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At least 1,297 records · Page 72
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DOE OSTI2020

Materials Data on Li2Pd by Materials Project

Li2Pd crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Li is bonded in a 11-coordinate geometry to five equivalent Li and six equivalent Pd atoms. There are three shorter (2.44 Å) and two longer (2.74 Å) Li–Li bond lengths. All Li–Pd bond lengths are 2.80 Å. Pd is bonded to twelve equivalent Li and two equivalent Pd atoms to form a mixture of distorted edge, face, and corner-sharing PdLi12Pd2 cuboctahedra. Both Pd–Pd bond lengths are 2.74 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CaPd2 by Materials Project

CaPd2 is Cubic Laves structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Ca is bonded in a 12-coordinate geometry to twelve equivalent Pd atoms. All Ca–Pd bond lengths are 3.21 Å. Pd is bonded to six equivalent Ca and six equivalent Pd atoms to form a mixture of edge, corner, and face-sharing PdCa6Pd6 cuboctahedra. All Pd–Pd bond lengths are 2.74 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on HgPd3 by Materials Project

Pd3Hg is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Pd is bonded to eight equivalent Pd and four equivalent Hg atoms to form PdHg4Pd8 cuboctahedra that share corners with twelve equivalent PdHg4Pd8 cuboctahedra, edges with eight equivalent HgPd12 cuboctahedra, edges with sixteen equivalent PdHg4Pd8 cuboctahedra, faces with four equivalent HgPd12 cuboctahedra, and faces with fourteen equivalent PdHg4Pd8 cuboctahedra. All Pd–Pd bond lengths are 2.87 Å. All Pd–Hg bond lengths are 2.87 Å. Hg is bonded to twelve equivalent Pd atoms to form HgPd12 cuboctahedra that share corners with twelve equivalent HgPd12 cuboctahedra, edges with twenty-four equivalent PdHg4Pd8 cuboctahedra, faces with six equivalent HgPd12 cuboctahedra, and faces with twelve equivalent PdHg4Pd8 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CrPd3 by Materials Project

CrPd3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Cr is bonded to twelve equivalent Pd atoms to form CrPd12 cuboctahedra that share corners with twelve equivalent CrPd12 cuboctahedra, edges with twenty-four equivalent PdCr4Pd8 cuboctahedra, faces with six equivalent CrPd12 cuboctahedra, and faces with twelve equivalent PdCr4Pd8 cuboctahedra. All Cr–Pd bond lengths are 2.77 Å. Pd is bonded to four equivalent Cr and eight equivalent Pd atoms to form distorted PdCr4Pd8 cuboctahedra that share corners with twelve equivalent PdCr4Pd8 cuboctahedra, edges with eight equivalent CrPd12 cuboctahedra, edges with sixteen equivalent PdCr4Pd8 cuboctahedra, faces with four equivalent CrPd12 cuboctahedra, and faces with fourteen equivalent PdCr4Pd8 cuboctahedra. All Pd–Pd bond lengths are 2.77 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ZnPd3 by Materials Project

Pd3Zn is Uranium Silicide-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Pd is bonded to eight equivalent Pd and four equivalent Zn atoms to form distorted PdZn4Pd8 cuboctahedra that share corners with four equivalent ZnPd12 cuboctahedra, corners with fourteen equivalent PdZn4Pd8 cuboctahedra, edges with six equivalent ZnPd12 cuboctahedra, edges with twelve equivalent PdZn4Pd8 cuboctahedra, faces with four equivalent ZnPd12 cuboctahedra, and faces with sixteen equivalent PdZn4Pd8 cuboctahedra. There are a spread of Pd–Pd bond distances ranging from 2.76–2.82 Å. There are two shorter (2.76 Å) and two longer (2.79 Å) Pd–Zn bond lengths. Zn is bonded to twelve equivalent Pd atoms to form ZnPd12 cuboctahedra that share corners with six equivalent ZnPd12 cuboctahedra, corners with twelve equivalent PdZn4Pd8 cuboctahedra, edges with eighteen equivalent PdZn4Pd8 cuboctahedra, faces with eight equivalent ZnPd12 cuboctahedra, and faces with twelve equivalent PdZn4Pd8 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NiPd3 by Materials Project

Pd3Ni is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Pd is bonded to eight equivalent Pd and four equivalent Ni atoms to form PdNi4Pd8 cuboctahedra that share corners with four equivalent NiPd12 cuboctahedra, corners with fourteen equivalent PdNi4Pd8 cuboctahedra, edges with six equivalent NiPd12 cuboctahedra, edges with twelve equivalent PdNi4Pd8 cuboctahedra, faces with four equivalent NiPd12 cuboctahedra, and faces with sixteen equivalent PdNi4Pd8 cuboctahedra. There are a spread of Pd–Pd bond distances ranging from 2.65–2.74 Å. There are two shorter (2.69 Å) and two longer (2.70 Å) Pd–Ni bond lengths. Ni is bonded to twelve equivalent Pd atoms to form NiPd12 cuboctahedra that share corners with six equivalent NiPd12 cuboctahedra, corners with twelve equivalent PdNi4Pd8 cuboctahedra, edges with eighteen equivalent PdNi4Pd8 cuboctahedra, faces with eight equivalent NiPd12 cuboctahedra, and faces with twelve equivalent PdNi4Pd8 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on HgPd3 by Materials Project

Pd3Hg is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Pd is bonded to eight equivalent Pd and four equivalent Hg atoms to form PdHg4Pd8 cuboctahedra that share corners with four equivalent HgPd12 cuboctahedra, corners with fourteen equivalent PdHg4Pd8 cuboctahedra, edges with six equivalent HgPd12 cuboctahedra, edges with twelve equivalent PdHg4Pd8 cuboctahedra, faces with four equivalent HgPd12 cuboctahedra, and faces with sixteen equivalent PdHg4Pd8 cuboctahedra. There are a spread of Pd–Pd bond distances ranging from 2.84–2.91 Å. There are two shorter (2.87 Å) and two longer (2.89 Å) Pd–Hg bond lengths. Hg is bonded to twelve equivalent Pd atoms to form HgPd12 cuboctahedra that share corners with six equivalent HgPd12 cuboctahedra, corners with twelve equivalent PdHg4Pd8 cuboctahedra, edges with eighteen equivalent PdHg4Pd8 cuboctahedra, faces with eight equivalent HgPd12 cuboctahedra, and faces with twelve equivalent PdHg4Pd8 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LaSn2Pd by Materials Project

LaPdSn2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. La is bonded in a 12-coordinate geometry to four equivalent Pd and ten Sn atoms. All La–Pd bond lengths are 3.53 Å. There are a spread of La–Sn bond distances ranging from 3.51–3.66 Å. Pd is bonded in a 9-coordinate geometry to four equivalent La and five Sn atoms. There are a spread of Pd–Sn bond distances ranging from 2.60–2.72 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 4-coordinate geometry to four equivalent La and four equivalent Pd atoms. In the second Sn site, Sn is bonded in a 1-coordinate geometry to six equivalent La, one Pd, and two equivalent Sn atoms. Both Sn–Sn bond lengths are 2.83 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SrGe3Pd by Materials Project

SrPdGe3 crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. Sr is bonded in a 12-coordinate geometry to four equivalent Pd and twelve Ge atoms. All Sr–Pd bond lengths are 3.51 Å. There are a spread of Sr–Ge bond distances ranging from 3.36–3.48 Å. Pd is bonded in a 5-coordinate geometry to four equivalent Sr and five Ge atoms. There are one shorter (2.51 Å) and four longer (2.54 Å) Pd–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 1-coordinate geometry to four equivalent Sr, one Pd, and four equivalent Ge atoms. All Ge–Ge bond lengths are 2.72 Å. In the second Ge site, Ge is bonded in a 2-coordinate geometry to four equivalent Sr, two equivalent Pd, and two equivalent Ge atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TiPd by Materials Project

TiPd is beta-prime cadmium gold structured and crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Ti is bonded in a 12-coordinate geometry to eight equivalent Pd atoms. There are a spread of Ti–Pd bond distances ranging from 2.72–2.99 Å. Pd is bonded in a 12-coordinate geometry to eight equivalent Ti and four equivalent Pd atoms. There are two shorter (2.81 Å) and two longer (2.94 Å) Pd–Pd bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on VPd3 by Materials Project

Pd3V is Uranium Silicide-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. V is bonded to twelve equivalent Pd atoms to form VPd12 cuboctahedra that share corners with six equivalent VPd12 cuboctahedra, corners with twelve equivalent PdV4Pd8 cuboctahedra, edges with eighteen equivalent PdV4Pd8 cuboctahedra, faces with eight equivalent VPd12 cuboctahedra, and faces with twelve equivalent PdV4Pd8 cuboctahedra. There are six shorter (2.74 Å) and six longer (2.76 Å) V–Pd bond lengths. Pd is bonded to four equivalent V and eight equivalent Pd atoms to form distorted PdV4Pd8 cuboctahedra that share corners with four equivalent VPd12 cuboctahedra, corners with fourteen equivalent PdV4Pd8 cuboctahedra, edges with six equivalent VPd12 cuboctahedra, edges with twelve equivalent PdV4Pd8 cuboctahedra, faces with four equivalent VPd12 cuboctahedra, and faces with sixteen equivalent PdV4Pd8 cuboctahedra. There are a spread of Pd–Pd bond distances ranging from 2.72–2.81 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TaPd by Materials Project

PdTa is gamma CuTi structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Ta is bonded in a 10-coordinate geometry to six equivalent Pd atoms. There are a spread of Ta–Pd bond distances ranging from 2.72–3.11 Å. Pd is bonded in a 10-coordinate geometry to six equivalent Ta and four equivalent Pd atoms. All Pd–Pd bond lengths are 2.84 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SrPd by Materials Project

SrPd crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Sr is bonded in a 7-coordinate geometry to seven equivalent Pd atoms. There are a spread of Sr–Pd bond distances ranging from 3.21–3.30 Å. Pd is bonded in a 9-coordinate geometry to seven equivalent Sr and two equivalent Pd atoms. Both Pd–Pd bond lengths are 2.81 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Pd3N by Materials Project

Pd3N is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Pd is bonded to eight equivalent Pd and four equivalent N atoms to form distorted PdPd8N4 cuboctahedra that share corners with twelve equivalent PdPd8N4 cuboctahedra, edges with eight equivalent NPd12 cuboctahedra, edges with sixteen equivalent PdPd8N4 cuboctahedra, faces with four equivalent NPd12 cuboctahedra, and faces with fourteen equivalent PdPd8N4 cuboctahedra. All Pd–Pd bond lengths are 2.71 Å. All Pd–N bond lengths are 2.71 Å. N is bonded to twelve equivalent Pd atoms to form NPd12 cuboctahedra that share corners with twelve equivalent NPd12 cuboctahedra, edges with twenty-four equivalent PdPd8N4 cuboctahedra, faces with six equivalent NPd12 cuboctahedra, and faces with twelve equivalent PdPd8N4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Pd3Au by Materials Project

Pd3Au is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Pd is bonded to eight equivalent Pd and four equivalent Au atoms to form PdPd8Au4 cuboctahedra that share corners with twelve equivalent PdPd8Au4 cuboctahedra, edges with eight equivalent AuPd12 cuboctahedra, edges with sixteen equivalent PdPd8Au4 cuboctahedra, faces with four equivalent AuPd12 cuboctahedra, and faces with fourteen equivalent PdPd8Au4 cuboctahedra. All Pd–Pd bond lengths are 2.83 Å. All Pd–Au bond lengths are 2.83 Å. Au is bonded to twelve equivalent Pd atoms to form AuPd12 cuboctahedra that share corners with twelve equivalent AuPd12 cuboctahedra, edges with twenty-four equivalent PdPd8Au4 cuboctahedra, faces with six equivalent AuPd12 cuboctahedra, and faces with twelve equivalent PdPd8Au4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on BiPd by Materials Project

PdBi crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Pd is bonded in a 8-coordinate geometry to two equivalent Pd and six equivalent Bi atoms. Both Pd–Pd bond lengths are 2.90 Å. All Pd–Bi bond lengths are 2.88 Å. Bi is bonded in a 6-coordinate geometry to six equivalent Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NbPd2 by Materials Project

NbPd2 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Nb is bonded to ten equivalent Pd atoms to form distorted NbPd10 cuboctahedra that share corners with eighteen equivalent PdNb5Pd7 cuboctahedra, edges with four equivalent PdNb5Pd7 cuboctahedra, edges with twelve equivalent NbPd10 cuboctahedra, faces with four equivalent NbPd10 cuboctahedra, and faces with fourteen equivalent PdNb5Pd7 cuboctahedra. There are eight shorter (2.81 Å) and two longer (2.85 Å) Nb–Pd bond lengths. Pd is bonded to five equivalent Nb and seven equivalent Pd atoms to form distorted PdNb5Pd7 cuboctahedra that share corners with seven equivalent PdNb5Pd7 cuboctahedra, corners with nine equivalent NbPd10 cuboctahedra, edges with two equivalent NbPd10 cuboctahedra, edges with eighteen equivalent PdNb5Pd7 cuboctahedra, faces with seven equivalent NbPd10 cuboctahedra, and faces with eleven equivalent PdNb5Pd7 cuboctahedra. There are five shorter (2.82 Å) and two longer (2.88 Å) Pd–Pd bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on EuPd by Materials Project

EuPd crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Eu is bonded in a 7-coordinate geometry to seven equivalent Pd atoms. There are a spread of Eu–Pd bond distances ranging from 3.15–3.22 Å. Pd is bonded in a 9-coordinate geometry to seven equivalent Eu and two equivalent Pd atoms. Both Pd–Pd bond lengths are 2.86 Å.

36 MATERIALS SCIENCE↗