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At least 1,747 records · Page 97
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DOE OSTI2020

Materials Data on HoCu4Pd by Materials Project

HoPdCu4 is Hexagonal Laves-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Ho is bonded in a 12-coordinate geometry to four equivalent Pd and twelve equivalent Cu atoms. All Ho–Pd bond lengths are 3.05 Å. All Ho–Cu bond lengths are 2.92 Å. Pd is bonded in a 4-coordinate geometry to four equivalent Ho and twelve equivalent Cu atoms. All Pd–Cu bond lengths are 2.92 Å. Cu is bonded to three equivalent Ho, three equivalent Pd, and six equivalent Cu atoms to form a mixture of edge, face, and corner-sharing CuHo3Cu6Pd3 cuboctahedra. There are three shorter (2.47 Å) and three longer (2.50 Å) Cu–Cu bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PrSbPd by Materials Project

PrPdSb crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Pr is bonded in a 12-coordinate geometry to six equivalent Pd and six equivalent Sb atoms. There are three shorter (3.11 Å) and three longer (3.60 Å) Pr–Pd bond lengths. There are three shorter (3.26 Å) and three longer (3.42 Å) Pr–Sb bond lengths. Pd is bonded in a 6-coordinate geometry to six equivalent Pr and four equivalent Sb atoms. There are three shorter (2.74 Å) and one longer (3.42 Å) Pd–Sb bond lengths. Sb is bonded in a 10-coordinate geometry to six equivalent Pr and four equivalent Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CeSbPd by Materials Project

CePdSb crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Ce is bonded in a 12-coordinate geometry to six equivalent Pd and six equivalent Sb atoms. There are three shorter (3.03 Å) and three longer (3.64 Å) Ce–Pd bond lengths. There are three shorter (3.23 Å) and three longer (3.39 Å) Ce–Sb bond lengths. Pd is bonded in a 10-coordinate geometry to six equivalent Ce and four equivalent Sb atoms. There are three shorter (2.79 Å) and one longer (3.14 Å) Pd–Sb bond lengths. Sb is bonded in a 10-coordinate geometry to six equivalent Ce and four equivalent Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TiGaPd by Materials Project

TiPdGa crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ti is bonded in a 12-coordinate geometry to two equivalent Ti, six equivalent Pd, and six equivalent Ga atoms. Both Ti–Ti bond lengths are 2.70 Å. All Ti–Pd bond lengths are 2.90 Å. All Ti–Ga bond lengths are 2.90 Å. Pd is bonded in a 11-coordinate geometry to six equivalent Ti and five equivalent Ga atoms. There are three shorter (2.57 Å) and two longer (2.70 Å) Pd–Ga bond lengths. Ga is bonded in a 5-coordinate geometry to six equivalent Ti and five equivalent Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on BaIn2Pd by Materials Project

BaPdIn2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Ba is bonded in a 1-coordinate geometry to three equivalent Pd and ten equivalent In atoms. There are one shorter (3.25 Å) and two longer (3.54 Å) Ba–Pd bond lengths. There are a spread of Ba–In bond distances ranging from 3.67–3.80 Å. Pd is bonded in a 9-coordinate geometry to three equivalent Ba and six equivalent In atoms. There are two shorter (2.83 Å) and four longer (2.88 Å) Pd–In bond lengths. In is bonded in a 3-coordinate geometry to five equivalent Ba, three equivalent Pd, and three equivalent In atoms. There are one shorter (3.15 Å) and two longer (3.20 Å) In–In bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on EuAsPd by Materials Project

EuPdAs is hexagonal omega structure-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Eu is bonded to six equivalent Pd and six equivalent As atoms to form a mixture of edge and face-sharing EuAs6Pd6 cuboctahedra. All Eu–Pd bond lengths are 3.27 Å. All Eu–As bond lengths are 3.27 Å. Pd is bonded in a 9-coordinate geometry to six equivalent Eu and three equivalent As atoms. All Pd–As bond lengths are 2.50 Å. As is bonded in a 9-coordinate geometry to six equivalent Eu and three equivalent Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TbPd2Pb by Materials Project

TbPd2Pb is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Tb is bonded in a distorted body-centered cubic geometry to eight equivalent Pd and six equivalent Pb atoms. All Tb–Pd bond lengths are 2.99 Å. All Tb–Pb bond lengths are 3.46 Å. Pd is bonded in a distorted body-centered cubic geometry to four equivalent Tb and four equivalent Pb atoms. All Pd–Pb bond lengths are 2.99 Å. Pb is bonded in a 8-coordinate geometry to six equivalent Tb and eight equivalent Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on DyGePd2 by Materials Project

DyPd2Ge is delta Molybdenum Boride-derived structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Dy is bonded in a 11-coordinate geometry to eight equivalent Pd and three equivalent Ge atoms. There are a spread of Dy–Pd bond distances ranging from 3.04–3.17 Å. There are a spread of Dy–Ge bond distances ranging from 3.00–3.07 Å. Pd is bonded in a 12-coordinate geometry to four equivalent Dy and three equivalent Ge atoms. There are a spread of Pd–Ge bond distances ranging from 2.54–2.67 Å. Ge is bonded in a 9-coordinate geometry to three equivalent Dy and six equivalent Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LaYbPd2 by Materials Project

YbLaPd2 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 3.11 Å. La is bonded in a body-centered cubic geometry to eight equivalent Pd atoms. All La–Pd bond lengths are 3.11 Å. Pd is bonded in a body-centered cubic geometry to four equivalent Yb and four equivalent La atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NaBiPd2 by Materials Project

NaPd2Bi is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Na is bonded in a distorted body-centered cubic geometry to eight equivalent Pd and six equivalent Bi atoms. All Na–Pd bond lengths are 2.94 Å. All Na–Bi bond lengths are 3.39 Å. Pd is bonded in a distorted body-centered cubic geometry to four equivalent Na and four equivalent Bi atoms. All Pd–Bi bond lengths are 2.94 Å. Bi is bonded in a 8-coordinate geometry to six equivalent Na and eight equivalent Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on MnAgPd2 by Materials Project

MnPd2Ag crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two MnPd2Ag ribbons oriented in the (1, 0, 0) direction. Mn is bonded in a linear geometry to two equivalent Pd atoms. Both Mn–Pd bond lengths are 2.36 Å. Pd is bonded in a linear geometry to one Mn and one Ag atom. The Pd–Ag bond length is 2.66 Å. Ag is bonded in a linear geometry to two equivalent Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ca3Pd by Materials Project

Ca3Pd is Cementite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Ca sites. In the first Ca site, Ca is bonded in a 2-coordinate geometry to three equivalent Pd atoms. There are a spread of Ca–Pd bond distances ranging from 2.97–3.42 Å. In the second Ca site, Ca is bonded in a bent 150 degrees geometry to two equivalent Pd atoms. There are one shorter (2.89 Å) and one longer (2.99 Å) Ca–Pd bond lengths. Pd is bonded in a 6-coordinate geometry to eight Ca atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on DyPd2Pb by Materials Project

DyPd2Pb is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Dy is bonded in a distorted body-centered cubic geometry to eight equivalent Pd and six equivalent Pb atoms. All Dy–Pd bond lengths are 2.99 Å. All Dy–Pb bond lengths are 3.45 Å. Pd is bonded in a body-centered cubic geometry to four equivalent Dy and four equivalent Pb atoms. All Pd–Pb bond lengths are 2.99 Å. Pb is bonded in a 8-coordinate geometry to six equivalent Dy and eight equivalent Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CaBPd3 by Materials Project

CaPd3B is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ca is bonded to twelve equivalent Pd atoms to form CaPd12 cuboctahedra that share corners with twelve equivalent CaPd12 cuboctahedra, faces with six equivalent CaPd12 cuboctahedra, and faces with eight equivalent BPd6 octahedra. All Ca–Pd bond lengths are 3.05 Å. Pd is bonded to four equivalent Ca and two equivalent B atoms to form a mixture of distorted edge, face, and corner-sharing PdCa4B2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°. Both Pd–B bond lengths are 2.15 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 CaPd12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Mo3PdPtN by Materials Project

PdPtMo3N crystallizes in the cubic P2_13 space group. The structure is three-dimensional. Mo is bonded in a bent 150 degrees geometry to three equivalent Pt, three equivalent Pd, and two equivalent N atoms. There are one shorter (2.78 Å) and two longer (2.91 Å) Mo–Pt bond lengths. There are a spread of Mo–Pd bond distances ranging from 2.77–2.92 Å. There are one shorter (2.15 Å) and one longer (2.18 Å) Mo–N bond lengths. Pt is bonded to nine equivalent Mo and three equivalent Pd atoms to form distorted PtMo9Pd3 cuboctahedra that share corners with six equivalent PtMo9Pd3 cuboctahedra, corners with nine equivalent PdMo9Pt3 cuboctahedra, edges with three equivalent NMo6 octahedra, faces with four equivalent PdMo9Pt3 cuboctahedra, faces with six equivalent PtMo9Pd3 cuboctahedra, and faces with four equivalent NMo6 octahedra. All Pt–Pd bond lengths are 2.60 Å. Pd is bonded to nine equivalent Mo and three equivalent Pt atoms to form distorted PdMo9Pt3 cuboctahedra that share corners with six equivalent PdMo9Pt3 cuboctahedra, corners with nine equivalent PtMo9Pd3 cuboctahedra, edges with three equivalent NMo6 octahedra, faces with four equivalent PtMo9Pd3 cuboctahedra, faces with six equivalent PdMo9Pt3 cuboctahedra, and faces with four equivalent NMo6 octahedra. N is bonded to six equivalent Mo atoms to form distorted NMo6 octahedra that share corners with six equivalent NMo6 octahedra, edges with three equivalent PtMo9Pd3 cuboctahedra, edges with three equivalent PdMo9Pt3 cuboctahedra, faces with four equivalent PtMo9Pd3 cuboctahedra, and faces with four equivalent PdMo9Pt3 cuboctahedra. The corner-sharing octahedral tilt angles are 26°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PrGaPd by Materials Project

PrPdGa crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Pr is bonded in a 1-coordinate geometry to five equivalent Pd and six equivalent Ga atoms. There are a spread of Pr–Pd bond distances ranging from 2.97–3.26 Å. There are a spread of Pr–Ga bond distances ranging from 3.14–3.35 Å. Pd is bonded in a 9-coordinate geometry to five equivalent Pr and four equivalent Ga atoms. There are two shorter (2.70 Å) and two longer (2.72 Å) Pd–Ga bond lengths. Ga is bonded in a 10-coordinate geometry to six equivalent Pr and four equivalent Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on UPd2Pb by Materials Project

UPd2Pb is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. U is bonded in a distorted body-centered cubic geometry to eight equivalent Pd and six equivalent Pb atoms. All U–Pd bond lengths are 3.00 Å. All U–Pb bond lengths are 3.46 Å. Pd is bonded in a body-centered cubic geometry to four equivalent U and four equivalent Pb atoms. All Pd–Pb bond lengths are 3.00 Å. Pb is bonded in a 8-coordinate geometry to six equivalent U and eight equivalent Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Cu11PdN4 by Materials Project

PdCu11N4 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Pd is bonded in a linear geometry to four equivalent Cu and two equivalent N atoms. All Pd–Cu bond lengths are 2.74 Å. Both Pd–N bond lengths are 1.90 Å. There are four inequivalent Cu sites. In the first Cu site, Cu is bonded in a linear geometry to four equivalent Cu and two equivalent N atoms. All Cu–Cu bond lengths are 2.54 Å. Both Cu–N bond lengths are 1.90 Å. In the second Cu site, Cu is bonded in a linear geometry to four equivalent Cu and two N atoms. All Cu–Cu bond lengths are 2.71 Å. There is one shorter (1.81 Å) and one longer (1.93 Å) Cu–N bond length. In the third Cu site, Cu is bonded in a linear geometry to four equivalent Cu and two equivalent N atoms. All Cu–Cu bond lengths are 2.64 Å. Both Cu–N bond lengths are 1.90 Å. In the fourth Cu site, Cu is bonded in a 8-coordinate geometry to one Pd and seven Cu atoms. There are three inequivalent N sites. In the first N site, N is bonded in a linear geometry to two equivalent Cu atoms. In the second N site, N is bonded to two equivalent Pd and four equivalent Cu atoms to form corner-sharing NCu4Pd2 octahedra. The corner-sharing octahedral tilt angles are 0°. In the third N site, N is bonded in a square co-planar geometry to four Cu atoms.

36 MATERIALS SCIENCE↗