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At least 1,495 records · Page 83
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DOE OSTI2020

Materials Data on CaIn2Pd by Materials Project

CaPdIn2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Ca is bonded in a 1-coordinate geometry to three equivalent Pd and ten equivalent In atoms. There are one shorter (2.97 Å) and two longer (3.20 Å) Ca–Pd bond lengths. There are a spread of Ca–In bond distances ranging from 3.40–3.52 Å. Pd is bonded in a 9-coordinate geometry to three equivalent Ca and six equivalent In atoms. There are two shorter (2.80 Å) and four longer (2.85 Å) Pd–In bond lengths. In is bonded in a 3-coordinate geometry to five equivalent Ca and three equivalent Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Eu2Si3Pd by Materials Project

Eu2PdSi3 is hexagonal omega structure-derived structured and crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. there are two inequivalent Eu sites. In the first Eu site, Eu is bonded to four equivalent Pd and eight equivalent Si atoms to form a mixture of face and edge-sharing EuSi8Pd4 cuboctahedra. All Eu–Pd bond lengths are 3.23 Å. All Eu–Si bond lengths are 3.25 Å. In the second Eu site, Eu is bonded to twelve equivalent Si atoms to form a mixture of face and edge-sharing EuSi12 cuboctahedra. All Eu–Si bond lengths are 3.21 Å. Pd is bonded in a 3-coordinate geometry to six equivalent Eu and three equivalent Si atoms. All Pd–Si bond lengths are 2.44 Å. Si is bonded in a 1-coordinate geometry to six Eu, one Pd, and two equivalent Si atoms. Both Si–Si bond lengths are 2.37 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on MnTePd by Materials Project

PdMnTe is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Mn is bonded to four equivalent Pd and six equivalent Te atoms to form a mixture of distorted corner and face-sharing MnTe6Pd4 tetrahedra. All Mn–Pd bond lengths are 2.75 Å. All Mn–Te bond lengths are 3.17 Å. Pd is bonded in a body-centered cubic geometry to four equivalent Mn and four equivalent Te atoms. All Pd–Te bond lengths are 2.75 Å. Te is bonded in a 10-coordinate geometry to six equivalent Mn and four equivalent Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Bi2Pd3S2 by Materials Project

Pd3Bi2S2 crystallizes in the cubic I2_13 space group. The structure is three-dimensional. Pd is bonded in a 2-coordinate geometry to four equivalent Bi and two equivalent S atoms. There are two shorter (2.82 Å) and two longer (3.12 Å) Pd–Bi bond lengths. Both Pd–S bond lengths are 2.35 Å. Bi is bonded in a 3-coordinate geometry to six equivalent Pd and one S atom. The Bi–S bond length is 3.32 Å. S is bonded in a 3-coordinate geometry to three equivalent Pd and one Bi atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on BiTePd by Materials Project

PdBiTe is Spinel-like structured and crystallizes in the cubic P2_13 space group. The structure is three-dimensional. Pd is bonded to three equivalent Bi and three equivalent Te atoms to form PdBi3Te3 octahedra that share corners with twelve equivalent PdBi3Te3 octahedra, corners with three equivalent BiTePd3 trigonal pyramids, and corners with three equivalent TeBiPd3 trigonal pyramids. The corner-sharing octahedra tilt angles range from 62–63°. All Pd–Bi bond lengths are 2.82 Å. All Pd–Te bond lengths are 2.77 Å. Bi is bonded to three equivalent Pd and one Te atom to form BiTePd3 trigonal pyramids that share corners with three equivalent PdBi3Te3 octahedra, corners with six equivalent BiTePd3 trigonal pyramids, and corners with nine equivalent TeBiPd3 trigonal pyramids. The corner-sharing octahedral tilt angles are 81°. The Bi–Te bond length is 3.03 Å. Te is bonded to three equivalent Pd and one Bi atom to form TeBiPd3 trigonal pyramids that share corners with three equivalent PdBi3Te3 octahedra, corners with six equivalent TeBiPd3 trigonal pyramids, and corners with nine equivalent BiTePd3 trigonal pyramids. The corner-sharing octahedral tilt angles are 81°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LiGePd2 by Materials Project

LiPd2Ge is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Li is bonded in a body-centered cubic geometry to eight equivalent Pd and six equivalent Ge atoms. All Li–Pd bond lengths are 2.64 Å. All Li–Ge bond lengths are 3.04 Å. Pd is bonded in a distorted body-centered cubic geometry to four equivalent Li and four equivalent Ge atoms. All Pd–Ge bond lengths are 2.64 Å. Ge is bonded in a 8-coordinate geometry to six equivalent Li and eight equivalent Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PrBPd3 by Materials Project

PrPd3B is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Pr is bonded to twelve equivalent Pd atoms to form PrPd12 cuboctahedra that share corners with twelve equivalent PrPd12 cuboctahedra, faces with six equivalent PrPd12 cuboctahedra, and faces with eight equivalent BPd6 octahedra. All Pr–Pd bond lengths are 3.11 Å. Pd is bonded to four equivalent Pr and two equivalent B atoms to form a mixture of distorted corner, edge, and face-sharing PdPr4B2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°. Both Pd–B bond lengths are 2.20 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 PrPd12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ba4Ge20Pd3 by Materials Project

Ba4Pd3Ge20 crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. there are two inequivalent Ba sites. In the first Ba site, Ba is bonded in a 8-coordinate geometry to twenty Ge atoms. There are eight shorter (3.46 Å) and twelve longer (3.67 Å) Ba–Ge bond lengths. In the second Ba site, Ba is bonded in a 12-coordinate geometry to four equivalent Pd and eight equivalent Ge atoms. All Ba–Pd bond lengths are 3.86 Å. All Ba–Ge bond lengths are 3.63 Å. Pd is bonded to four equivalent Ba and four equivalent Ge atoms to form a mixture of edge and corner-sharing PdBa4Ge4 tetrahedra. All Pd–Ge bond lengths are 2.48 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 5-coordinate geometry to one Ba and four Ge atoms. There are one shorter (2.53 Å) and three longer (2.56 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded in a 1-coordinate geometry to three Ba, one Pd, and two equivalent Ge atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TbBPd3 by Materials Project

TbPd3B is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Tb is bonded to twelve equivalent Pd atoms to form TbPd12 cuboctahedra that share corners with twelve equivalent TbPd12 cuboctahedra, faces with six equivalent TbPd12 cuboctahedra, and faces with eight equivalent BPd6 octahedra. All Tb–Pd bond lengths are 3.06 Å. Pd is bonded to four equivalent Tb and two equivalent B atoms to form a mixture of distorted edge, corner, and face-sharing PdTb4B2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°. Both Pd–B bond lengths are 2.16 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 TbPd12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CaSnPd by Materials Project

CaPdSn crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ca is bonded in a 11-coordinate geometry to five equivalent Pd and six equivalent Sn atoms. There are a spread of Ca–Pd bond distances ranging from 3.12–3.30 Å. There are a spread of Ca–Sn bond distances ranging from 3.31–3.41 Å. Pd is bonded in a 9-coordinate geometry to five equivalent Ca and four equivalent Sn atoms. There are a spread of Pd–Sn bond distances ranging from 2.74–2.81 Å. Sn is bonded in a 10-coordinate geometry to six equivalent Ca and four equivalent Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YBiPd2 by Materials Project

YPd2Bi is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Y is bonded in a body-centered cubic geometry to eight equivalent Pd and six equivalent Bi atoms. All Y–Pd bond lengths are 3.01 Å. All Y–Bi bond lengths are 3.48 Å. Pd is bonded in a body-centered cubic geometry to four equivalent Y and four equivalent Bi atoms. All Pd–Bi bond lengths are 3.01 Å. Bi is bonded in a distorted body-centered cubic geometry to six equivalent Y and eight equivalent Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YbBiPd by Materials Project

YbPdBi is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Yb is bonded to four equivalent Pd and six equivalent Bi atoms to form a mixture of distorted corner and face-sharing YbBi6Pd4 tetrahedra. All Yb–Pd bond lengths are 2.93 Å. All Yb–Bi bond lengths are 3.39 Å. Pd is bonded in a body-centered cubic geometry to four equivalent Yb and four equivalent Bi atoms. All Pd–Bi bond lengths are 2.93 Å. Bi is bonded in a 10-coordinate geometry to six equivalent Yb and four equivalent Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on DyInPd2 by Materials Project

DyPd2In is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Dy is bonded in a body-centered cubic geometry to eight equivalent Pd atoms. All Dy–Pd bond lengths are 2.95 Å. Pd is bonded in a body-centered cubic geometry to four equivalent Dy and four equivalent In atoms. All Pd–In bond lengths are 2.95 Å. In is bonded in a distorted body-centered cubic geometry to eight equivalent Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on DySnPd by Materials Project

DyPdSn crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Dy is bonded in a 12-coordinate geometry to six equivalent Pd and six equivalent Sn atoms. There are a spread of Dy–Pd bond distances ranging from 3.12–3.41 Å. There are a spread of Dy–Sn bond distances ranging from 3.21–3.33 Å. Pd is bonded in a 10-coordinate geometry to six equivalent Dy and four equivalent Sn atoms. There are a spread of Pd–Sn bond distances ranging from 2.70–2.89 Å. Sn is bonded in a 10-coordinate geometry to six equivalent Dy and four equivalent Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ScGaPd2 by Materials Project

ScPd2Ga 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 2.77 Å. Pd is bonded in a body-centered cubic geometry to four equivalent Sc and four equivalent Ga atoms. All Pd–Ga bond lengths are 2.77 Å. Ga is bonded in a distorted body-centered cubic geometry to eight equivalent Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on HoSnPd2 by Materials Project

HoPd2Sn is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ho is bonded in a body-centered cubic geometry to eight equivalent Pd and six equivalent Sn atoms. All Ho–Pd bond lengths are 2.94 Å. All Ho–Sn bond lengths are 3.39 Å. Pd is bonded in a body-centered cubic geometry to four equivalent Ho and four equivalent Sn atoms. All Pd–Sn bond lengths are 2.94 Å. Sn is bonded in a distorted body-centered cubic geometry to six equivalent Ho and eight equivalent Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LiPd2Pb by Materials Project

LiPd2Pb 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 eight equivalent Pd and six equivalent Pb atoms. All Li–Pd bond lengths are 2.81 Å. All Li–Pb bond lengths are 3.25 Å. Pd is bonded in a distorted body-centered cubic geometry to four equivalent Li and four equivalent Pb atoms. All Pd–Pb bond lengths are 2.81 Å. Pb is bonded in a 8-coordinate geometry to six equivalent Li and eight equivalent Pd atoms.

36 MATERIALS SCIENCE↗
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↗