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At least 1,153 records · Page 64
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DOE OSTI2020

Materials Data on NdGaPd2 by Materials Project

NdPd2Ga crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Nd is bonded in a 11-coordinate geometry to ten equivalent Pd and three equivalent Ga atoms. There are a spread of Nd–Pd bond distances ranging from 3.09–3.71 Å. There are a spread of Nd–Ga bond distances ranging from 3.11–3.16 Å. Pd is bonded in a 12-coordinate geometry to five equivalent Nd, four equivalent Pd, and three equivalent Ga atoms. There are a spread of Pd–Pd bond distances ranging from 2.82–3.19 Å. There are a spread of Pd–Ga bond distances ranging from 2.57–2.69 Å. Ga is bonded in a 9-coordinate geometry to three equivalent Nd and six equivalent Pd atoms.

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 PrGaPd2 by Materials Project

PrPd2Ga 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 Ga atoms. There are a spread of Pr–Pd bond distances ranging from 3.10–3.73 Å. There are a spread of Pr–Ga bond distances ranging from 3.13–3.18 Å. Pd is bonded in a 12-coordinate geometry to five equivalent Pr, four equivalent Pd, and three equivalent Ga atoms. There are a spread of Pd–Pd bond distances ranging from 2.82–3.21 Å. There are a spread of Pd–Ga bond distances ranging from 2.59–2.69 Å. Ga is bonded in a 9-coordinate geometry to three equivalent Pr and six equivalent Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sm2Si3Pd by Materials Project

Sm2PdSi3 is hexagonal omega structure-derived structured and crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. there are two inequivalent Sm sites. In the first Sm site, Sm is bonded to two equivalent Pd and ten Si atoms to form a mixture of face and edge-sharing SmSi10Pd2 cuboctahedra. Both Sm–Pd bond lengths are 3.17 Å. There are a spread of Sm–Si bond distances ranging from 3.09–3.19 Å. In the second Sm site, Sm is bonded to four equivalent Pd and eight Si atoms to form a mixture of face and edge-sharing SmSi8Pd4 cuboctahedra. All Sm–Pd bond lengths are 3.19 Å. There are a spread of Sm–Si bond distances ranging from 3.10–3.18 Å. Pd is bonded in a 3-coordinate geometry to six Sm and three Si atoms. There are one shorter (2.38 Å) and two longer (2.41 Å) Pd–Si bond lengths. There are three inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to six Sm and three Si atoms. There are one shorter (2.36 Å) and two longer (2.39 Å) Si–Si bond lengths. In the second Si site, Si is bonded in a 2-coordinate geometry to six Sm, two equivalent Pd, and one Si atom. In the third Si site, Si is bonded in a 1-coordinate geometry to six Sm, one Pd, and two equivalent Si 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 Mn2CuSb2Pd by Materials Project

Mn2PdCuSb2 is half-Heusler-derived structured and crystallizes in the trigonal R3m space group. The structure is three-dimensional. there are two inequivalent Mn sites. In the first Mn site, Mn is bonded in a 4-coordinate geometry to one Pd, three equivalent Cu, and six Sb atoms. The Mn–Pd bond length is 2.68 Å. All Mn–Cu bond lengths are 2.67 Å. All Mn–Sb bond lengths are 3.07 Å. In the second Mn site, Mn is bonded in a 4-coordinate geometry to three equivalent Pd, one Cu, and six Sb atoms. All Mn–Pd bond lengths are 2.68 Å. The Mn–Cu bond length is 2.67 Å. There are three shorter (3.10 Å) and three longer (3.12 Å) Mn–Sb bond lengths. Pd is bonded in a body-centered cubic geometry to four Mn and four Sb atoms. There are three shorter (2.69 Å) and one longer (2.71 Å) Pd–Sb bond lengths. Cu is bonded in a body-centered cubic geometry to four Mn and four Sb atoms. There are one shorter (2.63 Å) and three longer (2.67 Å) Cu–Sb bond lengths. There are two inequivalent Sb sites. In the first Sb site, Sb is bonded in a 10-coordinate geometry to six Mn, three equivalent Pd, and one Cu atom. In the second Sb site, Sb is bonded in a 10-coordinate geometry to six Mn, one Pd, and three equivalent Cu atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TmGePd by Materials Project

TmPdGe crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Tm is bonded in a 12-coordinate geometry to six equivalent Pd and six equivalent Ge atoms. There are a spread of Tm–Pd bond distances ranging from 3.04–3.18 Å. There are a spread of Tm–Ge bond distances ranging from 3.05–3.24 Å. Pd is bonded in a 10-coordinate geometry to six equivalent Tm, one Pd, and three equivalent Ge atoms. The Pd–Pd bond length is 2.83 Å. There are two shorter (2.52 Å) and one longer (2.77 Å) Pd–Ge bond lengths. Ge is bonded in a 10-coordinate geometry to six equivalent Tm, three equivalent Pd, and one Ge atom. The Ge–Ge bond length is 2.57 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on U2NiGe2Pd by Materials Project

U2PdNiGe2 crystallizes in the orthorhombic Pmc2_1 space group. The structure is three-dimensional. there are two inequivalent U sites. In the first U site, U is bonded in a 12-coordinate geometry to four equivalent Pd, two equivalent Ni, and six Ge atoms. There are two shorter (3.00 Å) and two longer (3.17 Å) U–Pd bond lengths. There are one shorter (2.93 Å) and one longer (3.07 Å) U–Ni bond lengths. There are a spread of U–Ge bond distances ranging from 3.05–3.24 Å. In the second U site, U is bonded in a 12-coordinate geometry to two equivalent Pd, four equivalent Ni, and six Ge atoms. There are one shorter (2.99 Å) and one longer (3.10 Å) U–Pd bond lengths. There are two shorter (2.96 Å) and two longer (3.27 Å) U–Ni bond lengths. There are a spread of U–Ge bond distances ranging from 2.97–3.05 Å. Pd is bonded in a 10-coordinate geometry to six U and four Ge atoms. There are a spread of Pd–Ge bond distances ranging from 2.60–2.77 Å. Ni is bonded in a 10-coordinate geometry to six U and four Ge atoms. There are a spread of Ni–Ge bond distances ranging from 2.50–2.66 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 10-coordinate geometry to six U, two equivalent Pd, and two equivalent Ni atoms. In the second Ge site, Ge is bonded in a 10-coordinate geometry to six U, two equivalent Pd, and two equivalent Ni atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PrSbPd by Materials Project

PrPdSb crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Pr is bonded in a 12-coordinate geometry to one Pr, six equivalent Pd, and six equivalent Sb atoms. The Pr–Pr bond length is 3.21 Å. There are three shorter (3.15 Å) and three longer (3.48 Å) Pr–Pd bond lengths. There are three shorter (3.32 Å) and three longer (3.63 Å) Pr–Sb bond lengths. Pd is bonded in a 10-coordinate geometry to six equivalent Pr, three equivalent Pd, and one Sb atom. All Pd–Pd bond lengths are 2.97 Å. The Pd–Sb bond length is 2.91 Å. Sb is bonded in a 10-coordinate geometry to six equivalent Pr, one Pd, and three equivalent Sb atoms. All Sb–Sb bond lengths are 2.94 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Pd7O8 by Materials Project

Pd7O8 crystallizes in the cubic Pm-3 space group. The structure is three-dimensional. there are two inequivalent Pd+2.29+ sites. In the first Pd+2.29+ site, Pd+2.29+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Pd–O bond lengths are 2.35 Å. In the second Pd+2.29+ site, Pd+2.29+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Pd–O bond lengths are 2.04 Å. O2- is bonded to four Pd+2.29+ atoms to form a mixture of edge and corner-sharing OPd4 trigonal pyramids.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on DyGePd by Materials Project

DyPdGe crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Dy is bonded in a 12-coordinate geometry to six equivalent Pd and six equivalent Ge atoms. There are a spread of Dy–Pd bond distances ranging from 3.06–3.19 Å. There are a spread of Dy–Ge bond distances ranging from 3.07–3.23 Å. Pd is bonded in a 10-coordinate geometry to six equivalent Dy, one Pd, and three equivalent Ge atoms. The Pd–Pd bond length is 2.84 Å. There are two shorter (2.53 Å) and one longer (2.81 Å) Pd–Ge bond lengths. Ge is bonded in a 10-coordinate geometry to six equivalent Dy, three equivalent Pd, and one Ge atom. The Ge–Ge bond length is 2.59 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ZnPd2 by Materials Project

Pd2Zn is Cotunnite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 3-coordinate geometry to five equivalent Zn atoms. There are a spread of Pd–Zn bond distances ranging from 2.64–2.92 Å. In the second Pd site, Pd is bonded in a 5-coordinate geometry to five equivalent Zn atoms. There are a spread of Pd–Zn bond distances ranging from 2.59–2.77 Å. Zn is bonded in a 10-coordinate geometry to ten Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on HoSiPd2 by Materials Project

HoPd2Si is delta Molybdenum Boride-derived structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ho is bonded in a 11-coordinate geometry to ten equivalent Pd and three equivalent Si atoms. There are a spread of Ho–Pd bond distances ranging from 2.96–3.53 Å. There are two shorter (2.98 Å) and one longer (3.03 Å) Ho–Si bond lengths. Pd is bonded in a 12-coordinate geometry to five equivalent Ho, four equivalent Pd, and three equivalent Si atoms. There are a spread of Pd–Pd bond distances ranging from 2.78–3.05 Å. There are a spread of Pd–Si bond distances ranging from 2.49–2.62 Å. Si is bonded in a 9-coordinate geometry to three equivalent Ho and six equivalent Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CePd2Pt by Materials Project

CePtPd2 is Uranium Silicide-derived structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Ce is bonded to four equivalent Pt and eight equivalent Pd atoms to form CePd8Pt4 cuboctahedra that share corners with twelve equivalent CePd8Pt4 cuboctahedra, edges with eight equivalent PtCe4Pd8 cuboctahedra, edges with sixteen equivalent PdCe4Pd4Pt4 cuboctahedra, faces with four equivalent PtCe4Pd8 cuboctahedra, faces with six equivalent CePd8Pt4 cuboctahedra, and faces with eight equivalent PdCe4Pd4Pt4 cuboctahedra. All Ce–Pt bond lengths are 2.95 Å. All Ce–Pd bond lengths are 2.95 Å. Pt is bonded to four equivalent Ce and eight equivalent Pd atoms to form PtCe4Pd8 cuboctahedra that share corners with twelve equivalent PtCe4Pd8 cuboctahedra, edges with eight equivalent CePd8Pt4 cuboctahedra, edges with sixteen equivalent PdCe4Pd4Pt4 cuboctahedra, faces with four equivalent CePd8Pt4 cuboctahedra, faces with six equivalent PtCe4Pd8 cuboctahedra, and faces with eight equivalent PdCe4Pd4Pt4 cuboctahedra. All Pt–Pd bond lengths are 2.95 Å. Pd is bonded to four equivalent Ce, four equivalent Pt, and four equivalent Pd atoms to form distorted PdCe4Pd4Pt4 cuboctahedra that share corners with twelve equivalent PdCe4Pd4Pt4 cuboctahedra, edges with eight equivalent CePd8Pt4 cuboctahedra, edges with eight equivalent PtCe4Pd8 cuboctahedra, edges with eight equivalent PdCe4Pd4Pt4 cuboctahedra, faces with four equivalent CePd8Pt4 cuboctahedra, faces with four equivalent PtCe4Pd8 cuboctahedra, and faces with ten equivalent PdCe4Pd4Pt4 cuboctahedra. All Pd–Pd bond lengths are 2.95 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Y(PPd)2 by Materials Project

YPd2P2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Y is bonded in a 8-coordinate geometry to eight equivalent Pd and eight equivalent P atoms. All Y–Pd bond lengths are 3.22 Å. All Y–P bond lengths are 3.10 Å. Pd is bonded to four equivalent Y, four equivalent Pd, and four equivalent P atoms to form a mixture of distorted corner, edge, and face-sharing PdY4P4Pd4 cuboctahedra. All Pd–Pd bond lengths are 2.90 Å. All Pd–P bond lengths are 2.47 Å. P is bonded in a 9-coordinate geometry to four equivalent Y, four equivalent Pd, and one P atom. The P–P bond length is 2.21 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on BiSbPd2 by Materials Project

Pd2BiSb crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Pd is bonded in a 6-coordinate geometry to two equivalent Pd, three equivalent Bi, and three equivalent Sb atoms. There are one shorter (2.79 Å) and one longer (2.96 Å) Pd–Pd bond lengths. All Pd–Bi bond lengths are 2.85 Å. All Pd–Sb bond lengths are 2.80 Å. Bi is bonded in a 6-coordinate geometry to six equivalent Pd atoms. Sb is bonded in a 6-coordinate geometry to six equivalent Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TbGePd by Materials Project

TbPdGe crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Tb is bonded in a 12-coordinate geometry to six equivalent Pd and six equivalent Ge atoms. There are a spread of Tb–Pd bond distances ranging from 3.06–3.20 Å. There are a spread of Tb–Ge bond distances ranging from 3.08–3.24 Å. Pd is bonded in a 10-coordinate geometry to six equivalent Tb, one Pd, and three equivalent Ge atoms. The Pd–Pd bond length is 2.86 Å. There are two shorter (2.53 Å) and one longer (2.82 Å) Pd–Ge bond lengths. Ge is bonded in a 10-coordinate geometry to six equivalent Tb, three equivalent Pd, and one Ge atom. The Ge–Ge bond length is 2.58 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NdSiPd2 by Materials Project

NdPd2Si crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Nd is bonded in a 11-coordinate geometry to ten equivalent Pd and three equivalent Si atoms. There are a spread of Nd–Pd bond distances ranging from 3.01–3.62 Å. There are one shorter (3.08 Å) and two longer (3.10 Å) Nd–Si bond lengths. Pd is bonded in a 12-coordinate geometry to five equivalent Nd, four equivalent Pd, and three equivalent Si atoms. There are a spread of Pd–Pd bond distances ranging from 2.76–3.16 Å. There are a spread of Pd–Si bond distances ranging from 2.53–2.69 Å. Si is bonded in a 9-coordinate geometry to three equivalent Nd and six equivalent Pd atoms.

36 MATERIALS SCIENCE↗