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At least 1,513 records · Page 84
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DOE OSTI2020

Materials Data on LaAl3Pd2 by Materials Project

LaPd2Al3 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. La is bonded in a distorted hexagonal planar geometry to six equivalent Pd and twelve equivalent Al atoms. All La–Pd bond lengths are 3.20 Å. All La–Al bond lengths are 3.49 Å. Pd is bonded in a 9-coordinate geometry to three equivalent La and six equivalent Al atoms. All Pd–Al bond lengths are 2.66 Å. Al is bonded in a 12-coordinate geometry to four equivalent La and four equivalent Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LiAl2Pd by Materials Project

LiPdAl2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Li is bonded in a distorted body-centered cubic geometry to six equivalent Pd and eight equivalent Al atoms. All Li–Pd bond lengths are 3.05 Å. All Li–Al bond lengths are 2.65 Å. Pd is bonded in a distorted body-centered cubic geometry to six equivalent Li and eight equivalent Al atoms. All Pd–Al bond lengths are 2.65 Å. Al is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sm(GaPd)2 by Materials Project

Sm(PdGa)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Sm is bonded in a 8-coordinate geometry to eight equivalent Pd and eight equivalent Ga atoms. All Sm–Pd bond lengths are 3.38 Å. All Sm–Ga bond lengths are 3.28 Å. Pd is bonded to four equivalent Sm and four equivalent Ga atoms to form a mixture of distorted edge, face, and corner-sharing PdSm4Ga4 tetrahedra. All Pd–Ga bond lengths are 2.53 Å. Ga is bonded in a 9-coordinate geometry to four equivalent Sm, four equivalent Pd, and one Ga atom. The Ga–Ga bond length is 2.55 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LuBPd3 by Materials Project

LuPd3B is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Lu is bonded to twelve equivalent Pd atoms to form LuPd12 cuboctahedra that share corners with twelve equivalent LuPd12 cuboctahedra, faces with six equivalent LuPd12 cuboctahedra, and faces with eight equivalent BPd6 octahedra. All Lu–Pd bond lengths are 3.03 Å. Pd is bonded to four equivalent Lu and two equivalent B atoms to form a mixture of distorted corner, edge, and face-sharing PdLu4B2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°. Both Pd–B bond lengths are 2.14 Å. B is bonded to six equivalent Pd atoms to form BPd6 octahedra that share corners with six equivalent BPd6 octahedra and faces with eight equivalent LuPd12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Tb2Pd2Pb by Materials Project

Tb2Pd2Pb crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Tb is bonded in a 6-coordinate geometry to six equivalent Pd and four equivalent Pb atoms. There are two shorter (2.92 Å) and four longer (3.00 Å) Tb–Pd bond lengths. All Tb–Pb bond lengths are 3.47 Å. Pd is bonded in a 6-coordinate geometry to six equivalent Tb and two equivalent Pb atoms. Both Pd–Pb bond lengths are 3.15 Å. Pb is bonded to eight equivalent Tb and four equivalent Pd atoms to form a mixture of corner and face-sharing PbTb8Pd4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Er2Pd2Pb by Materials Project

Er2Pd2Pb crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Er is bonded in a 6-coordinate geometry to six equivalent Pd and four equivalent Pb atoms. There are two shorter (2.90 Å) and four longer (2.96 Å) Er–Pd bond lengths. All Er–Pb bond lengths are 3.44 Å. Pd is bonded in a 6-coordinate geometry to six equivalent Er and two equivalent Pb atoms. Both Pd–Pb bond lengths are 3.13 Å. Pb is bonded to eight equivalent Er and four equivalent Pd atoms to form a mixture of distorted corner and face-sharing PbEr8Pd4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Lu2Pd2Pb by Materials Project

Lu2Pd2Pb crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Lu is bonded in a 6-coordinate geometry to six equivalent Pd and four equivalent Pb atoms. There are two shorter (2.88 Å) and four longer (2.93 Å) Lu–Pd bond lengths. All Lu–Pb bond lengths are 3.42 Å. Pd is bonded in a 6-coordinate geometry to six equivalent Lu and two equivalent Pb atoms. Both Pd–Pb bond lengths are 3.10 Å. Pb is bonded to eight equivalent Lu and four equivalent Pd atoms to form a mixture of distorted corner and face-sharing PbLu8Pd4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on MnInPd2 by Materials Project

Pd2MnIn is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Mn is bonded in a body-centered cubic geometry to eight equivalent Pd atoms. All Mn–Pd bond lengths are 2.78 Å. Pd is bonded in a body-centered cubic geometry to four equivalent Mn and four equivalent In atoms. All Pd–In bond lengths are 2.78 Å. In is bonded in a body-centered cubic geometry to eight equivalent Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ScInPd2 by Materials Project

ScPd2In is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sc is bonded in a body-centered cubic geometry to eight equivalent Pd atoms. All Sc–Pd bond lengths are 2.85 Å. Pd is bonded in a body-centered cubic geometry to four equivalent Sc and four equivalent In atoms. All Pd–In bond lengths are 2.85 Å. In is bonded in a distorted body-centered cubic geometry to eight equivalent Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on HoGaPd by Materials Project

HoPdGa crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ho is bonded in a 1-coordinate geometry to six equivalent Pd and six equivalent Ga atoms. There are a spread of Ho–Pd bond distances ranging from 2.91–3.39 Å. There are a spread of Ho–Ga bond distances ranging from 3.11–3.20 Å. Pd is bonded in a 10-coordinate geometry to six equivalent Ho and four equivalent Ga atoms. There are a spread of Pd–Ga bond distances ranging from 2.60–2.75 Å. Ga is bonded in a 10-coordinate geometry to six equivalent Ho and four equivalent Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sm(GePd)2 by Materials Project

Sm(PdGe)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Sm is bonded in a 8-coordinate geometry to eight equivalent Pd and eight equivalent Ge atoms. All Sm–Pd bond lengths are 3.34 Å. All Sm–Ge bond lengths are 3.30 Å. Pd is bonded in a 4-coordinate geometry to four equivalent Sm and four equivalent Ge atoms. All Pd–Ge bond lengths are 2.53 Å. Ge is bonded in a 9-coordinate geometry to four equivalent Sm, four equivalent Pd, and one Ge atom. The Ge–Ge bond length is 2.48 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YbSnPd by Materials Project

YbPdSn crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Yb is bonded in a 11-coordinate geometry to five equivalent Pd and six equivalent Sn atoms. There are a spread of Yb–Pd bond distances ranging from 3.05–3.20 Å. There are one shorter (3.27 Å) and five longer (3.36 Å) Yb–Sn bond lengths. Pd is bonded in a 9-coordinate geometry to five equivalent Yb and four equivalent Sn atoms. There are a spread of Pd–Sn bond distances ranging from 2.72–2.81 Å. Sn is bonded in a 10-coordinate geometry to six equivalent Yb and four equivalent Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Er(SiPd)2 by Materials Project

ErPd2Si2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Er is bonded in a 8-coordinate geometry to eight equivalent Pd and eight equivalent Si atoms. All Er–Pd bond lengths are 3.24 Å. All Er–Si bond lengths are 3.15 Å. Pd is bonded to four equivalent Er and four equivalent Si atoms to form a mixture of distorted corner, edge, and face-sharing PdEr4Si4 tetrahedra. All Pd–Si bond lengths are 2.46 Å. Si is bonded in a 9-coordinate geometry to four equivalent Er, four equivalent Pd, and one Si atom. The Si–Si bond length is 2.31 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NiGePd by Materials Project

PdNiGe is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Pd is bonded in a 5-coordinate geometry to four equivalent Ni and five equivalent Ge atoms. All Pd–Ni bond lengths are 2.91 Å. There are one shorter (2.49 Å) and four longer (2.67 Å) Pd–Ge bond lengths. Ni is bonded to four equivalent Pd, four equivalent Ni, and four equivalent Ge atoms to form a mixture of distorted corner and face-sharing NiNi4Ge4Pd4 cuboctahedra. All Ni–Ni bond lengths are 2.57 Å. All Ni–Ge bond lengths are 2.39 Å. Ge is bonded in a 9-coordinate geometry to five equivalent Pd and four equivalent Ni atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Yb(GePd)2 by Materials Project

YbPd2Ge2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Yb is bonded in a 8-coordinate geometry to eight equivalent Pd and eight equivalent Ge atoms. All Yb–Pd bond lengths are 3.33 Å. All Yb–Ge bond lengths are 3.31 Å. Pd is bonded in a 4-coordinate geometry to four equivalent Yb and four equivalent Ge atoms. All Pd–Ge bond lengths are 2.52 Å. Ge is bonded in a 9-coordinate geometry to four equivalent Yb, four equivalent Pd, and one Ge atom. The Ge–Ge bond length is 2.49 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Dy(SiPd)2 by Materials Project

DyPd2Si2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Dy is bonded in a 8-coordinate geometry to eight equivalent Pd and eight equivalent Si atoms. All Dy–Pd bond lengths are 3.25 Å. All Dy–Si bond lengths are 3.16 Å. Pd is bonded to four equivalent Dy and four equivalent Si atoms to form a mixture of distorted corner, edge, and face-sharing PdDy4Si4 tetrahedra. All Pd–Si bond lengths are 2.47 Å. Si is bonded in a 9-coordinate geometry to four equivalent Dy, four equivalent Pd, and one Si atom. The Si–Si bond length is 2.32 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ErSiPd2 by Materials Project

ErPd2Si crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Er is bonded in a 11-coordinate geometry to eight equivalent Pd and three equivalent Si atoms. There are a spread of Er–Pd bond distances ranging from 2.98–3.17 Å. There are two shorter (2.96 Å) and one longer (2.99 Å) Er–Si bond lengths. Pd is bonded in a 12-coordinate geometry to four equivalent Er and three equivalent Si atoms. There are a spread of Pd–Si bond distances ranging from 2.49–2.60 Å. Si is bonded in a 9-coordinate geometry to three equivalent Er and six equivalent Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SmBPd3 by Materials Project

SmPd3B is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Sm is bonded to twelve equivalent Pd atoms to form SmPd12 cuboctahedra that share corners with twelve equivalent SmPd12 cuboctahedra, faces with six equivalent SmPd12 cuboctahedra, and faces with eight equivalent BPd6 octahedra. All Sm–Pd bond lengths are 3.08 Å. Pd is bonded to four equivalent Sm and two equivalent B atoms to form a mixture of distorted edge, face, and corner-sharing PdSm4B2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°. Both Pd–B bond lengths are 2.18 Å. B is bonded to six equivalent Pd atoms to form BPd6 octahedra that share corners with six equivalent BPd6 octahedra and faces with eight equivalent SmPd12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗