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At least 1,099 records · Page 61
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DOE OSTI2020

Materials Data on Ce(AsPd)2 by Materials Project

Ce(PdAs)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ce is bonded in a 8-coordinate geometry to eight equivalent Pd and eight equivalent As atoms. All Ce–Pd bond lengths are 3.43 Å. All Ce–As bond lengths are 3.24 Å. Pd is bonded to four equivalent Ce, four equivalent Pd, and four equivalent As atoms to form a mixture of distorted corner, edge, and face-sharing PdCe4As4Pd4 cuboctahedra. All Pd–Pd bond lengths are 2.99 Å. All Pd–As bond lengths are 2.56 Å. As is bonded in a 9-coordinate geometry to four equivalent Ce, four equivalent Pd, and one As atom. The As–As bond length is 2.53 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NiTePd by Materials Project

PdNiTe crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Pd is bonded in a 11-coordinate geometry to two equivalent Pd, four equivalent Ni, and five equivalent Te atoms. Both Pd–Pd bond lengths are 3.09 Å. There are a spread of Pd–Ni bond distances ranging from 2.78–2.86 Å. There are a spread of Pd–Te bond distances ranging from 2.69–2.94 Å. Ni is bonded in a 10-coordinate geometry to four equivalent Pd, two equivalent Ni, and four equivalent Te atoms. Both Ni–Ni bond lengths are 2.60 Å. There are a spread of Ni–Te bond distances ranging from 2.52–2.64 Å. Te is bonded in a 9-coordinate geometry to five equivalent Pd and four equivalent Ni atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Pu2SnPd2 by Materials Project

Pu2Pd2Sn crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Pu is bonded in a 6-coordinate geometry to six equivalent Pd and four equivalent Sn atoms. There are two shorter (2.83 Å) and four longer (3.01 Å) Pu–Pd bond lengths. All Pu–Sn bond lengths are 3.39 Å. Pd is bonded in a 9-coordinate geometry to six equivalent Pu, one Pd, and two equivalent Sn atoms. The Pd–Pd bond length is 2.78 Å. Both Pd–Sn bond lengths are 2.97 Å. Sn is bonded to eight equivalent Pu and four equivalent Pd atoms to form a mixture of face and corner-sharing SnPu8Pd4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on U2InPd2 by Materials Project

U2Pd2In crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. U is bonded in a 6-coordinate geometry to six equivalent Pd and four equivalent In atoms. There are two shorter (2.86 Å) and four longer (3.01 Å) U–Pd bond lengths. All U–In bond lengths are 3.41 Å. Pd is bonded in a 9-coordinate geometry to six equivalent U, one Pd, and two equivalent In atoms. The Pd–Pd bond length is 2.84 Å. Both Pd–In bond lengths are 3.00 Å. In is bonded to eight equivalent U and four equivalent Pd atoms to form a mixture of face and corner-sharing InU8Pd4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Pr2Pd2Pb by Materials Project

Pr2Pd2Pb crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Pr is bonded in a 10-coordinate geometry to six equivalent Pd and four equivalent Pb atoms. There are two shorter (2.99 Å) and four longer (3.11 Å) Pr–Pd bond lengths. All Pr–Pb bond lengths are 3.54 Å. Pd is bonded in a 6-coordinate geometry to six equivalent Pr, one Pd, and two equivalent Pb atoms. The Pd–Pd bond length is 2.81 Å. Both Pd–Pb bond lengths are 3.22 Å. Pb is bonded to eight equivalent Pr and four equivalent Pd atoms to form a mixture of face and corner-sharing PbPr8Pd4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sm2Pd2Pb by Materials Project

Sm2Pd2Pb crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Sm is bonded in a 10-coordinate geometry to six equivalent Pd and four equivalent Pb atoms. There are two shorter (2.94 Å) and four longer (3.07 Å) Sm–Pd bond lengths. All Sm–Pb bond lengths are 3.49 Å. Pd is bonded in a 6-coordinate geometry to six equivalent Sm, one Pd, and two equivalent Pb atoms. The Pd–Pd bond length is 2.80 Å. Both Pd–Pb bond lengths are 3.15 Å. Pb is bonded to eight equivalent Sm and four equivalent Pd atoms to form a mixture of face and corner-sharing PbSm8Pd4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Nb5(AsPd)4 by Materials Project

Nb5Pd4As4 crystallizes in the tetragonal I4/m space group. The structure is three-dimensional. there are two inequivalent Nb sites. In the first Nb site, Nb is bonded in a 4-coordinate geometry to four equivalent Pd and five equivalent As atoms. There are a spread of Nb–Pd bond distances ranging from 2.98–3.12 Å. There are a spread of Nb–As bond distances ranging from 2.66–2.99 Å. In the second Nb site, Nb is bonded in a square co-planar geometry to four equivalent As atoms. All Nb–As bond lengths are 2.68 Å. Pd is bonded in a 12-coordinate geometry to four equivalent Nb, five equivalent Pd, and three equivalent As atoms. There are four shorter (2.92 Å) and one longer (3.13 Å) Pd–Pd bond lengths. There are two shorter (2.47 Å) and one longer (2.54 Å) Pd–As bond lengths. As is bonded in a 9-coordinate geometry to six Nb and three equivalent Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ho2InPd2 by Materials Project

Ho2Pd2In crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Ho is bonded in a 6-coordinate geometry to six equivalent Pd and four equivalent In atoms. There are two shorter (2.85 Å) and four longer (2.99 Å) Ho–Pd bond lengths. All Ho–In bond lengths are 3.40 Å. Pd is bonded in a 9-coordinate geometry to six equivalent Ho, one Pd, and two equivalent In atoms. The Pd–Pd bond length is 2.80 Å. Both Pd–In bond lengths are 3.04 Å. In is bonded to eight equivalent Ho and four equivalent Pd atoms to form a mixture of corner and face-sharing InHo8Pd4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ErPPd by Materials Project

ErPdP crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Er is bonded in a 11-coordinate geometry to six equivalent Pd and five equivalent P atoms. There are a spread of Er–Pd bond distances ranging from 3.00–3.27 Å. There are a spread of Er–P bond distances ranging from 2.82–2.90 Å. Pd is bonded to six equivalent Er, two equivalent Pd, and four equivalent P atoms to form a mixture of distorted corner, edge, and face-sharing PdEr6P4Pd2 cuboctahedra. Both Pd–Pd bond lengths are 3.00 Å. There are a spread of Pd–P bond distances ranging from 2.54–2.78 Å. P is bonded in a 9-coordinate geometry to five equivalent Er and four equivalent Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on HoAsPd by Materials Project

HoPdAs crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ho is bonded in a 11-coordinate geometry to six equivalent Pd and five equivalent As atoms. There are a spread of Ho–Pd bond distances ranging from 3.06–3.40 Å. There are a spread of Ho–As bond distances ranging from 2.91–2.99 Å. Pd is bonded to six equivalent Ho, two equivalent Pd, and four equivalent As atoms to form a mixture of distorted corner, edge, and face-sharing PdHo6As4Pd2 cuboctahedra. Both Pd–Pd bond lengths are 3.05 Å. There are a spread of Pd–As bond distances ranging from 2.63–2.82 Å. As is bonded in a 9-coordinate geometry to five equivalent Ho and four equivalent Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Y5(In2Pd)2 by Materials Project

Y5(PdIn2)2 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. there are three inequivalent Y sites. In the first Y site, Y is bonded in a 10-coordinate geometry to four equivalent Pd and six In atoms. All Y–Pd bond lengths are 2.99 Å. There are a spread of Y–In bond distances ranging from 3.34–3.41 Å. In the second Y site, Y is bonded in a 8-coordinate geometry to two equivalent Pd and six In atoms. Both Y–Pd bond lengths are 2.88 Å. There are a spread of Y–In bond distances ranging from 3.25–3.38 Å. In the third Y site, Y is bonded in a distorted body-centered cubic geometry to eight In atoms. There are four shorter (3.24 Å) and four longer (3.37 Å) Y–In bond lengths. Pd is bonded in a 9-coordinate geometry to six Y and three In atoms. There are a spread of Pd–In bond distances ranging from 2.97–3.31 Å. There are two inequivalent In sites. In the first In site, In is bonded in a 11-coordinate geometry to eight Y, two equivalent Pd, and one In atom. The In–In bond length is 3.36 Å. In the second In site, In is bonded in a 9-coordinate geometry to eight Y, one Pd, and one In atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Np2InPd2 by Materials Project

Np2Pd2In crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Np is bonded in a 6-coordinate geometry to six equivalent Pd and four equivalent In atoms. There are two shorter (2.87 Å) and four longer (3.02 Å) Np–Pd bond lengths. All Np–In bond lengths are 3.42 Å. Pd is bonded in a 9-coordinate geometry to six equivalent Np, one Pd, and two equivalent In atoms. The Pd–Pd bond length is 2.82 Å. Both Pd–In bond lengths are 3.01 Å. In is bonded to eight equivalent Np and four equivalent Pd atoms to form a mixture of face and corner-sharing InNp8Pd4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Yb2SnPd2 by Materials Project

Yb2Pd2Sn crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Yb is bonded in a 6-coordinate geometry to six equivalent Pd and four equivalent Sn atoms. There are two shorter (2.85 Å) and four longer (2.98 Å) Yb–Pd bond lengths. All Yb–Sn bond lengths are 3.40 Å. Pd is bonded in a 6-coordinate geometry to six equivalent Yb, one Pd, and two equivalent Sn atoms. The Pd–Pd bond length is 2.90 Å. Both Pd–Sn bond lengths are 2.95 Å. Sn is bonded to eight equivalent Yb and four equivalent Pd atoms to form a mixture of corner and face-sharing SnYb8Pd4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SmSbPd by Materials Project

SmPdSb crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Sm is bonded in a 12-coordinate geometry to one Sm, six equivalent Pd, and six equivalent Sb atoms. The Sm–Sm bond length is 3.21 Å. There are three shorter (3.13 Å) and three longer (3.45 Å) Sm–Pd bond lengths. There are three shorter (3.27 Å) and three longer (3.59 Å) Sm–Sb bond lengths. Pd is bonded in a 10-coordinate geometry to six equivalent Sm, three equivalent Pd, and one Sb atom. All Pd–Pd bond lengths are 2.94 Å. The Pd–Sb bond length is 2.85 Å. Sb is bonded in a 10-coordinate geometry to six equivalent Sm, one Pd, and three equivalent Sb atoms. All Sb–Sb bond lengths are 2.92 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ca2CdPd2 by Materials Project

Ca2Pd2Cd crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Ca is bonded in a 10-coordinate geometry to six equivalent Pd and four equivalent Cd atoms. There are two shorter (3.07 Å) and four longer (3.17 Å) Ca–Pd bond lengths. There are two shorter (3.45 Å) and two longer (3.46 Å) Ca–Cd bond lengths. Pd is bonded in a 9-coordinate geometry to six equivalent Ca, one Pd, and two equivalent Cd atoms. The Pd–Pd bond length is 2.72 Å. Both Pd–Cd bond lengths are 2.77 Å. Cd is bonded to eight equivalent Ca and four equivalent Pd atoms to form a mixture of distorted edge and face-sharing CdCa8Pd4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ZrGePd by Materials Project

ZrPdGe crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Zr is bonded in a 11-coordinate geometry to six equivalent Pd and five equivalent Ge atoms. There are a spread of Zr–Pd bond distances ranging from 3.02–3.23 Å. There are a spread of Zr–Ge bond distances ranging from 2.80–2.90 Å. Pd is bonded in a 12-coordinate geometry to six equivalent Zr, two equivalent Pd, and four equivalent Ge atoms. Both Pd–Pd bond lengths are 2.95 Å. There are a spread of Pd–Ge bond distances ranging from 2.55–2.66 Å. Ge is bonded in a 9-coordinate geometry to five equivalent Zr and four equivalent Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PrSiPd2 by Materials Project

PrPd2Si crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Pr is bonded in a 11-coordinate geometry to ten equivalent Pd and three equivalent Si atoms. There are a spread of Pr–Pd bond distances ranging from 3.02–3.63 Å. There are one shorter (3.10 Å) and two longer (3.12 Å) Pr–Si bond lengths. Pd is bonded in a 12-coordinate geometry to five equivalent Pr, four equivalent Pd, and three equivalent Si atoms. There are a spread of Pd–Pd bond distances ranging from 2.75–3.18 Å. There are a spread of Pd–Si bond distances ranging from 2.54–2.69 Å. Si is bonded in a 9-coordinate geometry to three equivalent Pr and six equivalent Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ce(PPd)2 by Materials Project

CePd2P2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ce is bonded in a 8-coordinate geometry to eight equivalent Pd and eight equivalent P atoms. All Ce–Pd bond lengths are 3.26 Å. All Ce–P bond lengths are 3.12 Å. Pd is bonded to four equivalent Ce, four equivalent Pd, and four equivalent P atoms to form a mixture of distorted face, edge, and corner-sharing PdCe4P4Pd4 cuboctahedra. All Pd–Pd bond lengths are 2.92 Å. All Pd–P bond lengths are 2.49 Å. P is bonded in a 9-coordinate geometry to four equivalent Ce, four equivalent Pd, and one P atom. The P–P bond length is 2.24 Å.

36 MATERIALS SCIENCE↗