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At least 73 records · Page 4
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Gd3(P3Pd10)2 by Materials Project

Gd3(Pd10P3)2 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Gd sites. In the first Gd site, Gd is bonded to sixteen Pd atoms to form distorted GdPd16 tetrahedra that share edges with six equivalent GdPd16 tetrahedra and faces with four equivalent GdP6Pd12 cuboctahedra. There are four shorter (2.88 Å) and twelve longer (3.36 Å) Gd–Pd bond lengths. In the second Gd site, Gd is bonded to twelve equivalent Pd and six equivalent P atoms to form distorted face-sharing GdP6Pd12 cuboctahedra. All Gd–Pd bond lengths are 3.01 Å. All Gd–P bond lengths are 3.23 Å. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 4-coordinate geometry to one Gd, six equivalent Pd, and three equivalent P atoms. All Pd–Pd bond lengths are 3.06 Å. All Pd–P bond lengths are 2.51 Å. In the second Pd site, Pd is bonded in a 6-coordinate geometry to three Gd, nine Pd, and two equivalent P atoms. There are one shorter (2.69 Å) and four longer (3.01 Å) Pd–Pd bond lengths. Both Pd–P bond lengths are 2.40 Å. P is bonded in a 9-coordinate geometry to one Gd and eight Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ce3(P3Pd10)2 by Materials Project

Ce3(Pd10P3)2 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Ce sites. In the first Ce site, Ce is bonded to sixteen Pd atoms to form distorted CePd16 tetrahedra that share edges with six equivalent CePd16 tetrahedra and faces with four equivalent CeP6Pd12 cuboctahedra. There are four shorter (2.86 Å) and twelve longer (3.36 Å) Ce–Pd bond lengths. In the second Ce site, Ce is bonded to twelve equivalent Pd and six equivalent P atoms to form distorted face-sharing CeP6Pd12 cuboctahedra. All Ce–Pd bond lengths are 3.01 Å. All Ce–P bond lengths are 3.26 Å. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 4-coordinate geometry to one Ce, six equivalent Pd, and three equivalent P atoms. All Pd–Pd bond lengths are 3.05 Å. All Pd–P bond lengths are 2.50 Å. In the second Pd site, Pd is bonded in a 6-coordinate geometry to three Ce, nine Pd, and two equivalent P atoms. There are one shorter (2.69 Å) and four longer (3.01 Å) Pd–Pd bond lengths. Both Pd–P bond lengths are 2.41 Å. P is bonded in a 9-coordinate geometry to one Ce and eight Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ho3(P3Pd10)2 by Materials Project

Ho3(Pd10P3)2 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Ho sites. In the first Ho site, Ho is bonded to sixteen Pd atoms to form distorted HoPd16 tetrahedra that share edges with six equivalent HoPd16 tetrahedra and faces with four equivalent HoP6Pd12 cuboctahedra. There are four shorter (2.84 Å) and twelve longer (3.35 Å) Ho–Pd bond lengths. In the second Ho site, Ho is bonded to twelve equivalent Pd and six equivalent P atoms to form distorted face-sharing HoP6Pd12 cuboctahedra. All Ho–Pd bond lengths are 2.99 Å. All Ho–P bond lengths are 3.24 Å. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 4-coordinate geometry to one Ho, six equivalent Pd, and three equivalent P atoms. All Pd–Pd bond lengths are 3.04 Å. All Pd–P bond lengths are 2.49 Å. In the second Pd site, Pd is bonded in a 6-coordinate geometry to three Ho, nine Pd, and two equivalent P atoms. There are one shorter (2.69 Å) and four longer (2.99 Å) Pd–Pd bond lengths. Both Pd–P bond lengths are 2.40 Å. P is bonded in a 9-coordinate geometry to one Ho and eight Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Tm3(P3Pd10)2 by Materials Project

Tm3(Pd10P3)2 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Tm sites. In the first Tm site, Tm is bonded to sixteen Pd atoms to form distorted TmPd16 tetrahedra that share edges with six equivalent TmPd16 tetrahedra and faces with four equivalent TmPd12 cuboctahedra. There are four shorter (2.83 Å) and twelve longer (3.34 Å) Tm–Pd bond lengths. In the second Tm site, Tm is bonded to twelve equivalent Pd atoms to form distorted face-sharing TmPd12 cuboctahedra. All Tm–Pd bond lengths are 2.98 Å. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 4-coordinate geometry to one Tm, six equivalent Pd, and three equivalent P atoms. All Pd–Pd bond lengths are 3.03 Å. All Pd–P bond lengths are 2.49 Å. In the second Pd site, Pd is bonded in a 6-coordinate geometry to three Tm, nine Pd, and two equivalent P atoms. There are one shorter (2.70 Å) and four longer (2.98 Å) Pd–Pd bond lengths. Both Pd–P bond lengths are 2.39 Å. P is bonded in a 9-coordinate geometry to eight Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PPd4 by Materials Project

Pd4P crystallizes in the monoclinic Pm space group. The structure is three-dimensional. there are eight inequivalent Pd sites. In the first Pd site, Pd is bonded in a 1-coordinate geometry to four equivalent Pd and one P atom. There are two shorter (3.00 Å) and two longer (3.19 Å) Pd–Pd bond lengths. The Pd–P bond length is 2.31 Å. In the second Pd site, Pd is bonded in a distorted single-bond geometry to two equivalent Pd and one P atom. Both Pd–Pd bond lengths are 2.95 Å. The Pd–P bond length is 2.33 Å. In the third Pd site, Pd is bonded in a 2-coordinate geometry to two equivalent Pd and two P atoms. Both Pd–Pd bond lengths are 2.86 Å. There are one shorter (2.29 Å) and one longer (2.30 Å) Pd–P bond lengths. In the fourth Pd site, Pd is bonded in a 2-coordinate geometry to two equivalent Pd and two P atoms. Both Pd–Pd bond lengths are 3.00 Å. There are one shorter (2.30 Å) and one longer (2.32 Å) Pd–P bond lengths. In the fifth Pd site, Pd is bonded in a 1-coordinate geometry to eleven Pd and two P atoms. There are a spread of Pd–Pd bond distances ranging from 2.84–3.03 Å. There are one shorter (2.37 Å) and one longer (2.68 Å) Pd–P bond lengths. In the sixth Pd site, Pd is bonded in a 1-coordinate geometry to two equivalent Pd and two P atoms. There are one shorter (2.34 Å) and one longer (2.68 Å) Pd–P bond lengths. In the seventh Pd site, Pd is bonded in a 2-coordinate geometry to one Pd and two P atoms. There are one shorter (2.33 Å) and one longer (2.39 Å) Pd–P bond lengths. In the eighth Pd site, Pd is bonded in a 2-coordinate geometry to two equivalent Pd and three P atoms. There are a spread of Pd–P bond distances ranging from 2.33–2.65 Å. There are three inequivalent P sites. In the first P site, P is bonded in a 6-coordinate geometry to eight Pd atoms. In the second P site, P is bonded in a 6-coordinate geometry to eight Pd atoms. In the third P site, P is bonded in a 6-coordinate geometry to eight Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Epsilon Metal: A Waste Form for Noble Metals from Used Nuclear Fuel

Epsilon metal (e-metal) is the metallic phase that forms as inclusions at the grain boundaries in the UO2 fuel during reactor operation. This metal is composed of Pd, Mo, Rh, Ru, and Tc. These metallic inclusions are insoluble in strong acid and remnants of these metallic inclusions have been found in the UO2 matrix that remains from the natural reactors in Gabon that were active 1.8 billion years ago, therefore e-metal should be an excellent waste form for the immobilization of the long-lived isotopes 107Pd (6.5 ? 106 a) and 99Tc (2.13 ? 105 a), with 99Tc being the isotope of interest for repository performance. Therefore, the chemical durability of this potential waste form is assessed in this study. Typically, corrosion rates for metallic materials are measured electrochemically because they are quick, inexpensive, and can reveal the mechanism by which a metal corrodes, at least initially. However, in a repository the waste form would be subjected to slowly flowing water without an applied electrical potential over long time periods. Therefore, the corrosion rates of e-metal specimens were measured with both electrochemical tests and the single-pass flow-through test (SPFT). Potentiodynamic and potentiostatic polarization results suggest that a thin passive film exists on the alloy surface, which seems to be responsible for its high corrosion resistance. Additionally, X-Ray photoelectron spectroscopic results suggest that Pd oxides are significantly enriched in the passive film Results from the SPFT show that the dissolution rates were weakly dependent on pH. Only Mo and Re were found in solution and were used for the calculation of the dissolution rates. In general, the electrochemically determined corrosion rates agree reasonably well with the initial dissolution rate measured with the SPFT test, but they are about one or two orders of magnitude higher than the steady state rates. The causes for this discrepancy are discussed.

epsilon-metal, nuclear waste form, corrosion, sing↗
DOE OSTI2020

Materials Data on SnPd by Materials Project

PdSn is Modderite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Pd is bonded in a 6-coordinate geometry to six equivalent Sn atoms. There are a spread of Pd–Sn bond distances ranging from 2.70–2.85 Å. Sn is bonded in a 6-coordinate geometry to six equivalent Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on GePd by Materials Project

PdGe is Modderite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Pd is bonded in a 6-coordinate geometry to six equivalent Ge atoms. There are a spread of Pd–Ge bond distances ranging from 2.52–2.68 Å. Ge is bonded in a 6-coordinate geometry to six equivalent Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Anisotropic structure in a vapor-deposited Pd-based metallic glass

The understanding of the structure of amorphous solids beyond nearest-neighbors has long been sought after. While recent works have demonstrated evidence for medium-range ordering and its importance for the physical properties of glassy systems, few have investigated mesoscopic structural correlations beyond a few nanometers. In this work, combining X-ray nano-diffraction with high-energy X-ray total scattering with a small focus, we have not only found structural anisotropy in a vapor-deposited Pd 77.5 Cu 6 Si 16.5 metallic glass sample which appears to show two distinct and well-defined structures in different directions, but also obtained detailed characterizations of this anisotropic structure in real space. Upon annealing, the sample loses the long-range anisotropy, and at the same time, it appears to densify with a contraction of higher-order coordination shells. In light of recent works, our results may indicate a transition between two structures in the sample with different densities, medium-range ordering, and degrees of anisotropy. We expect these results to be relevant to a larger family of metallic glass systems, where similar discoveries may be made with the use of high-quality, small-focus X-ray beams.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ce7(GePd2)2 by Materials Project

Ce7Pd4Ge2 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are twenty-eight inequivalent Ce sites. In the first Ce site, Ce is bonded in a 2-coordinate geometry to one Ce, four Pd, and one Ge atom. The Ce–Ce bond length is 2.86 Å. There are a spread of Ce–Pd bond distances ranging from 2.80–3.25 Å. The Ce–Ge bond length is 3.45 Å. In the second Ce site, Ce is bonded in a 3-coordinate geometry to one Ce, four Pd, and two Ge atoms. The Ce–Ce bond length is 2.77 Å. There are a spread of Ce–Pd bond distances ranging from 2.87–3.78 Å. There are one shorter (3.17 Å) and one longer (3.29 Å) Ce–Ge bond lengths. In the third Ce site, Ce is bonded in a 4-coordinate geometry to three Pd and two Ge atoms. There are a spread of Ce–Pd bond distances ranging from 2.75–3.14 Å. There are one shorter (2.94 Å) and one longer (2.96 Å) Ce–Ge bond lengths. In the fourth Ce site, Ce is bonded in a 2-coordinate geometry to one Ce, five Pd, and one Ge atom. The Ce–Ce bond length is 3.03 Å. There are a spread of Ce–Pd bond distances ranging from 2.83–3.44 Å. The Ce–Ge bond length is 3.12 Å. In the fifth Ce site, Ce is bonded in a 5-coordinate geometry to four Pd and three Ge atoms. There are a spread of Ce–Pd bond distances ranging from 3.11–3.89 Å. There are a spread of Ce–Ge bond distances ranging from 3.09–3.19 Å. In the sixth Ce site, Ce is bonded in a 2-coordinate geometry to one Ce, four Pd, and one Ge atom. The Ce–Ce bond length is 2.85 Å. There are a spread of Ce–Pd bond distances ranging from 2.80–3.26 Å. The Ce–Ge bond length is 3.43 Å. In the seventh Ce site, Ce is bonded in a 5-coordinate geometry to four Pd and three Ge atoms. There are a spread of Ce–Pd bond distances ranging from 3.11–3.90 Å. There are a spread of Ce–Ge bond distances ranging from 3.08–3.18 Å. In the eighth Ce site, Ce is bonded in a 4-coordinate geometry to three Pd and two Ge atoms. There are a spread of Ce–Pd bond distances ranging from 2.76–3.13 Å. There are one shorter (2.93 Å) and one longer (2.96 Å) Ce–Ge bond lengths. In the ninth Ce site, Ce is bonded in a 6-coordinate geometry to six Pd and three Ge atoms. There are a spread of Ce–Pd bond distances ranging from 2.95–3.65 Å. There are a spread of Ce–Ge bond distances ranging from 3.13–3.21 Å. In the tenth Ce site, Ce is bonded in a 6-coordinate geometry to six Pd and three Ge atoms. There are a spread of Ce–Pd bond distances ranging from 2.95–3.65 Å. There are a spread of Ce–Ge bond distances ranging from 3.13–3.21 Å. In the eleventh Ce site, Ce is bonded in a 2-coordinate geometry to one Ce, four Pd, and one Ge atom. The Ce–Ce bond length is 2.89 Å. There are a spread of Ce–Pd bond distances ranging from 2.81–3.25 Å. The Ce–Ge bond length is 3.44 Å. In the twelfth Ce site, Ce is bonded in a 8-coordinate geometry to three Ce, four Pd, and one Ge atom. There are one shorter (2.77 Å) and one longer (2.86 Å) Ce–Ce bond lengths. There are a spread of Ce–Pd bond distances ranging from 3.11–3.40 Å. The Ce–Ge bond length is 3.01 Å. In the thirteenth Ce site, Ce is bonded in a 3-coordinate geometry to one Ce, four Pd, and two Ge atoms. There are a spread of Ce–Pd bond distances ranging from 2.88–3.78 Å. There are one shorter (3.18 Å) and one longer (3.30 Å) Ce–Ge bond lengths. In the fourteenth Ce site, Ce is bonded in a 3-coordinate geometry to one Ce, four Pd, and one Ge atom. There are a spread of Ce–Pd bond distances ranging from 2.81–3.26 Å. The Ce–Ge bond length is 3.44 Å. In the fifteenth Ce site, Ce is bonded in a 4-coordinate geometry to three Pd and two Ge atoms. There are a spread of Ce–Pd bond distances ranging from 2.76–3.13 Å. There are one shorter (2.94 Å) and one longer (2.95 Å) Ce–Ge bond lengths. In the sixteenth Ce site, Ce is bonded in a 5-coordinate geometry to four Pd and three Ge atoms. There are a spread of Ce–Pd bond distances ranging from 3.11–3.90 Å. There are a spread of Ce–Ge bond distances ranging from 3.08–3.18 Å. In the seventeenth Ce site, Ce is bonded in a 8-coordinate geometry to three Ce, four Pd, and one Ge atom. There are one shorter (2.77 Å) and one longer (3.05 Å) Ce–Ce bond lengths. There are a spread of Ce–Pd bond distances ranging from 3.10–3.40 Å. The Ce–Ge bond length is 3.02 Å. In the eighteenth Ce site, Ce is bonded in a 8-coordinate geometry to three Ce, four Pd, and one Ge atom. The Ce–Ce bond length is 3.03 Å. There are a spread of Ce–Pd bond distances ranging from 3.11–3.39 Å. The Ce–Ge bond length is 3.02 Å. In the nineteenth Ce site, Ce is bonded in a 6-coordinate geometry to six Pd and three Ge atoms. There are a spread of Ce–Pd bond distances ranging from 2.95–3.64 Å. There are a spread of Ce–Ge bond distances ranging from 3.13–3.21 Å. In the twentieth Ce site, Ce is bonded in a 5-coordinate geometry to four Pd and three Ge atoms. There are a spread of Ce–Pd bond distances ranging from 3.11–3.89 Å. There are a spread of Ce–Ge bond distances ranging from 3.08–3.19 Å. In the twenty-first Ce site, Ce is bonded in a 8-coordinate geometry to three Ce, four Pd, and one Ge atom. There are one shorter (2.77 Å) and one longer (3.04 Å) Ce–Ce bond lengths. There are a spread of Ce–Pd bond distances ranging from 3.10–3.40 Å. The Ce–Ge bond length is 3.02 Å. In the twenty-second Ce site, Ce is bonded in a 6-coordinate geometry to six Pd and three Ge atoms. There are a spread of Ce–Pd bond distances ranging from 2.95–3.64 Å. There are a spread of Ce–Ge bond distances ranging from 3.13–3.20 Å. In the twenty-third Ce site, Ce is bonded in a 3-coordinate geometry to one Ce, four Pd, and two Ge atoms. There are a spread of Ce–Pd bond distances ranging from 2.86–3.79 Å. There are one shorter (3.16 Å) and one longer (3.30 Å) Ce–Ge bond lengths. In the twenty-fourth Ce site, Ce is bonded in a 2-coordinate geometry to one Ce, five Pd, and one Ge atom. There are a spread of Ce–Pd bond distances ranging from 2.82–3.43 Å. The Ce–Ge bond length is 3.12 Å. In the twenty-fifth Ce site, Ce is bonded in a 3-coordinate geometry to one Ce, four Pd, and two Ge atoms. There are a spread of Ce–Pd bond distances ranging from 2.87–3.78 Å. There are one shorter (3.17 Å) and one longer (3.30 Å) Ce–Ge bond lengths. In the twenty-sixth Ce site, Ce is bonded in a 4-coordinate geometry to three Pd and two Ge atoms. There are a spread of Ce–Pd bond distances ranging from 2.75–3.13 Å. Both Ce–Ge bond lengths are 2.95 Å. In the twenty-seventh Ce site, Ce is bonded in a 2-coordinate geometry to one Ce, five Pd, and one Ge atom. There are a spread of Ce–Pd bond distances ranging from 2.82–3.44 Å. The Ce–Ge bond length is 3.13 Å. In the twenty-eighth Ce site, Ce is bonded in a 2-coordinate geometry to one Ce, five Pd, and one Ge atom. There are a spread of Ce–Pd bond distances ranging from 2.82–3.42 Å. The Ce–Ge bond length is 3.12 Å. There are sixteen inequivalent Pd sites. In the first Pd site, Pd is bonded in a 10-coordinate geometry to eight Ce and two Ge atoms. There are one shorter (2.64 Å) and one longer (2.88 Å) Pd–Ge bond lengths. In the second Pd site, Pd is bonded in a 5-coordinate geometry to seven Ce, one Pd, and two Ge atoms. The Pd–Pd bond length is 2.94 Å. There are one shorter (2.61 Å) and one longer (3.12 Å) Pd–Ge bond lengths. In the third Pd site, Pd is bonded in a 10-coordinate geometry to eight Ce and two Ge atoms. There are one shorter (2.64 Å) and one longer (2.88 Å) Pd–Ge bond lengths. In the fourth Pd site, Pd is bonded in a 9-coordinate geometry to six Ce and two Pd atoms. The Pd–Pd bond length is 2.92 Å. In the fifth Pd site, Pd is bonded in a 10-coordinate geometry to eight Ce and two Ge atoms. There are one shorter (2.64 Å) and one longer (2.88 Å) Pd–Ge bond lengths. In the sixth Pd site, Pd is bonded in a 4-coordinate geometry to nine Ce and one Pd atom. The Pd–Pd bond length is 2.92 Å. In the seventh Pd site, Pd is bonded in a 4-coordinate geometry to nine Ce and one Pd atom. The Pd–Pd bond length is 2.92 Å. In the eighth Pd site, Pd is bonded in a 10-coordinate geometry to nine Ce and one Pd atom. In the ninth Pd site, Pd is bonded in a 4-coordinate geometry to nine Ce and one Pd atom. The Pd–Pd bond length is 2.92 Å. In the tenth Pd site, Pd is bonded in a 10-coordinate geometry to eight Ce and two Ge atoms. There are one shorter (2.64 Å) and one longer (2.87 Å) Pd–Ge bond lengths. In the eleventh Pd site, Pd is bonded in a 9-coordinate geometry to six Ce and three Pd atoms. There are one shorter (2.94 Å) and one longer (2.97 Å) Pd–Pd bond lengths. In the twelfth Pd site, Pd is bonded in a 5-coordinate geometry to seven Ce, one Pd, and two Ge atoms. There are one shorter (2.61 Å) and one longer (3.11 Å) Pd–Ge bond lengths. In the thirteenth Pd site, Pd is bonded in a 9-coordinate geometry to six Ce and three Pd atoms. The Pd–Pd bond length is 2.94 Å. In the fourteenth Pd site, Pd is bonded in a 9-coordinate geometry to six Ce and two Pd atoms. The Pd–Pd bond length is 2.94 Å. In the fifteenth Pd site, Pd is bonded in a 5-coordinate geometry to seven Ce, one Pd, and two Ge atoms. There are one shorter (2.62 Å) and one longer (3.12 Å) Pd–Ge bond lengths. In the sixteenth Pd site, Pd is bonded in a 5-coordinate geometry to seven Ce, one Pd, and two Ge atoms. There are one shorter (2.61 Å) and one longer (3.12 Å) Pd–Ge bond lengths. There are eight inequivalent Ge sites. In the first Ge site, Ge is bonded in a 10-coordinate geometry to seven Ce, two Pd, and one Ge atom. The Ge–Ge bond length is 2.58 Å. In the second Ge site, Ge is bonded in a 10-coordinate geometry to seven Ce, two Pd, and one Ge atom. The Ge–Ge bond length is 2.58 Å. In the third Ge site, Ge is bonded in a 9-coordinate geometry to six Ce, two Pd, and one Ge atom. The Ge–Ge bond length is 2.59 Å. In the fourth Ge site, Ge is bonded in a 9-coordinate geometry to six Ce, two Pd, and one Ge atom. In the fifth Ge site, Ge is bonded in a 10-coordinate geometry to seven Ce, two Pd, and one Ge atom. In the sixth Ge site, Ge is bonded in a 9-coordinate geometry to six Ce, two Pd, and one Ge atom. The Ge–Ge bond length is 2.59 Å. In the seventh Ge site, Ge is bonded in a 10-coordinate geometry to seven Ce, two Pd, and one Ge atom. In the eighth Ge site, Ge is bonded in a 9-coordinate geometry to six Ce, two Pd, and one Ge atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on La2Pd2Pb by Materials Project

La2Pd2Pb crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. La is bonded in a 10-coordinate geometry to six equivalent Pd and four equivalent Pb atoms. There are two shorter (3.00 Å) and four longer (3.17 Å) La–Pd bond lengths. All La–Pb bond lengths are 3.56 Å. Pd is bonded in a 6-coordinate geometry to six equivalent La, one Pd, and two equivalent Pb atoms. The Pd–Pd bond length is 2.82 Å. Both Pd–Pb bond lengths are 3.18 Å. Pb is bonded to eight equivalent La and four equivalent Pd atoms to form a mixture of corner and face-sharing PbLa8Pd4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ce2Pd2Pb by Materials Project

Ce2Pd2Pb crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Ce is bonded in a 10-coordinate geometry to six equivalent Pd and four equivalent Pb atoms. There are two shorter (2.93 Å) and four longer (3.08 Å) Ce–Pd bond lengths. All Ce–Pb bond lengths are 3.49 Å. Pd is bonded in a 6-coordinate geometry to six equivalent Ce, one Pd, and two equivalent Pb atoms. The Pd–Pd bond length is 2.83 Å. Both Pd–Pb bond lengths are 3.14 Å. Pb is bonded to eight equivalent Ce and four equivalent Pd atoms to form a mixture of corner and face-sharing PbCe8Pd4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Y2Pd2Pb by Materials Project

Y2Pd2Pb crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Y is bonded in a 10-coordinate geometry to six equivalent Pd and four equivalent Pb atoms. There are two shorter (2.92 Å) and four longer (3.00 Å) Y–Pd bond lengths. All Y–Pb bond lengths are 3.46 Å. Pd is bonded in a 6-coordinate geometry to six equivalent Y, one Pd, and two equivalent Pb atoms. The Pd–Pd bond length is 2.81 Å. Both Pd–Pb bond lengths are 3.14 Å. Pb is bonded to eight equivalent Y and four equivalent Pd atoms to form a mixture of face and corner-sharing PbY8Pd4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Pu3Pd5 by Materials Project

Pu3Pd5 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Pu sites. In the first Pu site, Pu is bonded in a 10-coordinate geometry to ten Pd atoms. There are a spread of Pu–Pd bond distances ranging from 2.97–3.23 Å. In the second Pu site, Pu is bonded in a 9-coordinate geometry to nine Pd atoms. There are a spread of Pu–Pd bond distances ranging from 2.82–3.20 Å. There are three inequivalent Pd sites. In the first Pd site, Pd is bonded in a 3-coordinate geometry to six Pu and four Pd atoms. There are a spread of Pd–Pd bond distances ranging from 2.80–3.08 Å. In the second Pd site, Pd is bonded in a 6-coordinate geometry to six Pu and four Pd atoms. There are one shorter (2.85 Å) and one longer (2.88 Å) Pd–Pd bond lengths. In the third Pd site, Pd is bonded in a 5-coordinate geometry to five Pu and six Pd atoms.

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

Distinct xylem responses to acute vs prolonged drought in pine trees

Increasing dryness challenges trees’ ability to maintain water transport to the leaves. Most plant hydraulics models use a static xylem response to water stress. Yet, in reality, lower soil moisture and warmer temperatures during growing seasons feed back onto xylem development. In turn, adjustments to water stress in the newly built xylem influence future physiological responses to droughts. In this study, we investigate the annual variation of anatomical traits in branch xylem in response to different soil and atmospheric moisture conditions and tree stress levels, as indicated by seasonal predawn leaf water potential (??L,pd). We used a 6-year field experiment in southwestern USA with three soil water treatments applied to Pinus edulis Engelm trees—ambient, drought (45% rain reduction) and irrigation (15–35% annual water addition). All trees were also subject to a natural 1-year acute drought (soil and atmospheric) that occurred during the experiment. The irrigated trees showed only moderate changes in anatomy-derived hydraulic traits compared with the ambient trees, suggesting a generally stable, well-balanced xylem structure under unstressed conditions. The artificial prolonged soil drought increased hydraulic efficiency but lowered xylem construction costs and decreased tracheid implosion safety ((t/b)2), suggesting that annual adjustments of xylem structure follow a safety–efficiency trade-off. The acute drought plunged hydraulic efficiency across all treatments. The combination of acute and prolonged drought resulted in vulnerable and inefficient new xylem, disrupting the stability of the anatomical trade-off observed in the rest of the years. The xylem hydraulic traits showed no consistent direct link to ??L,pd. In the future, changes in seasonality of soil and atmospheric moisture are likely to have a critical impact on the ability of P. edulis to acclimate its xylem to warmer climate. Furthermore, the increasing frequency of acute droughts might reduce hydraulic resilience of P. edulis by repeatedly creating vulnerable and less efficient anatomical structure.

Guerin, Marceau↗
DOE OSTI2020

Materials Data on Hf2InPd2 by Materials Project

Hf2Pd2In crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. there are two inequivalent Hf sites. In the first Hf site, Hf is bonded in a 6-coordinate geometry to six equivalent Pd and four equivalent In atoms. There are two shorter (2.76 Å) and four longer (2.85 Å) Hf–Pd bond lengths. All Hf–In bond lengths are 3.32 Å. In the second Hf site, Hf is bonded in a 6-coordinate geometry to six equivalent Pd and four equivalent In atoms. There are two shorter (2.75 Å) and four longer (2.82 Å) Hf–Pd bond lengths. All Hf–In bond lengths are 3.24 Å. Pd is bonded in a 6-coordinate geometry to six Hf and two equivalent In atoms. Both Pd–In bond lengths are 2.97 Å. In is bonded in a 12-coordinate geometry to eight Hf, four equivalent Pd, and two equivalent In atoms. Both In–In bond lengths are 3.38 Å.

36 MATERIALS SCIENCE↗