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At least 955 records · Page 53
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DOE OSTI2020

Materials Data on MnGaPd2 by Materials Project

Pd2MnGa crystallizes in the tetragonal P4mm space group. The structure is three-dimensional. Mn is bonded in a 10-coordinate geometry to six Pd and four equivalent Ga atoms. There are a spread of Mn–Pd bond distances ranging from 2.64–2.83 Å. All Mn–Ga bond lengths are 2.81 Å. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 6-coordinate geometry to four equivalent Mn and two equivalent Ga atoms. There are one shorter (2.72 Å) and one longer (2.77 Å) Pd–Ga bond lengths. In the second Pd site, Pd is bonded in a 6-coordinate geometry to two equivalent Mn and four equivalent Ga atoms. All Pd–Ga bond lengths are 2.61 Å. Ga is bonded in a distorted q6 geometry to four equivalent Mn and six Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PrHgPd by Materials Project

PrPdHg crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Pr is bonded in a 11-coordinate geometry to five Pd and six equivalent Hg atoms. There are four shorter (3.12 Å) and one longer (3.14 Å) Pr–Pd bond lengths. There are two shorter (3.32 Å) and four longer (3.41 Å) Pr–Hg bond lengths. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 9-coordinate geometry to three equivalent Pr and six equivalent Hg atoms. All Pd–Hg bond lengths are 2.88 Å. In the second Pd site, Pd is bonded in a 9-coordinate geometry to six equivalent Pr and three equivalent Hg atoms. All Pd–Hg bond lengths are 2.94 Å. Hg is bonded in a distorted q6 geometry to six equivalent Pr and four Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ThAlPd by Materials Project

ThPdAl crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Th is bonded in a 5-coordinate geometry to five Pd atoms. There are four shorter (3.04 Å) and one longer (3.07 Å) Th–Pd bond lengths. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 9-coordinate geometry to three equivalent Th and six equivalent Al atoms. All Pd–Al bond lengths are 2.71 Å. In the second Pd site, Pd is bonded in a 9-coordinate geometry to six equivalent Th and three equivalent Al atoms. All Pd–Al bond lengths are 2.88 Å. Al is bonded in a 4-coordinate geometry to four Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PrInPd by Materials Project

PrPdIn crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Pr is bonded in a 11-coordinate geometry to five Pd and six equivalent In atoms. There are four shorter (3.13 Å) and one longer (3.21 Å) Pr–Pd bond lengths. There are two shorter (3.35 Å) and four longer (3.47 Å) Pr–In bond lengths. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 9-coordinate geometry to three equivalent Pr and six equivalent In atoms. All Pd–In bond lengths are 2.83 Å. In the second Pd site, Pd is bonded in a 9-coordinate geometry to six equivalent Pr and three equivalent In atoms. All Pd–In bond lengths are 2.98 Å. In is bonded in a 10-coordinate geometry to six equivalent Pr and four Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TbZnPd by Materials Project

TbPdZn crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Tb is bonded in a 11-coordinate geometry to five Pd and six equivalent Zn atoms. There are four shorter (2.94 Å) and one longer (3.00 Å) Tb–Pd bond lengths. There are two shorter (3.16 Å) and four longer (3.25 Å) Tb–Zn bond lengths. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 9-coordinate geometry to three equivalent Tb and six equivalent Zn atoms. All Pd–Zn bond lengths are 2.67 Å. In the second Pd site, Pd is bonded in a 9-coordinate geometry to six equivalent Tb and three equivalent Zn atoms. All Pd–Zn bond lengths are 2.81 Å. Zn is bonded in a 10-coordinate geometry to six equivalent Tb and four Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PrAlPd by Materials Project

PrPdAl crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Pr is bonded in a 5-coordinate geometry to five Pd and six equivalent Al atoms. There are four shorter (3.05 Å) and one longer (3.07 Å) Pr–Pd bond lengths. There are two shorter (3.33 Å) and four longer (3.40 Å) Pr–Al bond lengths. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 9-coordinate geometry to three equivalent Pr and six equivalent Al atoms. All Pd–Al bond lengths are 2.70 Å. In the second Pd site, Pd is bonded in a 9-coordinate geometry to six equivalent Pr and three equivalent Al atoms. All Pd–Al bond lengths are 2.89 Å. Al is bonded in a 12-coordinate geometry to six equivalent Pr and four Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YPdPb by Materials Project

YPdPb crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Y is bonded in a 11-coordinate geometry to five Pd and six equivalent Pb atoms. There are four shorter (3.09 Å) and one longer (3.14 Å) Y–Pd bond lengths. There are two shorter (3.27 Å) and four longer (3.38 Å) Y–Pb bond lengths. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 9-coordinate geometry to three equivalent Y and six equivalent Pb atoms. All Pd–Pb bond lengths are 2.86 Å. In the second Pd site, Pd is bonded in a 9-coordinate geometry to six equivalent Y and three equivalent Pb atoms. All Pd–Pb bond lengths are 2.92 Å. Pb is bonded in a distorted q6 geometry to six equivalent Y and four Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ti2NiPd by Materials Project

Ti2PdNi crystallizes in the orthorhombic Pmm2 space group. The structure is three-dimensional. there are two inequivalent Ti sites. In the first Ti site, Ti is bonded in a 12-coordinate geometry to four equivalent Pd and four equivalent Ni atoms. All Ti–Pd bond lengths are 2.67 Å. There are two shorter (2.70 Å) and two longer (2.83 Å) Ti–Ni bond lengths. In the second Ti site, Ti is bonded in a 8-coordinate geometry to four equivalent Pd and four equivalent Ni atoms. There are two shorter (2.66 Å) and two longer (2.86 Å) Ti–Pd bond lengths. All Ti–Ni bond lengths are 2.67 Å. Pd is bonded to eight Ti, two equivalent Pd, and two equivalent Ni atoms to form distorted PdTi8Ni2Pd2 cuboctahedra that share corners with ten equivalent PdTi8Ni2Pd2 cuboctahedra, edges with two equivalent PdTi8Ni2Pd2 cuboctahedra, edges with four equivalent NiTi8Ni2Pd2 cuboctahedra, faces with four equivalent PdTi8Ni2Pd2 cuboctahedra, and faces with eight equivalent NiTi8Ni2Pd2 cuboctahedra. Both Pd–Pd bond lengths are 2.77 Å. Both Pd–Ni bond lengths are 2.86 Å. Ni is bonded to eight Ti, two equivalent Pd, and two equivalent Ni atoms to form distorted NiTi8Ni2Pd2 cuboctahedra that share corners with ten equivalent NiTi8Ni2Pd2 cuboctahedra, edges with two equivalent NiTi8Ni2Pd2 cuboctahedra, edges with four equivalent PdTi8Ni2Pd2 cuboctahedra, faces with four equivalent NiTi8Ni2Pd2 cuboctahedra, and faces with eight equivalent PdTi8Ni2Pd2 cuboctahedra. Both Ni–Ni bond lengths are 2.77 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LaHgPd by Materials Project

LaPdHg crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. La is bonded in a 11-coordinate geometry to five Pd and six equivalent Hg atoms. There are four shorter (3.14 Å) and one longer (3.20 Å) La–Pd bond lengths. There are two shorter (3.36 Å) and four longer (3.46 Å) La–Hg bond lengths. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 9-coordinate geometry to three equivalent La and six equivalent Hg atoms. All Pd–Hg bond lengths are 2.86 Å. In the second Pd site, Pd is bonded in a 9-coordinate geometry to six equivalent La and three equivalent Hg atoms. All Pd–Hg bond lengths are 2.99 Å. Hg is bonded in a 10-coordinate geometry to six equivalent La and four Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on EuInPd by Materials Project

EuPdIn crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Eu is bonded in a 11-coordinate geometry to five Pd and six equivalent In atoms. There are one shorter (3.14 Å) and four longer (3.16 Å) Eu–Pd bond lengths. There are two shorter (3.38 Å) and four longer (3.48 Å) Eu–In bond lengths. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 9-coordinate geometry to three equivalent Eu and six equivalent In atoms. All Pd–In bond lengths are 2.87 Å. In the second Pd site, Pd is bonded in a 9-coordinate geometry to six equivalent Eu and three equivalent In atoms. All Pd–In bond lengths are 2.93 Å. In is bonded in a 12-coordinate geometry to six equivalent Eu and four Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ErSnPd by Materials Project

ErPdSn crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Er is bonded in a 11-coordinate geometry to five Pd and six equivalent Sn atoms. There are four shorter (3.02 Å) and one longer (3.09 Å) Er–Pd bond lengths. There are two shorter (3.20 Å) and four longer (3.33 Å) Er–Sn bond lengths. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 9-coordinate geometry to three equivalent Er and six equivalent Sn atoms. All Pd–Sn bond lengths are 2.77 Å. In the second Pd site, Pd is bonded in a 9-coordinate geometry to six equivalent Er and three equivalent Sn atoms. All Pd–Sn bond lengths are 2.86 Å. Sn is bonded in a 10-coordinate geometry to six equivalent Er and four Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LaCuPd by Materials Project

LaPdCu crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. La is bonded in a 11-coordinate geometry to five Pd and six equivalent Cu atoms. There are one shorter (2.97 Å) and four longer (3.03 Å) La–Pd bond lengths. There are four shorter (3.28 Å) and two longer (3.32 Å) La–Cu bond lengths. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 9-coordinate geometry to three equivalent La and six equivalent Cu atoms. All Pd–Cu bond lengths are 2.71 Å. In the second Pd site, Pd is bonded in a 9-coordinate geometry to six equivalent La and three equivalent Cu atoms. All Pd–Cu bond lengths are 2.86 Å. Cu is bonded in a 12-coordinate geometry to six equivalent La and four Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SmCdPd by Materials Project

SmPdCd crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Sm is bonded in a 11-coordinate geometry to five Pd and six equivalent Cd atoms. There are four shorter (3.07 Å) and one longer (3.14 Å) Sm–Pd bond lengths. There are two shorter (3.29 Å) and four longer (3.39 Å) Sm–Cd bond lengths. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 9-coordinate geometry to three equivalent Sm and six equivalent Cd atoms. All Pd–Cd bond lengths are 2.80 Å. In the second Pd site, Pd is bonded in a 9-coordinate geometry to six equivalent Sm and three equivalent Cd atoms. All Pd–Cd bond lengths are 2.93 Å. Cd is bonded in a 4-coordinate geometry to six equivalent Sm and four Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YbPdPb by Materials Project

YbPdPb crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Yb is bonded in a 11-coordinate geometry to five Pd and six equivalent Pb atoms. There are four shorter (3.11 Å) and one longer (3.17 Å) Yb–Pd bond lengths. There are two shorter (3.27 Å) and four longer (3.43 Å) Yb–Pb bond lengths. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 9-coordinate geometry to six equivalent Yb and three equivalent Pb atoms. All Pd–Pb bond lengths are 2.91 Å. In the second Pd site, Pd is bonded in a 9-coordinate geometry to three equivalent Yb and six equivalent Pb atoms. All Pd–Pb bond lengths are 2.87 Å. Pb is bonded in a 10-coordinate geometry to six equivalent Yb and four Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on HoZnPd by Materials Project

HoPdZn crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Ho is bonded in a 11-coordinate geometry to five Pd and six equivalent Zn atoms. There are four shorter (2.93 Å) and one longer (2.95 Å) Ho–Pd bond lengths. There are two shorter (3.16 Å) and four longer (3.22 Å) Ho–Zn bond lengths. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 9-coordinate geometry to three equivalent Ho and six equivalent Zn atoms. All Pd–Zn bond lengths are 2.65 Å. In the second Pd site, Pd is bonded in a 9-coordinate geometry to six equivalent Ho and three equivalent Zn atoms. All Pd–Zn bond lengths are 2.78 Å. Zn is bonded in a 4-coordinate geometry to six equivalent Ho and four Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ErPdPb by Materials Project

ErPdPb crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Er is bonded in a 11-coordinate geometry to five Pd and six equivalent Pb atoms. There are four shorter (3.07 Å) and one longer (3.14 Å) Er–Pd bond lengths. There are two shorter (3.25 Å) and four longer (3.37 Å) Er–Pb bond lengths. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 9-coordinate geometry to six equivalent Er and three equivalent Pb atoms. All Pd–Pb bond lengths are 2.91 Å. In the second Pd site, Pd is bonded in a 9-coordinate geometry to three equivalent Er and six equivalent Pb atoms. All Pd–Pb bond lengths are 2.84 Å. Pb is bonded in a distorted q6 geometry to six equivalent Er and four Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on DyPdPb by Materials Project

DyPdPb 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 Pb atoms. There are four shorter (3.09 Å) and one longer (3.15 Å) Dy–Pd bond lengths. There are two shorter (3.27 Å) and four longer (3.39 Å) Dy–Pb bond lengths. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 9-coordinate geometry to six equivalent Dy and three equivalent Pb atoms. All Pd–Pb bond lengths are 2.92 Å. In the second Pd site, Pd is bonded in a 9-coordinate geometry to three equivalent Dy and six equivalent Pb atoms. All Pd–Pb bond lengths are 2.85 Å. Pb is bonded in a distorted q6 geometry to six equivalent Dy and four Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LuZnPd by Materials Project

LuPdZn crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Lu is bonded in a 11-coordinate geometry to five Pd and six equivalent Zn atoms. There are four shorter (2.90 Å) and one longer (2.94 Å) Lu–Pd bond lengths. There are two shorter (3.11 Å) and four longer (3.20 Å) Lu–Zn bond lengths. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 9-coordinate geometry to three equivalent Lu and six equivalent Zn atoms. All Pd–Zn bond lengths are 2.64 Å. In the second Pd site, Pd is bonded in a 9-coordinate geometry to six equivalent Lu and three equivalent Zn atoms. All Pd–Zn bond lengths are 2.75 Å. Zn is bonded in a 4-coordinate geometry to six equivalent Lu and four Pd atoms.

36 MATERIALS SCIENCE↗