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At least 1,765 records · Page 98
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DOE OSTI2020

Materials Data on Zr4Pd2N by Materials Project

Zr4Pd2N crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. there are two inequivalent Zr sites. In the first Zr site, Zr is bonded in a 6-coordinate geometry to six equivalent Pd atoms. All Zr–Pd bond lengths are 2.76 Å. In the second Zr site, Zr is bonded in a distorted bent 150 degrees geometry to two equivalent Pd and two equivalent N atoms. Both Zr–Pd bond lengths are 2.87 Å. Both Zr–N bond lengths are 2.33 Å. Pd is bonded in a 9-coordinate geometry to six Zr atoms. N is bonded to six equivalent Zr atoms to form corner-sharing NZr6 octahedra. The corner-sharing octahedral tilt angles are 35°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ca5(GePd)6 by Materials Project

Ca5(PdGe)6 crystallizes in the cubic Im-3m space group. The structure is three-dimensional. there are two inequivalent Ca sites. In the first Ca site, Ca is bonded to six equivalent Ge atoms to form face-sharing CaGe6 octahedra. All Ca–Ge bond lengths are 3.07 Å. In the second Ca site, Ca is bonded to six equivalent Pd and six equivalent Ge atoms to form CaGe6Pd6 cuboctahedra that share corners with twelve equivalent CaGe6Pd6 cuboctahedra, faces with six equivalent CaGe6Pd6 cuboctahedra, and faces with two equivalent CaGe6 octahedra. All Ca–Pd bond lengths are 3.13 Å. All Ca–Ge bond lengths are 3.24 Å. Pd is bonded in a 8-coordinate geometry to four equivalent Ca and four equivalent Ge atoms. All Pd–Ge bond lengths are 2.60 Å. Ge is bonded in a 10-coordinate geometry to five Ca, four equivalent Pd, and one Ge atom. The Ge–Ge bond length is 2.71 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TbGaPd2 by Materials Project

TbPd2Ga is delta Molybdenum Boride-derived structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Tb is bonded in a 11-coordinate geometry to eight equivalent Pd and three equivalent Ga atoms. There are a spread of Tb–Pd bond distances ranging from 3.05–3.28 Å. There are a spread of Tb–Ga bond distances ranging from 3.04–3.09 Å. Pd is bonded in a 12-coordinate geometry to four equivalent Tb and three equivalent Ga atoms. There are a spread of Pd–Ga bond distances ranging from 2.54–2.65 Å. Ga is bonded in a 9-coordinate geometry to three equivalent Tb and six equivalent Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LiAgPd2 by Materials Project

LiPd2Ag crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two LiPd2Ag ribbons oriented in the (1, 0, 0) direction. Li is bonded in a linear geometry to two equivalent Pd atoms. Both Li–Pd bond lengths are 2.38 Å. Pd is bonded in a linear geometry to one Li and one Ag atom. The Pd–Ag bond length is 2.63 Å. Ag is bonded in a linear geometry to two equivalent Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LuGa2Pd by Materials Project

LuPdGa2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Lu is bonded in a 1-coordinate geometry to five equivalent Pd and ten equivalent Ga atoms. There are a spread of Lu–Pd bond distances ranging from 2.88–3.48 Å. There are a spread of Lu–Ga bond distances ranging from 2.99–3.34 Å. Pd is bonded in a 9-coordinate geometry to five equivalent Lu and six equivalent Ga atoms. There are two shorter (2.63 Å) and four longer (2.66 Å) Pd–Ga bond lengths. Ga is bonded in a 10-coordinate geometry to five equivalent Lu, three equivalent Pd, and two equivalent Ga atoms. There are one shorter (2.60 Å) and one longer (2.66 Å) Ga–Ga bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ca2AlPd2 by Materials Project

Ca2Pd2Al crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Ca is bonded in a 6-coordinate geometry to six equivalent Pd atoms. There are a spread of Ca–Pd bond distances ranging from 3.09–3.14 Å. Pd is bonded in a 2-coordinate geometry to six equivalent Ca and two equivalent Al atoms. There are one shorter (2.53 Å) and one longer (2.56 Å) Pd–Al bond lengths. Al is bonded in a 12-coordinate geometry to four equivalent Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ScPd2Pb by Materials Project

ScPd2Pb is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sc is bonded in a distorted body-centered cubic geometry to eight equivalent Pd and six equivalent Pb atoms. All Sc–Pd bond lengths are 2.90 Å. All Sc–Pb bond lengths are 3.35 Å. Pd is bonded in a distorted body-centered cubic geometry to four equivalent Sc and four equivalent Pb atoms. All Pd–Pb bond lengths are 2.90 Å. Pb is bonded in a 8-coordinate geometry to six equivalent Sc and eight equivalent Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TlCdPd2 by Materials Project

Pd2CdTl crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Pd2CdTl ribbons oriented in the (1, 0, 0) direction. Pd is bonded in a linear geometry to one Cd and one Tl atom. The Pd–Cd bond length is 2.65 Å. The Pd–Tl bond length is 2.59 Å. Cd is bonded in a linear geometry to two equivalent Pd atoms. Tl is bonded in a linear geometry to two equivalent Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on GdSnPd2 by Materials Project

GdPd2Sn is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Gd is bonded in a body-centered cubic geometry to eight equivalent Pd and six equivalent Sn atoms. All Gd–Pd bond lengths are 2.96 Å. All Gd–Sn bond lengths are 3.42 Å. Pd is bonded in a body-centered cubic geometry to four equivalent Gd and four equivalent Sn atoms. All Pd–Sn bond lengths are 2.96 Å. Sn is bonded in a distorted body-centered cubic geometry to six equivalent Gd and eight equivalent Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YGePd2 by Materials Project

YPd2Ge crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two YPd2Ge ribbons oriented in the (1, 0, 0) direction. Y is bonded in a linear geometry to two equivalent Pd atoms. Both Y–Pd bond lengths are 2.40 Å. Pd is bonded in a linear geometry to one Y and one Ge atom. The Pd–Ge bond length is 2.37 Å. Ge is bonded in a linear geometry to two equivalent Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TbYbPd2 by Materials Project

YbTbPd2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Yb is bonded in a body-centered cubic geometry to eight equivalent Pd atoms. All Yb–Pd bond lengths are 3.02 Å. Tb is bonded in a body-centered cubic geometry to eight equivalent Pd atoms. All Tb–Pd bond lengths are 3.02 Å. Pd is bonded in a body-centered cubic geometry to four equivalent Yb and four equivalent Tb atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TmSiPd2 by Materials Project

TmPd2Si is delta Molybdenum Boride-derived structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Tm is bonded in a 11-coordinate geometry to eight equivalent Pd and three equivalent Si atoms. There are a spread of Tm–Pd bond distances ranging from 2.96–3.18 Å. There are two shorter (2.96 Å) and one longer (3.00 Å) Tm–Si bond lengths. Pd is bonded in a 12-coordinate geometry to four equivalent Tm and three equivalent Si atoms. There are a spread of Pd–Si bond distances ranging from 2.48–2.61 Å. Si is bonded in a 9-coordinate geometry to three equivalent Tm and six equivalent Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YMgPd2 by Materials Project

YPd2Mg crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two YPd2Mg ribbons oriented in the (1, 0, 0) direction. Mg is bonded in a linear geometry to two equivalent Pd atoms. Both Mg–Pd bond lengths are 2.65 Å. Y is bonded in a linear geometry to two equivalent Pd atoms. Both Y–Pd bond lengths are 2.42 Å. Pd is bonded in a linear geometry to one Mg and one Y atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on UGePd by Materials Project

UPdGe crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. U is bonded in a 12-coordinate geometry to six equivalent Pd and six equivalent Ge atoms. There are a spread of U–Pd bond distances ranging from 3.04–3.22 Å. There are a spread of U–Ge bond distances ranging from 3.05–3.20 Å. Pd is bonded in a 10-coordinate geometry to six equivalent U and four equivalent Ge atoms. There are a spread of Pd–Ge bond distances ranging from 2.61–2.77 Å. Ge is bonded in a 10-coordinate geometry to six equivalent U and four equivalent Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on MgPd2Au by Materials Project

MgPd2Au is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Mg is bonded in a distorted body-centered cubic geometry to eight equivalent Pd and six equivalent Au atoms. All Mg–Pd bond lengths are 2.78 Å. All Mg–Au bond lengths are 3.21 Å. Pd is bonded in a body-centered cubic geometry to four equivalent Mg and four equivalent Au atoms. All Pd–Au bond lengths are 2.78 Å. Au is bonded in a distorted body-centered cubic geometry to six equivalent Mg and eight equivalent Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CeGaPd by Materials Project

CePdGa crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ce is bonded in a 1-coordinate geometry to five equivalent Pd and six equivalent Ga atoms. There are a spread of Ce–Pd bond distances ranging from 2.97–3.20 Å. There are a spread of Ce–Ga bond distances ranging from 3.15–3.28 Å. Pd is bonded in a 9-coordinate geometry to five equivalent Ce and four equivalent Ga atoms. There are a spread of Pd–Ga bond distances ranging from 2.64–2.81 Å. Ga is bonded in a 10-coordinate geometry to six equivalent Ce and four equivalent Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Tb3Al3NiPd2 by Materials Project

Tb3Pd2NiAl3 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Tb is bonded in a 5-coordinate geometry to four equivalent Pd, one Ni, and six equivalent Al atoms. All Tb–Pd bond lengths are 2.95 Å. The Tb–Ni bond length is 2.93 Å. There are four shorter (3.25 Å) and two longer (3.26 Å) Tb–Al bond lengths. Pd is bonded in a 9-coordinate geometry to six equivalent Tb and three equivalent Al atoms. All Pd–Al bond lengths are 2.82 Å. Ni is bonded in a distorted q6 geometry to three equivalent Tb and six equivalent Al atoms. All Ni–Al bond lengths are 2.59 Å. Al is bonded in a 12-coordinate geometry to six equivalent Tb, two equivalent Pd, two equivalent Ni, and two equivalent Al atoms. Both Al–Al bond lengths are 2.81 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CeAlPd2 by Materials Project

CePd2Al crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ce is bonded in a 11-coordinate geometry to eight equivalent Pd and three equivalent Al atoms. There are a spread of Ce–Pd bond distances ranging from 3.05–3.35 Å. There are a spread of Ce–Al bond distances ranging from 3.17–3.25 Å. Pd is bonded in a 12-coordinate geometry to four equivalent Ce and three equivalent Al atoms. There are a spread of Pd–Al bond distances ranging from 2.58–2.68 Å. Al is bonded in a 6-coordinate geometry to three equivalent Ce and six equivalent Pd atoms.

36 MATERIALS SCIENCE↗