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At least 1,279 records · Page 71
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DOE OSTI2020

Materials Data on FePd3 by Materials Project

Pd3Fe is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Fe is bonded to twelve equivalent Pd atoms to form FePd12 cuboctahedra that share corners with twelve equivalent FePd12 cuboctahedra, edges with twenty-four equivalent PdFe4Pd8 cuboctahedra, faces with six equivalent FePd12 cuboctahedra, and faces with twelve equivalent PdFe4Pd8 cuboctahedra. All Fe–Pd bond lengths are 2.75 Å. Pd is bonded to four equivalent Fe and eight equivalent Pd atoms to form PdFe4Pd8 cuboctahedra that share corners with twelve equivalent PdFe4Pd8 cuboctahedra, edges with eight equivalent FePd12 cuboctahedra, edges with sixteen equivalent PdFe4Pd8 cuboctahedra, faces with four equivalent FePd12 cuboctahedra, and faces with fourteen equivalent PdFe4Pd8 cuboctahedra. All Pd–Pd bond lengths are 2.75 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Pd3(PbS)2 by Materials Project

Pd3(PbS)2 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Pd is bonded in a distorted linear geometry to four Pb and two equivalent S atoms. There are two shorter (2.93 Å) and two longer (3.04 Å) Pd–Pb bond lengths. Both Pd–S bond lengths are 2.36 Å. There are two inequivalent Pb sites. In the first Pb site, Pb is bonded to six equivalent Pd and two equivalent S atoms to form corner-sharing PbPd6S2 hexagonal bipyramids. Both Pb–S bond lengths are 3.11 Å. In the second Pb site, Pb is bonded in a hexagonal planar geometry to six equivalent Pd atoms. S is bonded in a 4-coordinate geometry to three equivalent Pd and one Pb atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on EuIn4Pd by Materials Project

EuPdIn4 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Eu is bonded in a 5-coordinate geometry to two equivalent Pd and thirteen In atoms. Both Eu–Pd bond lengths are 3.50 Å. There are a spread of Eu–In bond distances ranging from 3.29–3.86 Å. Pd is bonded in a 9-coordinate geometry to two equivalent Eu and seven In atoms. There are a spread of Pd–In bond distances ranging from 2.70–2.84 Å. There are three inequivalent In sites. In the first In site, In is bonded in a distorted q6 geometry to four equivalent Eu and six In atoms. There are four shorter (3.19 Å) and two longer (3.20 Å) In–In bond lengths. In the second In site, In is bonded in a 3-coordinate geometry to three equivalent Eu, three equivalent Pd, and one In atom. In the third In site, In is bonded in a 2-coordinate geometry to three equivalent Eu, one Pd, and four equivalent In atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on FePd by Materials Project

FePd is Tetraauricupride structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Fe is bonded to four equivalent Fe and eight equivalent Pd atoms to form distorted FeFe4Pd8 cuboctahedra that share corners with twelve equivalent FeFe4Pd8 cuboctahedra, edges with eight equivalent FeFe4Pd8 cuboctahedra, edges with sixteen equivalent PdFe8Pd4 cuboctahedra, faces with eight equivalent PdFe8Pd4 cuboctahedra, and faces with ten equivalent FeFe4Pd8 cuboctahedra. All Fe–Fe bond lengths are 2.72 Å. All Fe–Pd bond lengths are 2.69 Å. Pd is bonded to eight equivalent Fe and four equivalent Pd atoms to form distorted PdFe8Pd4 cuboctahedra that share corners with twelve equivalent PdFe8Pd4 cuboctahedra, edges with eight equivalent PdFe8Pd4 cuboctahedra, edges with sixteen equivalent FeFe4Pd8 cuboctahedra, faces with eight equivalent FeFe4Pd8 cuboctahedra, and faces with ten equivalent PdFe8Pd4 cuboctahedra. All Pd–Pd bond lengths are 2.72 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SrSn3Pd by Materials Project

SrPdSn3 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 Sn atoms. All Sr–Pd bond lengths are 3.82 Å. There are a spread of Sr–Sn bond distances ranging from 3.60–3.76 Å. Pd is bonded in a 5-coordinate geometry to four equivalent Sr and five Sn atoms. There are one shorter (2.64 Å) and four longer (2.72 Å) Pd–Sn bond lengths. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 1-coordinate geometry to four equivalent Sr, one Pd, and four equivalent Sn atoms. All Sn–Sn bond lengths are 3.07 Å. In the second Sn site, Sn is bonded in a 2-coordinate geometry to four equivalent Sr, two equivalent Pd, and two equivalent Sn atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ThPd by Materials Project

ThPd crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Th is bonded in a 7-coordinate geometry to seven equivalent Pd atoms. There are a spread of Th–Pd bond distances ranging from 3.05–3.18 Å. Pd is bonded in a 7-coordinate geometry to seven equivalent Th and two equivalent Pd atoms. Both Pd–Pd bond lengths are 2.97 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on InPd3 by Materials Project

Pd3In 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 In atoms to form distorted PdIn4Pd8 cuboctahedra that share corners with twelve equivalent PdIn4Pd8 cuboctahedra, edges with eight equivalent InPd12 cuboctahedra, edges with sixteen equivalent PdIn4Pd8 cuboctahedra, faces with four equivalent InPd12 cuboctahedra, and faces with fourteen equivalent PdIn4Pd8 cuboctahedra. All Pd–Pd bond lengths are 2.86 Å. All Pd–In bond lengths are 2.86 Å. In is bonded to twelve equivalent Pd atoms to form InPd12 cuboctahedra that share corners with twelve equivalent InPd12 cuboctahedra, edges with twenty-four equivalent PdIn4Pd8 cuboctahedra, faces with six equivalent InPd12 cuboctahedra, and faces with twelve equivalent PdIn4Pd8 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ho3(GePd)4 by Materials Project

Ho3Pd4Ge4 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Ho sites. In the first Ho site, Ho is bonded in a 12-coordinate geometry to six equivalent Pd and six Ge atoms. There are four shorter (3.06 Å) and two longer (3.12 Å) Ho–Pd bond lengths. There are two shorter (3.03 Å) and four longer (3.04 Å) Ho–Ge bond lengths. In the second Ho site, Ho is bonded to six Ge atoms to form distorted edge-sharing HoGe6 octahedra. All Ho–Ge bond lengths are 3.04 Å. Pd is bonded in a 12-coordinate geometry to three equivalent Ho and four Ge atoms. There are one shorter (2.58 Å) and three longer (2.60 Å) Pd–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to three Ho and six equivalent Pd atoms. In the second Ge site, Ge is bonded in a 9-coordinate geometry to six Ho, two equivalent Pd, and one Ge atom. The Ge–Ge bond length is 2.68 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Mo3Pd2N by Materials Project

Mo3Pd2N crystallizes in the cubic P4_132 space group. The structure is three-dimensional. Mo is bonded in a bent 150 degrees geometry to six equivalent Pd and two equivalent N atoms. There are a spread of Mo–Pd bond distances ranging from 2.78–2.92 Å. Both Mo–N bond lengths are 2.16 Å. Pd is bonded to nine equivalent Mo and three equivalent Pd atoms to form PdMo9Pd3 cuboctahedra that share corners with fifteen equivalent PdMo9Pd3 cuboctahedra, edges with three equivalent NMo6 octahedra, faces with ten equivalent PdMo9Pd3 cuboctahedra, and faces with four equivalent NMo6 octahedra. All Pd–Pd bond lengths are 2.59 Å. N is bonded to six equivalent Mo atoms to form distorted NMo6 octahedra that share corners with six equivalent NMo6 octahedra, edges with six equivalent PdMo9Pd3 cuboctahedra, and faces with eight equivalent PdMo9Pd3 cuboctahedra. The corner-sharing octahedral tilt angles are 25°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Bi2Pd3S2 by Materials Project

Pd3Bi2S2 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Pd is bonded in a 2-coordinate geometry to four Bi and two equivalent S atoms. There are two shorter (2.88 Å) and two longer (3.11 Å) Pd–Bi bond lengths. Both Pd–S bond lengths are 2.36 Å. There are two inequivalent Bi sites. In the first Bi site, Bi is bonded in a distorted hexagonal planar geometry to six equivalent Pd atoms. In the second Bi site, Bi is bonded to six equivalent Pd and two equivalent S atoms to form corner-sharing BiPd6S2 hexagonal bipyramids. Both Bi–S bond lengths are 2.97 Å. S is bonded in a distorted rectangular see-saw-like geometry to three equivalent Pd and one Bi atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Tm3(GePd)4 by Materials Project

Tm3(PdGe)4 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Tm sites. In the first Tm site, Tm is bonded in a 12-coordinate geometry to six equivalent Pd and six Ge atoms. There are four shorter (3.04 Å) and two longer (3.12 Å) Tm–Pd bond lengths. There are two shorter (3.00 Å) and four longer (3.02 Å) Tm–Ge bond lengths. In the second Tm site, Tm is bonded to six Ge atoms to form distorted edge-sharing TmGe6 octahedra. All Tm–Ge bond lengths are 3.03 Å. Pd is bonded in a 12-coordinate geometry to three equivalent Tm and four Ge atoms. There are one shorter (2.55 Å) and three longer (2.59 Å) Pd–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to six Tm, two equivalent Pd, and one Ge atom. The Ge–Ge bond length is 2.67 Å. In the second Ge site, Ge is bonded in a 9-coordinate geometry to three Tm and six equivalent Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Li(Sn3Pd)2 by Materials Project

Li(PdSn3)2 is Khatyrkite-derived structured and crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Li is bonded in a distorted q6 geometry to two equivalent Pd and eight equivalent Sn atoms. Both Li–Pd bond lengths are 2.85 Å. All Li–Sn bond lengths are 2.99 Å. Pd is bonded in a 9-coordinate geometry to one Li and eight Sn atoms. There are four shorter (2.82 Å) and four longer (2.97 Å) Pd–Sn bond lengths. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 7-coordinate geometry to four equivalent Pd atoms. In the second Sn site, Sn is bonded in a 4-coordinate geometry to two equivalent Li and two equivalent Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TiPd3 by Materials Project

Pd3Ti is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ti is bonded to twelve equivalent Pd atoms to form TiPd12 cuboctahedra that share corners with twelve equivalent TiPd12 cuboctahedra, edges with twenty-four equivalent PdTi4Pd8 cuboctahedra, faces with six equivalent TiPd12 cuboctahedra, and faces with twelve equivalent PdTi4Pd8 cuboctahedra. All Ti–Pd bond lengths are 2.78 Å. Pd is bonded to four equivalent Ti and eight equivalent Pd atoms to form distorted PdTi4Pd8 cuboctahedra that share corners with twelve equivalent PdTi4Pd8 cuboctahedra, edges with eight equivalent TiPd12 cuboctahedra, edges with sixteen equivalent PdTi4Pd8 cuboctahedra, faces with four equivalent TiPd12 cuboctahedra, and faces with fourteen equivalent PdTi4Pd8 cuboctahedra. All Pd–Pd bond lengths are 2.78 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YbIn4Pd by Materials Project

YbPdIn4 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Yb is bonded in a 7-coordinate geometry to two equivalent Pd and eleven In atoms. Both Yb–Pd bond lengths are 3.31 Å. There are a spread of Yb–In bond distances ranging from 3.26–3.66 Å. Pd is bonded in a 9-coordinate geometry to two equivalent Yb and seven In atoms. There are a spread of Pd–In bond distances ranging from 2.73–2.83 Å. There are three inequivalent In sites. In the first In site, In is bonded in a 3-coordinate geometry to three equivalent Yb, three equivalent Pd, and one In atom. The In–In bond length is 3.09 Å. In the second In site, In is bonded in a 2-coordinate geometry to one Yb, one Pd, and four equivalent In atoms. All In–In bond lengths are 3.15 Å. In the third In site, In is bonded in a distorted q6 geometry to four equivalent Yb and six In atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on VPd3 by Materials Project

Pd3V is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. V is bonded to twelve equivalent Pd atoms to form VPd12 cuboctahedra that share corners with twelve equivalent VPd12 cuboctahedra, edges with twenty-four equivalent PdV4Pd8 cuboctahedra, faces with six equivalent VPd12 cuboctahedra, and faces with twelve equivalent PdV4Pd8 cuboctahedra. All V–Pd bond lengths are 2.76 Å. Pd is bonded to four equivalent V and eight equivalent Pd atoms to form distorted PdV4Pd8 cuboctahedra that share corners with twelve equivalent PdV4Pd8 cuboctahedra, edges with eight equivalent VPd12 cuboctahedra, edges with sixteen equivalent PdV4Pd8 cuboctahedra, faces with four equivalent VPd12 cuboctahedra, and faces with fourteen equivalent PdV4Pd8 cuboctahedra. All Pd–Pd bond lengths are 2.76 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on MnGePd by Materials Project

PdMnGe crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Mn is bonded in a 11-coordinate geometry to six equivalent Pd and five Ge atoms. There are two shorter (2.84 Å) and four longer (2.97 Å) Mn–Pd bond lengths. There are one shorter (2.69 Å) and four longer (2.70 Å) Mn–Ge bond lengths. Pd is bonded in a 10-coordinate geometry to six equivalent Mn and four Ge atoms. There are two shorter (2.49 Å) and two longer (2.51 Å) Pd–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to three equivalent Mn and six equivalent Pd atoms. In the second Ge site, Ge is bonded in a 9-coordinate geometry to six equivalent Mn and three equivalent Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CeIn4Pd by Materials Project

CePdIn4 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Ce is bonded in a 1-coordinate geometry to two equivalent Pd and thirteen In atoms. Both Ce–Pd bond lengths are 3.55 Å. There are a spread of Ce–In bond distances ranging from 3.18–3.77 Å. Pd is bonded in a 7-coordinate geometry to two equivalent Ce and seven In atoms. There are a spread of Pd–In bond distances ranging from 2.68–2.84 Å. There are three inequivalent In sites. In the first In site, In is bonded in a distorted q6 geometry to four equivalent Ce and six In atoms. There are two shorter (3.15 Å) and four longer (3.17 Å) In–In bond lengths. In the second In site, In is bonded in a 3-coordinate geometry to three equivalent Ce, three equivalent Pd, and one In atom. In the third In site, In is bonded in a distorted linear geometry to three equivalent Ce, one Pd, and four equivalent In atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SnPd3 by Materials Project

Pd3Sn 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 Sn atoms to form PdSn4Pd8 cuboctahedra that share corners with twelve equivalent PdSn4Pd8 cuboctahedra, edges with eight equivalent SnPd12 cuboctahedra, edges with sixteen equivalent PdSn4Pd8 cuboctahedra, faces with four equivalent SnPd12 cuboctahedra, and faces with fourteen equivalent PdSn4Pd8 cuboctahedra. All Pd–Pd bond lengths are 2.86 Å. All Pd–Sn bond lengths are 2.86 Å. Sn is bonded to twelve equivalent Pd atoms to form SnPd12 cuboctahedra that share corners with twelve equivalent SnPd12 cuboctahedra, edges with twenty-four equivalent PdSn4Pd8 cuboctahedra, faces with six equivalent SnPd12 cuboctahedra, and faces with twelve equivalent PdSn4Pd8 cuboctahedra.

36 MATERIALS SCIENCE↗