 Å) and four longer (3.09 Å) Dy–Ge bond lengths. In is bonded to eight equivalent Dy and four equivalent Ge atoms to form a mixture of corner and face-sharing InDy8Ge4 cuboctahedra. All In–Ge bond lengths are 2.96 Å. Ge is bonded in a 9-coordinate geometry to six equivalent Dy, two equivalent In, and one Ge atom. The Ge–Ge bond length is 2.56 Å.

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