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At least 235 records · Page 13
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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 Cr2InPd2 by Materials Project

Cr2Pd2In crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Cr is bonded in a 6-coordinate geometry to six equivalent Pd atoms. There are two shorter (2.66 Å) and four longer (2.71 Å) Cr–Pd bond lengths. Pd is bonded in a 8-coordinate geometry to six equivalent Cr and two equivalent In atoms. Both Pd–In bond lengths are 2.82 Å. In is bonded in a distorted square co-planar geometry to four equivalent Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Lu2CdPd2 by Materials Project

Lu2Pd2Cd 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 Cd atoms. There are two shorter (2.82 Å) and four longer (2.95 Å) Lu–Pd bond lengths. All Lu–Cd bond lengths are 3.37 Å. Pd is bonded in a 9-coordinate geometry to six equivalent Lu, one Pd, and two equivalent Cd atoms. The Pd–Pd bond length is 2.78 Å. Both Pd–Cd bond lengths are 3.01 Å. Cd is bonded to eight equivalent Lu and four equivalent Pd atoms to form a mixture of distorted face and corner-sharing CdLu8Pd4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ce2SnPd2 by Materials Project

Ce2Pd2Sn crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Ce is bonded in a 6-coordinate geometry to six equivalent Pd and four equivalent Sn atoms. There are two shorter (2.89 Å) and four longer (3.07 Å) Ce–Pd bond lengths. All Ce–Sn bond lengths are 3.45 Å. Pd is bonded in a 9-coordinate geometry to six equivalent Ce, one Pd, and two equivalent Sn atoms. The Pd–Pd bond length is 2.82 Å. Both Pd–Sn bond lengths are 3.06 Å. Sn is bonded to eight equivalent Ce and four equivalent Pd atoms to form a mixture of face and corner-sharing SnCe8Pd4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CeGa3Pd by Materials Project

CePdGa3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Ce is bonded in a 6-coordinate geometry to five equivalent Pd and twelve Ga atoms. There are a spread of Ce–Pd bond distances ranging from 3.29–3.66 Å. There are a spread of Ce–Ga bond distances ranging from 3.14–3.41 Å. Pd is bonded in a 5-coordinate geometry to five equivalent Ce and five Ga atoms. There are one shorter (2.47 Å) and four longer (2.54 Å) Pd–Ga bond lengths. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 1-coordinate geometry to four equivalent Ce, one Pd, and four equivalent Ga atoms. All Ga–Ga bond lengths are 2.65 Å. In the second Ga site, Ga is bonded in a distorted L-shaped geometry to four equivalent Ce, two equivalent Pd, and two equivalent Ga atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Hf2Pd by Materials Project

Hf2Pd crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. there are two inequivalent Hf sites. In the first Hf site, Hf is bonded in a 6-coordinate geometry to six equivalent Pd atoms. All Hf–Pd bond lengths are 2.77 Å. In the second Hf site, Hf is bonded in a 2-coordinate geometry to four equivalent Pd atoms. There are two shorter (2.79 Å) and two longer (3.20 Å) Hf–Pd bond lengths. Pd is bonded in a 9-coordinate geometry to nine Hf atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Y2InPd2 by Materials Project

Y2Pd2In crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Y is bonded in a 6-coordinate geometry to six equivalent Pd and four equivalent In atoms. There are two shorter (2.89 Å) and four longer (3.00 Å) Y–Pd bond lengths. All Y–In bond lengths are 3.43 Å. Pd is bonded in a 9-coordinate geometry to six equivalent Y, one Pd, and two equivalent In atoms. The Pd–Pd bond length is 2.79 Å. Both Pd–In bond lengths are 3.07 Å. In is bonded to eight equivalent Y and four equivalent Pd atoms to form a mixture of corner and face-sharing InY8Pd4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on MgPd3 by Materials Project

MgPd3 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Mg is bonded in a 6-coordinate geometry to six equivalent Pd atoms. All Mg–Pd bond lengths are 2.68 Å. There are five inequivalent Pd sites. In the first Pd site, Pd is bonded in a 12-coordinate geometry to three equivalent Mg and three equivalent Pd atoms. All Pd–Pd bond lengths are 2.83 Å. In the second Pd site, Pd is bonded to twelve Pd atoms to form a mixture of corner, edge, and face-sharing PdPd12 cuboctahedra. All Pd–Pd bond lengths are 2.87 Å. In the third Pd site, Pd is bonded in a 12-coordinate geometry to three equivalent Mg and three equivalent Pd atoms. All Pd–Mg bond lengths are 2.68 Å. All Pd–Pd bond lengths are 2.83 Å. In the fourth Pd site, Pd is bonded to sixteen Pd atoms to form a mixture of corner, edge, and face-sharing PdPd16 cuboctahedra. There are a spread of Pd–Pd bond distances ranging from 2.83–5.74 Å. In the fifth Pd site, Pd is bonded in a 12-coordinate geometry to three equivalent Mg and three equivalent Pd atoms. All Pd–Mg bond lengths are 2.68 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on EuGa3Pd by Materials Project

EuPdGa3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Eu is bonded in a 6-coordinate geometry to five equivalent Pd and twelve Ga atoms. There are a spread of Eu–Pd bond distances ranging from 3.29–3.67 Å. There are a spread of Eu–Ga bond distances ranging from 3.15–3.45 Å. Pd is bonded in a 5-coordinate geometry to five equivalent Eu and five Ga atoms. There are one shorter (2.50 Å) and four longer (2.57 Å) Pd–Ga bond lengths. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 1-coordinate geometry to four equivalent Eu, one Pd, and four equivalent Ga atoms. All Ga–Ga bond lengths are 2.66 Å. In the second Ga site, Ga is bonded in a distorted L-shaped geometry to four equivalent Eu, two equivalent Pd, and two equivalent Ga atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Nd2CdPd2 by Materials Project

Nd2Pd2Cd crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Nd is bonded in a 6-coordinate geometry to six equivalent Pd and four equivalent Cd atoms. There are two shorter (2.95 Å) and four longer (3.11 Å) Nd–Pd bond lengths. All Nd–Cd bond lengths are 3.51 Å. Pd is bonded in a 9-coordinate geometry to six equivalent Nd, one Pd, and two equivalent Cd atoms. The Pd–Pd bond length is 2.84 Å. Both Pd–Cd bond lengths are 3.09 Å. Cd is bonded to eight equivalent Nd and four equivalent Pd atoms to form a mixture of face and corner-sharing CdNd8Pd4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Eu2InPd2 by Materials Project

Eu2Pd2In crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Eu is bonded in a 6-coordinate geometry to six equivalent Pd and four equivalent In atoms. There are a spread of Eu–Pd bond distances ranging from 3.16–3.29 Å. There are a spread of Eu–In bond distances ranging from 3.52–3.56 Å. Pd is bonded in a 9-coordinate geometry to six equivalent Eu, one Pd, and two equivalent In atoms. The Pd–Pd bond length is 2.74 Å. There are one shorter (2.77 Å) and one longer (2.79 Å) Pd–In bond lengths. In is bonded in a 12-coordinate geometry to eight equivalent Eu and four equivalent Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ca2GaPd2 by Materials Project

Ca2Pd2Ga 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 3.07–3.14 Å. Pd is bonded in a 10-coordinate geometry to six equivalent Ca and two equivalent Ga atoms. There are one shorter (2.56 Å) and one longer (2.60 Å) Pd–Ga bond lengths. Ga is bonded in a 12-coordinate geometry to four equivalent Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Er2CdPd2 by Materials Project

Er2Pd2Cd 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 Cd atoms. There are two shorter (2.84 Å) and four longer (2.99 Å) Er–Pd bond lengths. All Er–Cd bond lengths are 3.39 Å. Pd is bonded in a 9-coordinate geometry to six equivalent Er, one Pd, and two equivalent Cd atoms. The Pd–Pd bond length is 2.76 Å. Both Pd–Cd bond lengths are 3.02 Å. Cd is bonded to eight equivalent Er and four equivalent Pd atoms to form a mixture of distorted face and corner-sharing CdEr8Pd4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sc2Pd by Materials Project

Sc2Pd crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. there are two inequivalent Sc sites. In the first Sc site, Sc is bonded in a 6-coordinate geometry to six equivalent Pd atoms. All Sc–Pd bond lengths are 2.76 Å. In the second Sc site, Sc is bonded in a 2-coordinate geometry to two equivalent Pd atoms. Both Sc–Pd bond lengths are 2.85 Å. Pd is bonded in a 9-coordinate geometry to six Sc atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ca2MgPd2 by Materials Project

Ca2MgPd2 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Ca is bonded in a 6-coordinate geometry to six equivalent Pd atoms. There are two shorter (3.13 Å) and four longer (3.14 Å) Ca–Pd bond lengths. Mg is bonded in a 4-coordinate geometry to four equivalent Pd atoms. All Mg–Pd bond lengths are 2.67 Å. Pd is bonded in a 2-coordinate geometry to six equivalent Ca and two equivalent Mg atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on BaPd by Materials Project

BaPd crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ba is bonded in a 6-coordinate geometry to six equivalent Pd atoms. All Ba–Pd bond lengths are 3.28 Å. Pd is bonded in a distorted body-centered cubic geometry to six equivalent Ba and two equivalent Pd atoms. Both Pd–Pd bond lengths are 2.83 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SrGa3Pd by Materials Project

SrPdGa3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Sr is bonded in a 6-coordinate geometry to five equivalent Pd and twelve Ga atoms. There are a spread of Sr–Pd bond distances ranging from 3.35–3.69 Å. There are a spread of Sr–Ga bond distances ranging from 3.21–3.49 Å. Pd is bonded in a 5-coordinate geometry to five equivalent Sr and five Ga atoms. There are one shorter (2.54 Å) and four longer (2.58 Å) Pd–Ga bond lengths. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 1-coordinate geometry to four equivalent Sr, one Pd, and four equivalent Ga atoms. All Ga–Ga bond lengths are 2.69 Å. In the second Ga site, Ga is bonded in a distorted L-shaped geometry to four equivalent Sr, two equivalent Pd, and two equivalent Ga atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Tm2CdPd2 by Materials Project

Tm2Pd2Cd crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Tm is bonded in a 6-coordinate geometry to six equivalent Pd and four equivalent Cd atoms. There are two shorter (2.83 Å) and four longer (2.98 Å) Tm–Pd bond lengths. All Tm–Cd bond lengths are 3.38 Å. Pd is bonded in a 9-coordinate geometry to six equivalent Tm, one Pd, and two equivalent Cd atoms. The Pd–Pd bond length is 2.80 Å. Both Pd–Cd bond lengths are 3.01 Å. Cd is bonded to eight equivalent Tm and four equivalent Pd atoms to form a mixture of distorted face and corner-sharing CdTm8Pd4 cuboctahedra.

36 MATERIALS SCIENCE↗