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At least 973 records · Page 54
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DOE OSTI2020

Materials Data on Zn5Pd3 by Materials Project

Pd3Zn5 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a distorted body-centered cubic geometry to nine Zn atoms. There are eight shorter (2.66 Å) and one longer (3.07 Å) Pd–Zn bond lengths. In the second Pd site, Pd is bonded in a body-centered cubic geometry to eight equivalent Zn atoms. All Pd–Zn bond lengths are 2.66 Å. There are three inequivalent Zn sites. In the first Zn site, Zn is bonded in a 8-coordinate geometry to four equivalent Pd and four equivalent Zn atoms. All Zn–Zn bond lengths are 2.66 Å. In the second Zn site, Zn is bonded in a body-centered cubic geometry to eight Pd atoms. In the third Zn site, Zn is bonded in a 10-coordinate geometry to two equivalent Pd and eight equivalent Zn atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Rb3Pd by Materials Project

Rb4PdRb8Pd3 crystallizes in the tetragonal I4/mmm space group. The structure is two-dimensional and consists of two Rb4Pd clusters and two Rb8Pd3 sheets oriented in the (0, 0, 1) direction. In each Rb4Pd cluster, Rb is bonded in a single-bond geometry to one Pd atom. The Rb–Pd bond length is 3.16 Å. Pd is bonded in a square co-planar geometry to four equivalent Rb atoms. In each Rb8Pd3 sheet, Rb is bonded in a water-like geometry to two Pd atoms. There are one shorter (3.56 Å) and one longer (3.72 Å) Rb–Pd bond lengths. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a body-centered cubic geometry to eight equivalent Rb atoms. In the second Pd site, Pd is bonded in a 4-coordinate geometry to four equivalent Rb atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ca3Pd2 by Materials Project

Ca3Pd2 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. there are three inequivalent Ca sites. In the first Ca site, Ca is bonded in an octahedral geometry to six equivalent Pd atoms. All Ca–Pd bond lengths are 3.09 Å. In the second Ca site, Ca is bonded in a 6-coordinate geometry to six equivalent Pd atoms. There are three shorter (2.95 Å) and three longer (3.14 Å) Ca–Pd bond lengths. In the third Ca site, Ca is bonded in a 5-coordinate geometry to five equivalent Pd atoms. There are a spread of Ca–Pd bond distances ranging from 2.99–3.42 Å. Pd is bonded in a 9-coordinate geometry to eight Ca and one Pd atom. The Pd–Pd bond length is 2.88 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LaPdPb by Materials Project

LaPdPb 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 Pb atoms. There are four shorter (3.19 Å) and one longer (3.25 Å) La–Pd bond lengths. There are two shorter (3.40 Å) and four longer (3.54 Å) La–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 La and three equivalent Pb atoms. All Pd–Pb bond lengths are 3.01 Å. In the second Pd site, Pd is bonded in a 9-coordinate geometry to three equivalent La and six equivalent Pb atoms. All Pd–Pb bond lengths are 2.91 Å. Pb is bonded in a 10-coordinate geometry to six equivalent La and four Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Eu3Pd2 by Materials Project

Eu3Pd2 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. there are three inequivalent Eu sites. In the first Eu site, Eu is bonded in an octahedral geometry to six equivalent Pd atoms. All Eu–Pd bond lengths are 3.17 Å. In the second Eu site, Eu is bonded in a 6-coordinate geometry to six equivalent Pd atoms. There are three shorter (3.05 Å) and three longer (3.22 Å) Eu–Pd bond lengths. In the third Eu site, Eu is bonded in a 5-coordinate geometry to five equivalent Pd atoms. There are a spread of Eu–Pd bond distances ranging from 3.08–3.58 Å. Pd is bonded in a 9-coordinate geometry to eight Eu and one Pd atom. The Pd–Pd bond length is 2.95 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NdZnPd by Materials Project

NdPdZn crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Nd is bonded in a 11-coordinate geometry to five Pd and six equivalent Zn atoms. There are four shorter (3.02 Å) and one longer (3.05 Å) Nd–Pd bond lengths. There are two shorter (3.28 Å) and four longer (3.32 Å) Nd–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 Nd and six equivalent Zn atoms. All Pd–Zn bond lengths are 2.69 Å. In the second Pd site, Pd is bonded in a 9-coordinate geometry to six equivalent Nd and three equivalent Zn atoms. All Pd–Zn bond lengths are 2.89 Å. Zn is bonded in a 4-coordinate geometry to six equivalent Nd and four Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CeCdPd by Materials Project

CePdCd crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Ce is bonded in a 11-coordinate geometry to five Pd and six equivalent Cd atoms. There are four shorter (3.08 Å) and one longer (3.15 Å) Ce–Pd bond lengths. There are two shorter (3.29 Å) and four longer (3.41 Å) Ce–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 Ce and six equivalent Cd atoms. All Pd–Cd bond lengths are 2.79 Å. In the second Pd site, Pd is bonded in a 9-coordinate geometry to six equivalent Ce 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 Ce and four Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PrPdPb by Materials Project

PrPdPb 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 Pb atoms. There are four shorter (3.17 Å) and one longer (3.24 Å) Pr–Pd bond lengths. There are two shorter (3.36 Å) and four longer (3.52 Å) Pr–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 Pr and three equivalent Pb atoms. All Pd–Pb bond lengths are 2.99 Å. In the second Pd site, Pd is bonded in a 9-coordinate geometry to three equivalent Pr and six equivalent Pb atoms. All Pd–Pb bond lengths are 2.90 Å. Pb is bonded in a 10-coordinate geometry to six equivalent Pr and four Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NdCdPd by Materials Project

NdPdCd crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Nd is bonded in a 11-coordinate geometry to five Pd and six equivalent Cd atoms. There are four shorter (3.10 Å) and one longer (3.16 Å) Nd–Pd bond lengths. There are two shorter (3.33 Å) and four longer (3.42 Å) Nd–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 Nd and six equivalent Cd atoms. All Pd–Cd bond lengths are 2.81 Å. In the second Pd site, Pd is bonded in a 9-coordinate geometry to six equivalent Nd and three equivalent Cd atoms. All Pd–Cd bond lengths are 2.95 Å. Cd is bonded in a 4-coordinate geometry to six equivalent Nd and four Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YZnPd by Materials Project

YPdZn 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 Zn atoms. There are four shorter (2.94 Å) and one longer (3.00 Å) Y–Pd bond lengths. There are two shorter (3.16 Å) and four longer (3.25 Å) Y–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 Y 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 Y and three equivalent Zn atoms. All Pd–Zn bond lengths are 2.80 Å. Zn is bonded in a 4-coordinate geometry to six equivalent Y and four Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SmZnPd by Materials Project

SmPdZn 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 Zn atoms. There are four shorter (2.99 Å) and one longer (3.03 Å) Sm–Pd bond lengths. There are two shorter (3.24 Å) and four longer (3.30 Å) Sm–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 Sm and six equivalent Zn atoms. All Pd–Zn bond lengths are 2.68 Å. In the second Pd site, Pd is bonded in a 9-coordinate geometry to six equivalent Sm and three equivalent Zn atoms. All Pd–Zn bond lengths are 2.86 Å. Zn is bonded in a 4-coordinate geometry to six equivalent Sm and four Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ErZnPd by Materials Project

ErPdZn 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 Zn atoms. There are four shorter (2.92 Å) and one longer (2.97 Å) Er–Pd bond lengths. There are two shorter (3.13 Å) and four longer (3.22 Å) Er–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 Er 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 Er 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 Er and four Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Y3Pd2 by Materials Project

Y3Pd2 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. there are three inequivalent Y sites. In the first Y site, Y is bonded in an octahedral geometry to six equivalent Pd atoms. All Y–Pd bond lengths are 3.01 Å. In the second Y site, Y is bonded in a 6-coordinate geometry to six equivalent Pd atoms. There are three shorter (2.90 Å) and three longer (3.10 Å) Y–Pd bond lengths. In the third Y site, Y is bonded in a 5-coordinate geometry to five equivalent Pd atoms. There are a spread of Y–Pd bond distances ranging from 2.91–3.33 Å. Pd is bonded in a 9-coordinate geometry to eight Y and one Pd atom. The Pd–Pd bond length is 2.88 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TmZnPd by Materials Project

TmPdZn crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Tm is bonded in a 11-coordinate geometry to five Pd and six equivalent Zn atoms. There are four shorter (2.91 Å) and one longer (2.96 Å) Tm–Pd bond lengths. There are two shorter (3.11 Å) and four longer (3.21 Å) Tm–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 Tm 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 Tm and three equivalent Zn atoms. All Pd–Zn bond lengths are 2.76 Å. Zn is bonded in a 4-coordinate geometry to six equivalent Tm and four Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NaSn2Pd3 by Materials Project

NaPd3Sn2 crystallizes in the orthorhombic Cmm2 space group. The structure is three-dimensional. Na is bonded in a distorted hexagonal planar geometry to six Pd atoms. All Na–Pd bond lengths are 3.00 Å. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 6-coordinate geometry to two equivalent Na and four equivalent Sn atoms. There are two shorter (2.74 Å) and two longer (2.75 Å) Pd–Sn bond lengths. In the second Pd site, Pd is bonded in a 6-coordinate geometry to two equivalent Na and four equivalent Sn atoms. All Pd–Sn bond lengths are 2.74 Å. Sn is bonded in a 6-coordinate geometry to six Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YInPd by Materials Project

YPdIn 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 In atoms. There are four shorter (3.03 Å) and one longer (3.20 Å) Y–Pd bond lengths. There are two shorter (3.20 Å) and four longer (3.38 Å) Y–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 Y and six equivalent In atoms. All Pd–In bond lengths are 2.78 Å. In the second Pd site, Pd is bonded in a 9-coordinate geometry to six equivalent Y and three equivalent In atoms. All Pd–In bond lengths are 2.93 Å. In is bonded in a 10-coordinate geometry to six equivalent Y and four Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TbCdPd by Materials Project

TbPdCd 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 Cd atoms. There are four shorter (3.04 Å) and one longer (3.12 Å) Tb–Pd bond lengths. There are two shorter (3.24 Å) and four longer (3.36 Å) Tb–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 Tb and six equivalent Cd atoms. All Pd–Cd bond lengths are 2.78 Å. In the second Pd site, Pd is bonded in a 9-coordinate geometry to six equivalent Tb and three equivalent Cd atoms. All Pd–Cd bond lengths are 2.89 Å. Cd is bonded in a 10-coordinate geometry to six equivalent Tb and four Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on DyZnPd by Materials Project

DyPdZn 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 Zn atoms. There are four shorter (2.94 Å) and one longer (2.97 Å) Dy–Pd bond lengths. There are two shorter (3.15 Å) and four longer (3.23 Å) Dy–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 Dy 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 Dy and three equivalent Zn atoms. All Pd–Zn bond lengths are 2.79 Å. Zn is bonded in a 4-coordinate geometry to six equivalent Dy and four Pd atoms.

36 MATERIALS SCIENCE↗