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Materials Data on PdN2 by Materials Project

PdN2 is Fluorite structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Pd2+ is bonded in a body-centered cubic geometry to eight equivalent N1- atoms. All Pd–N bond lengths are 2.15 Å. N1- is bonded to four equivalent Pd2+ atoms to form a mixture of edge and corner-sharing NPd4 tetrahedra.

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Materials Data on PdN by Materials Project

PdN is Molybdenum Carbide MAX Phase-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Pd2+ is bonded to six equivalent N2- atoms to form a mixture of face, edge, and corner-sharing PdN6 octahedra. The corner-sharing octahedral tilt angles are 46°. All Pd–N bond lengths are 2.22 Å. N2- is bonded to six equivalent Pd2+ atoms to form a mixture of distorted edge and corner-sharing NPd6 pentagonal pyramids.

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Materials Data on PdN by Materials Project

PdN is Tungsten Carbide structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Pd2+ is bonded to six equivalent N2- atoms to form a mixture of distorted edge, face, and corner-sharing PdN6 pentagonal pyramids. All Pd–N bond lengths are 2.26 Å. N2- is bonded to six equivalent Pd2+ atoms to form a mixture of distorted edge, face, and corner-sharing NPd6 pentagonal pyramids.

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Materials Data on PdPbO2 by Materials Project

PbPdO2 crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Pd2+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Pd–O bond lengths are 2.06 Å. Pb2+ is bonded in a 4-coordinate geometry to four equivalent O2- atoms. All Pb–O bond lengths are 2.38 Å. O2- is bonded to two equivalent Pd2+ and two equivalent Pb2+ atoms to form a mixture of corner and edge-sharing OPd2Pb2 tetrahedra.

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Materials Data on CuPdO2 by Materials Project

PdCuO2 crystallizes in the orthorhombic Pmmm space group. The structure is three-dimensional. Pd2+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Pd–O bond lengths are 2.07 Å. Cu2+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Cu–O bond lengths are 1.96 Å. O2- is bonded to two equivalent Pd2+ and two equivalent Cu2+ atoms to form a mixture of edge and corner-sharing OCu2Pd2 tetrahedra.

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Materials Data on CuPdO2 by Materials Project

PdCuO2 crystallizes in the orthorhombic Pmna space group. The structure is three-dimensional. Pd2+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Pd–O bond lengths are 2.05 Å. Cu2+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Cu–O bond lengths are 1.97 Å. O2- is bonded to two equivalent Pd2+ and two equivalent Cu2+ atoms to form a mixture of corner and edge-sharing OCu2Pd2 tetrahedra.

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Materials Data on Sb8Pd3Au by Materials Project

Pd3AuSb8 is Pyrite-derived structured and crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Pd2+ is bonded to six Sb+0.62- atoms to form PdSb6 octahedra that share corners with four equivalent AuSb6 octahedra, corners with eight equivalent PdSb6 octahedra, and corners with two equivalent SbSbPd3 trigonal pyramids. The corner-sharing octahedra tilt angles range from 60–65°. There are a spread of Pd–Sb bond distances ranging from 2.71–2.74 Å. Au1- is bonded to six equivalent Sb+0.62- atoms to form AuSb6 octahedra that share corners with twelve equivalent PdSb6 octahedra. The corner-sharing octahedra tilt angles range from 64–65°. All Au–Sb bond lengths are 2.81 Å. There are two inequivalent Sb+0.62- sites. In the first Sb+0.62- site, Sb+0.62- is bonded to three equivalent Pd2+ and one Sb+0.62- atom to form distorted SbSbPd3 trigonal pyramids that share corners with three equivalent PdSb6 octahedra and corners with three equivalent SbSbPd3 trigonal pyramids. The corner-sharing octahedral tilt angles are 80°. The Sb–Sb bond length is 2.89 Å. In the second Sb+0.62- site, Sb+0.62- is bonded in a 4-coordinate geometry to two equivalent Pd2+, one Au1-, and one Sb+0.62- atom. The Sb–Sb bond length is 2.87 Å.

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Materials Data on PdO by Materials Project

PdO is Halite, Rock Salt structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Pd2+ is bonded to six equivalent O2- atoms to form a mixture of corner and edge-sharing PdO6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are four shorter (2.27 Å) and two longer (2.29 Å) Pd–O bond lengths. O2- is bonded to six equivalent Pd2+ atoms to form a mixture of corner and edge-sharing OPd6 octahedra. The corner-sharing octahedral tilt angles are 0°.

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Materials Data on AgPdO2 by Materials Project

PdAgO2 crystallizes in the orthorhombic Pmmm space group. The structure is three-dimensional. Pd2+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Pd–O bond lengths are 2.03 Å. Ag2+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Ag–O bond lengths are 2.21 Å. O2- is bonded to two equivalent Pd2+ and two equivalent Ag2+ atoms to form a mixture of edge and corner-sharing OAg2Pd2 tetrahedra.

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Materials Data on PdN by Materials Project

PdN is Halite, Rock Salt structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Pd2+ is bonded to six equivalent N2- atoms to form a mixture of edge and corner-sharing PdN6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are four shorter (2.22 Å) and two longer (2.23 Å) Pd–N bond lengths. N2- is bonded to six equivalent Pd2+ atoms to form a mixture of edge and corner-sharing NPd6 octahedra. The corner-sharing octahedral tilt angles are 0°.

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Materials Data on CdPd3O4 by Materials Project

CdPd3O4 crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. Pd2+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Pd–O bond lengths are 2.07 Å. Cd2+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Cd–O bond lengths are 2.53 Å. O2- is bonded to three equivalent Pd2+ and two equivalent Cd2+ atoms to form a mixture of corner and edge-sharing OCd2Pd3 trigonal bipyramids.

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Materials Data on Ag2PdCl4 by Materials Project

PdAg2Cl4 crystallizes in the orthorhombic Cmce space group. The structure is three-dimensional. Pd2+ is bonded in a square co-planar geometry to four Cl1- atoms. There are two shorter (2.33 Å) and two longer (2.34 Å) Pd–Cl bond lengths. Ag1+ is bonded to six Cl1- atoms to form a mixture of distorted edge and corner-sharing AgCl6 octahedra. The corner-sharing octahedra tilt angles range from 7–35°. There are a spread of Ag–Cl bond distances ranging from 2.65–3.12 Å. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted trigonal non-coplanar geometry to one Pd2+ and two equivalent Ag1+ atoms. In the second Cl1- site, Cl1- is bonded to one Pd2+ and four equivalent Ag1+ atoms to form a mixture of distorted edge and corner-sharing ClAg4Pd square pyramids.

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Materials Data on Tl2PdCl4 by Materials Project

PdTl2Cl4 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Pd2+ is bonded in a square co-planar geometry to four equivalent Cl1- atoms. All Pd–Cl bond lengths are 2.33 Å. Tl1+ is bonded in a body-centered cubic geometry to eight equivalent Cl1- atoms. All Tl–Cl bond lengths are 3.37 Å. Cl1- is bonded to one Pd2+ and four equivalent Tl1+ atoms to form a mixture of distorted corner, edge, and face-sharing ClTl4Pd square pyramids.

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Materials Data on SiPd2 by Materials Project

Pd2Si crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. there are two inequivalent Pd2+ sites. In the first Pd2+ site, Pd2+ is bonded to four Si4- atoms to form PdSi4 tetrahedra that share corners with ten equivalent PdSi4 tetrahedra, corners with six equivalent PdSi5 trigonal bipyramids, edges with two equivalent PdSi4 tetrahedra, and edges with six equivalent PdSi5 trigonal bipyramids. There are two shorter (2.43 Å) and two longer (2.47 Å) Pd–Si bond lengths. In the second Pd2+ site, Pd2+ is bonded to five Si4- atoms to form distorted PdSi5 trigonal bipyramids that share corners with six equivalent PdSi4 tetrahedra, corners with ten equivalent PdSi5 trigonal bipyramids, edges with six equivalent PdSi4 tetrahedra, and edges with six equivalent PdSi5 trigonal bipyramids. There are one shorter (2.58 Å) and four longer (2.67 Å) Pd–Si bond lengths. There are two inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a 9-coordinate geometry to nine Pd2+ atoms. In the second Si4- site, Si4- is bonded in a 9-coordinate geometry to nine Pd2+ atoms.

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Materials Data on PdC by Materials Project

PdC is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Pd2+ is bonded to six equivalent C2- atoms to form a mixture of corner and edge-sharing PdC6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Pd–C bond lengths are 2.22 Å. C2- is bonded to six equivalent Pd2+ atoms to form a mixture of corner and edge-sharing CPd6 octahedra. The corner-sharing octahedral tilt angles are 0°.

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Materials Data on Pd(AuF4)2 by Materials Project

Pd(AuF4)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Pd2+ is bonded in an octahedral geometry to six F1- atoms. There are a spread of Pd–F bond distances ranging from 2.17–2.19 Å. Au3+ is bonded in a rectangular see-saw-like geometry to four F1- atoms. There are a spread of Au–F bond distances ranging from 1.95–2.00 Å. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a bent 120 degrees geometry to one Pd2+ and one Au3+ atom. In the second F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Pd2+ and one Au3+ atom. In the third F1- site, F1- is bonded in a bent 120 degrees geometry to one Pd2+ and one Au3+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one Au3+ atom.

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Materials Data on CdPd2O3 by Materials Project

Pd2CdO3 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Pd2+ is bonded in a square co-planar geometry to four O2- atoms. There are two shorter (2.11 Å) and two longer (2.31 Å) Pd–O bond lengths. Cd2+ is bonded to six O2- atoms to form corner-sharing CdO6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are two shorter (2.11 Å) and four longer (2.31 Å) Cd–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a square co-planar geometry to two equivalent Pd2+ and two equivalent Cd2+ atoms. In the second O2- site, O2- is bonded to four equivalent Pd2+ and two equivalent Cd2+ atoms to form corner-sharing OCd2Pd4 octahedra. The corner-sharing octahedral tilt angles are 0°.

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Materials Data on PdPb2F6 by Materials Project

PdPb2F6 crystallizes in the orthorhombic Cmce space group. The structure is three-dimensional. Pd2+ is bonded in a square co-planar geometry to four equivalent F1- atoms. All Pd–F bond lengths are 2.01 Å. Pb2+ is bonded in a body-centered cubic geometry to eight F1- atoms. There are a spread of Pb–F bond distances ranging from 2.57–2.62 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted trigonal planar geometry to one Pd2+ and two equivalent Pb2+ atoms. In the second F1- site, F1- is bonded to four equivalent Pb2+ atoms to form a mixture of edge and corner-sharing FPb4 tetrahedra.

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