Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “Pd”

Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 937 records · Page 52
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on HoInPd by Materials Project

HoPdIn crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Ho is bonded in a 11-coordinate geometry to five Pd and six equivalent In atoms. There are four shorter (3.02 Å) and one longer (3.14 Å) Ho–Pd bond lengths. There are two shorter (3.20 Å) and four longer (3.35 Å) Ho–In bond lengths. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 9-coordinate geometry to six equivalent Ho and three equivalent In atoms. All Pd–In bond lengths are 2.90 Å. In the second Pd site, Pd is bonded in a 9-coordinate geometry to three equivalent Ho and six equivalent In atoms. All Pd–In bond lengths are 2.78 Å. In is bonded in a 10-coordinate geometry to six equivalent Ho and four Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ErInPd by Materials Project

ErPdIn crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Er is bonded in a 11-coordinate geometry to five Pd and six equivalent In atoms. There are four shorter (3.02 Å) and one longer (3.14 Å) Er–Pd bond lengths. There are two shorter (3.19 Å) and four longer (3.34 Å) Er–In bond lengths. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 9-coordinate geometry to three equivalent Er and six equivalent In atoms. All Pd–In bond lengths are 2.77 Å. In the second Pd site, Pd is bonded in a 9-coordinate geometry to six equivalent Er and three equivalent In atoms. All Pd–In bond lengths are 2.89 Å. In is bonded in a 10-coordinate geometry to six equivalent Er and four Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Li2PdO3 by Materials Project

Li2PdO3 is Caswellsilverite-like structured and crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are twenty-four inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to six O2- atoms to form LiO6 octahedra that share a cornercorner with one PdO6 octahedra, corners with five LiO6 octahedra, edges with five PdO6 octahedra, and edges with seven LiO6 octahedra. The corner-sharing octahedra tilt angles range from 4–11°. There are a spread of Li–O bond distances ranging from 2.05–2.46 Å. In the second Li1+ site, Li1+ is bonded to six O2- atoms to form LiO6 octahedra that share corners with six LiO6 octahedra, edges with five PdO6 octahedra, and edges with seven LiO6 octahedra. The corner-sharing octahedra tilt angles range from 7–13°. There are a spread of Li–O bond distances ranging from 2.04–2.29 Å. In the third Li1+ site, Li1+ is bonded to six O2- atoms to form LiO6 octahedra that share corners with six LiO6 octahedra, edges with six LiO6 octahedra, and edges with six PdO6 octahedra. The corner-sharing octahedra tilt angles range from 1–11°. There are a spread of Li–O bond distances ranging from 2.10–2.21 Å. In the fourth Li1+ site, Li1+ is bonded to six O2- atoms to form LiO6 octahedra that share corners with two LiO6 octahedra, corners with four PdO6 octahedra, edges with three PdO6 octahedra, and edges with nine LiO6 octahedra. The corner-sharing octahedra tilt angles range from 4–13°. There are a spread of Li–O bond distances ranging from 1.98–2.42 Å. In the fifth Li1+ site, Li1+ is bonded to six O2- atoms to form LiO6 octahedra that share corners with two PdO6 octahedra, corners with four LiO6 octahedra, edges with five PdO6 octahedra, and edges with seven LiO6 octahedra. The corner-sharing octahedra tilt angles range from 5–13°. There are a spread of Li–O bond distances ranging from 2.01–2.37 Å. In the sixth Li1+ site, Li1+ is bonded to six O2- atoms to form LiO6 octahedra that share corners with three LiO6 octahedra, corners with three PdO6 octahedra, edges with four PdO6 octahedra, and edges with eight LiO6 octahedra. The corner-sharing octahedra tilt angles range from 3–15°. There are a spread of Li–O bond distances ranging from 2.00–2.48 Å. In the seventh Li1+ site, Li1+ is bonded to six O2- atoms to form LiO6 octahedra that share corners with six LiO6 octahedra, edges with six LiO6 octahedra, and edges with six PdO6 octahedra. The corner-sharing octahedra tilt angles range from 2–8°. There are a spread of Li–O bond distances ranging from 2.10–2.17 Å. In the eighth Li1+ site, Li1+ is bonded to six O2- atoms to form LiO6 octahedra that share corners with two LiO6 octahedra, corners with four PdO6 octahedra, edges with four PdO6 octahedra, and edges with eight LiO6 octahedra. The corner-sharing octahedra tilt angles range from 2–13°. There are a spread of Li–O bond distances ranging from 2.06–2.39 Å. In the ninth Li1+ site, Li1+ is bonded to six O2- atoms to form LiO6 octahedra that share corners with three LiO6 octahedra, corners with three PdO6 octahedra, edges with four PdO6 octahedra, and edges with eight LiO6 octahedra. The corner-sharing octahedra tilt angles range from 3–12°. There are a spread of Li–O bond distances ranging from 2.00–2.38 Å. In the tenth Li1+ site, Li1+ is bonded to six O2- atoms to form LiO6 octahedra that share corners with two LiO6 octahedra, corners with four PdO6 octahedra, edges with four PdO6 octahedra, and edges with eight LiO6 octahedra. The corner-sharing octahedra tilt angles range from 1–11°. There are a spread of Li–O bond distances ranging from 2.08–2.29 Å. In the eleventh Li1+ site, Li1+ is bonded to six O2- atoms to form LiO6 octahedra that share corners with six LiO6 octahedra, edges with six LiO6 octahedra, and edges with six PdO6 octahedra. The corner-sharing octahedra tilt angles range from 2–12°. There are a spread of Li–O bond distances ranging from 2.06–2.21 Å. In the twelfth Li1+ site, Li1+ is bonded to six O2- atoms to form LiO6 octahedra that share corners with two LiO6 octahedra, corners with four PdO6 octahedra, edges with four PdO6 octahedra, and edges with eight LiO6 octahedra. The corner-sharing octahedra tilt angles range from 3–11°. There are a spread of Li–O bond distances ranging from 2.06–2.38 Å. In the thirteenth Li1+ site, Li1+ is bonded to six O2- atoms to form LiO6 octahedra that share corners with two LiO6 octahedra, corners with four PdO6 octahedra, edges with four PdO6 octahedra, and edges with eight LiO6 octahedra. The corner-sharing octahedra tilt angles range from 3–11°. There are a spread of Li–O bond distances ranging from 2.09–2.38 Å. In the fourteenth Li1+ site, Li1+ is bonded to six O2- atoms to form LiO6 octahedra that share corners with two LiO6 octahedra, corners with four PdO6 octahedra, edges with four PdO6 octahedra, and edges with eight LiO6 octahedra. The corner-sharing octahedra tilt angles range from 2–9°. There are a spread of Li–O bond distances ranging from 2.05–2.31 Å. In the fifteenth Li1+ site, Li1+ is bonded to six O2- atoms to form LiO6 octahedra that share a cornercorner with one PdO6 octahedra, corners with five LiO6 octahedra, edges with five PdO6 octahedra, and edges with seven LiO6 octahedra. The corner-sharing octahedra tilt angles range from 3–13°. There are a spread of Li–O bond distances ranging from 2.03–2.35 Å. In the sixteenth Li1+ site, Li1+ is bonded to six O2- atoms to form LiO6 octahedra that share corners with two LiO6 octahedra, corners with four PdO6 octahedra, edges with five PdO6 octahedra, and edges with seven LiO6 octahedra. The corner-sharing octahedra tilt angles range from 1–11°. There are a spread of Li–O bond distances ranging from 2.05–2.38 Å. In the seventeenth Li1+ site, Li1+ is bonded to six O2- atoms to form LiO6 octahedra that share a cornercorner with one LiO6 octahedra, corners with five PdO6 octahedra, edges with four PdO6 octahedra, and edges with eight LiO6 octahedra. The corner-sharing octahedra tilt angles range from 3–8°. There are a spread of Li–O bond distances ranging from 2.03–2.32 Å. In the eighteenth Li1+ site, Li1+ is bonded to six O2- atoms to form LiO6 octahedra that share corners with two LiO6 octahedra, corners with four PdO6 octahedra, edges with five PdO6 octahedra, and edges with seven LiO6 octahedra. The corner-sharing octahedra tilt angles range from 2–10°. There are a spread of Li–O bond distances ranging from 2.07–2.34 Å. In the nineteenth Li1+ site, Li1+ is bonded to six O2- atoms to form LiO6 octahedra that share corners with three LiO6 octahedra, corners with three PdO6 octahedra, edges with four PdO6 octahedra, and edges with eight LiO6 octahedra. The corner-sharing octahedra tilt angles range from 2–12°. There are a spread of Li–O bond distances ranging from 1.96–2.41 Å. In the twentieth Li1+ site, Li1+ is bonded to six O2- atoms to form LiO6 octahedra that share a cornercorner with one LiO6 octahedra, corners with five PdO6 octahedra, edges with four PdO6 octahedra, and edges with eight LiO6 octahedra. The corner-sharing octahedra tilt angles range from 2–12°. There are a spread of Li–O bond distances ranging from 2.05–2.40 Å. In the twenty-first Li1+ site, Li1+ is bonded to six O2- atoms to form LiO6 octahedra that share corners with two LiO6 octahedra, corners with four PdO6 octahedra, edges with four PdO6 octahedra, and edges with eight LiO6 octahedra. The corner-sharing octahedra tilt angles range from 3–10°. There are a spread of Li–O bond distances ranging from 2.03–2.44 Å. In the twenty-second Li1+ site, Li1+ is bonded to six O2- atoms to form LiO6 octahedra that share corners with three LiO6 octahedra, corners with three PdO6 octahedra, edges with four PdO6 octahedra, and edges with eight LiO6 octahedra. The corner-sharing octahedra tilt angles range from 2–7°. There are a spread of Li–O bond distances ranging from 1.98–2.41 Å. In the twenty-third Li1+ site, Li1+ is bonded to six O2- atoms to form LiO6 octahedra that share corners with three LiO6 octahedra, corners with three PdO6 octahedra, edges with four PdO6 octahedra, and edges with eight LiO6 octahedra. The corner-sharing octahedra tilt angles range from 1–8°. There are a spread of Li–O bond distances ranging from 1.96–2.29 Å. In the twenty-fourth Li1+ site, Li1+ is bonded to six O2- atoms to form LiO6 octahedra that share a cornercorner with one PdO6 octahedra, corners with five LiO6 octahedra, edges with five PdO6 octahedra, and edges with seven LiO6 octahedra. The corner-sharing octahedra tilt angles range from 5–15°. There are a spread of Li–O bond distances ranging from 2.02–2.41 Å. There are twelve inequivalent Pd4+ sites. In the first Pd4+ site, Pd4+ is bonded to six O2- atoms to form PdO6 octahedra that share corners with six LiO6 octahedra, edges with three PdO6 octahedra, and edges with nine LiO6 octahedra. The corner-sharing octahedra tilt angles range from 2–8°. There are a spread of Pd–O bond distances ranging from 2.02–2.07 Å. In the second Pd4+ site, Pd4+ is bonded to six O2- atoms to form PdO6 octahedra that share corners with six LiO6 octahedra, edges with three PdO6 octahedra, and edges with nine LiO6 octahedra. The corner-sharing octahedra tilt angles range from 3–10°. There are a spread of Pd–O bond distances ranging from 2.02–2.07 Å. In the third Pd4+ site, Pd4+ is bonded to six O2- atoms to form PdO6 octahedra that share corners with six LiO6 octahedra, edges with three PdO6 octahedra, and edges with nine LiO6 octahedra. The corner-sharing octahedra tilt angles range from 3–10°. There are a spread of Pd–O bond distances ranging from 2.03–2.06 Å. In the fourth Pd4+ site, Pd4+ is bonded to six O2- atoms to form PdO6 octahedra that share corners with six LiO6 octahedra, edges with three PdO6 octahedra, and edges with nine LiO6 octahedra. The corner-sharing octahedra tilt angles range from 2–8°. There are a spread of Pd–O bond distances ranging from 2.02–2.06 Å. In the fifth Pd4+ site, Pd4+ is bonded to six O2- atoms to form PdO6 octahedra that share corners with six LiO6 octahedra, edges with four PdO6 octahedra, and edges with eight LiO6 octahedra. The corner-sharing octahedra tilt angles range from 4–7°. There are a spread of Pd–O bond distances ranging from 2.04–2.07 Å. In the sixth Pd4+ site, Pd4+ is bonded to six O2- atoms to form PdO6 octahedra that share corners with six LiO6 octahedra, edges with four PdO6 octahedra, and edges with eight LiO6 octahedra. The corner-sharing octahedra tilt angles range from 1–9°. There are a spread of Pd–O bond distances ranging from 2.01–2.09 Å. In the seventh Pd4+ site, Pd4+ is bonded to six O2- atoms to form PdO6 octahedra that share corners with six LiO6 octahedra, edges with four PdO6 octahedra, and edges with eight LiO6 octahedra. The corner-sharing octahedra tilt angles range from 2–11°. There are a spread of Pd–O bond distances ranging from 2.00–2.10 Å. In the eighth Pd4+ site, Pd4+ is bonded to six O2- atoms to form PdO6 octahedra that share corners with six LiO6 octahedra, edges with three PdO6 octahedra, and edges with nine LiO6 octahedra. The corner-sharing octahedra tilt angles range from 1–11°. There are a spread of Pd–O bond distances ranging from 2.02–2.08 Å. In the ninth Pd4+ site, Pd4+ is bonded to six O2- atoms to form PdO6 octahedra that share a cornercorner with one PdO6 octahedra, corners with five LiO6 octahedra, edges with two equivalent PdO6 octahedra, and edges with ten LiO6 octahedra. The corner-sharing octahedra tilt angles range from 2–15°. There are a spread of Pd–O bond distances ranging from 1.99–2.11 Å. In the tenth Pd4+ site, Pd4+ is bonded to six O2- atoms to form PdO6 octahedra that share a cornercorner with one PdO6 octahedra, corners with five LiO6 octahedra, edges with two PdO6 octahedra, and edges with ten LiO6 octahedra. The corner-sharing octahedra tilt angles range from 3–9°. There are a spread of Pd–O bond distances ranging from 2.01–2.14 Å. In the eleventh Pd4+ site, Pd4+ is bonded to si

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SmHgPd by Materials Project

SmPdHg crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Sm is bonded in a 11-coordinate geometry to five Pd and six equivalent Hg atoms. There are four shorter (3.08 Å) and one longer (3.12 Å) Sm–Pd bond lengths. There are two shorter (3.26 Å) and four longer (3.38 Å) Sm–Hg bond lengths. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 9-coordinate geometry to three equivalent Sm and six equivalent Hg atoms. All Pd–Hg bond lengths are 2.85 Å. In the second Pd site, Pd is bonded in a 9-coordinate geometry to six equivalent Sm and three equivalent Hg atoms. All Pd–Hg bond lengths are 2.90 Å. Hg is bonded in a 10-coordinate geometry to six equivalent Sm and four Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SmTlPd by Materials Project

SmPdTl crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Sm is bonded in a 11-coordinate geometry to five Pd and six equivalent Tl atoms. There are four shorter (3.10 Å) and one longer (3.21 Å) Sm–Pd bond lengths. There are two shorter (3.27 Å) and four longer (3.42 Å) Sm–Tl bond lengths. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 9-coordinate geometry to three equivalent Sm and six equivalent Tl atoms. All Pd–Tl bond lengths are 2.86 Å. In the second Pd site, Pd is bonded in a 9-coordinate geometry to six equivalent Sm and three equivalent Tl atoms. All Pd–Tl bond lengths are 2.96 Å. Tl is bonded in a 10-coordinate geometry to six equivalent Sm and four Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NdSbPd by Materials Project

NdPdSb crystallizes in the orthorhombic Pmma space group. The structure is three-dimensional. there are two inequivalent Nd sites. In the first Nd site, Nd is bonded to eight equivalent Pd and four equivalent Sb atoms to form a mixture of edge and face-sharing NdSb4Pd8 cuboctahedra. There are four shorter (3.27 Å) and four longer (3.39 Å) Nd–Pd bond lengths. There are two shorter (3.28 Å) and two longer (3.34 Å) Nd–Sb bond lengths. In the second Nd site, Nd is bonded to four equivalent Pd and eight equivalent Sb atoms to form a mixture of edge and face-sharing NdSb8Pd4 cuboctahedra. There are two shorter (3.37 Å) and two longer (3.42 Å) Nd–Pd bond lengths. There are four shorter (3.35 Å) and four longer (3.39 Å) Nd–Sb bond lengths. Pd is bonded in a 9-coordinate geometry to six Nd, one Pd, and two equivalent Sb atoms. The Pd–Pd bond length is 2.73 Å. Both Pd–Sb bond lengths are 2.61 Å. Sb is bonded in a 9-coordinate geometry to six Nd, two equivalent Pd, and one Sb atom. The Sb–Sb bond length is 2.91 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PrCdPd by Materials Project

PrPdCd crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Pr is bonded in a 11-coordinate geometry to five Pd and six equivalent Cd atoms. There are four shorter (3.12 Å) and one longer (3.19 Å) Pr–Pd bond lengths. There are two shorter (3.35 Å) and four longer (3.45 Å) Pr–Cd bond lengths. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 9-coordinate geometry to six equivalent Pr and three equivalent Cd atoms. All Pd–Cd bond lengths are 2.97 Å. In the second Pd site, Pd is bonded in a 9-coordinate geometry to three equivalent Pr and six equivalent Cd atoms. All Pd–Cd bond lengths are 2.82 Å. Cd is bonded in a 4-coordinate geometry to six equivalent Pr and four Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YPdPb by Materials Project

YPdPb crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Y is bonded in a 10-coordinate geometry to four Pd and six equivalent Pb atoms. There are two shorter (2.92 Å) and two longer (2.96 Å) Y–Pd bond lengths. There are two shorter (3.26 Å) and four longer (3.44 Å) Y–Pb bond lengths. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 6-coordinate geometry to six equivalent Y and three equivalent Pb atoms. All Pd–Pb bond lengths are 3.19 Å. In the second Pd site, Pd is bonded in a distorted trigonal planar geometry to three equivalent Y and six equivalent Pb atoms. All Pd–Pb bond lengths are 3.14 Å. Pb is bonded in a 11-coordinate geometry to six equivalent Y and five Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on GdCdPd by Materials Project

GdPdCd crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Gd is bonded in a 11-coordinate geometry to five Pd and six equivalent Cd atoms. There are four shorter (3.05 Å) and one longer (3.11 Å) Gd–Pd bond lengths. There are two shorter (3.27 Å) and four longer (3.37 Å) Gd–Cd bond lengths. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 9-coordinate geometry to three equivalent Gd and six equivalent Cd atoms. All Pd–Cd bond lengths are 2.78 Å. In the second Pd site, Pd is bonded in a 9-coordinate geometry to six equivalent Gd and three equivalent Cd atoms. All Pd–Cd bond lengths are 2.90 Å. Cd is bonded in a 4-coordinate geometry to six equivalent Gd and four Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Nd11In9Pd4 by Materials Project

Nd11Pd4In9 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. there are five inequivalent Nd sites. In the first Nd site, Nd is bonded in a 9-coordinate geometry to four equivalent Pd and five In atoms. All Nd–Pd bond lengths are 3.10 Å. There are one shorter (3.14 Å) and four longer (3.39 Å) Nd–In bond lengths. In the second Nd site, Nd is bonded in a 8-coordinate geometry to two equivalent Pd and six In atoms. Both Nd–Pd bond lengths are 2.91 Å. There are a spread of Nd–In bond distances ranging from 3.32–3.50 Å. In the third Nd site, Nd is bonded in a 9-coordinate geometry to four equivalent Pd and five In atoms. All Nd–Pd bond lengths are 3.12 Å. There are one shorter (3.15 Å) and four longer (3.39 Å) Nd–In bond lengths. In the fourth Nd site, Nd is bonded in a distorted body-centered cubic geometry to eight In atoms. There are four shorter (3.38 Å) and four longer (3.53 Å) Nd–In bond lengths. In the fifth Nd site, Nd is bonded in a distorted body-centered cubic geometry to eight equivalent In atoms. All Nd–In bond lengths are 3.32 Å. Pd is bonded in a 8-coordinate geometry to six Nd and two In atoms. There are one shorter (3.15 Å) and one longer (3.22 Å) Pd–In bond lengths. There are three inequivalent In sites. In the first In site, In is bonded in a 10-coordinate geometry to eight Nd, one Pd, and one In atom. The In–In bond length is 3.29 Å. In the second In site, In is bonded in a 10-coordinate geometry to eight Nd, one Pd, and one In atom. The In–In bond length is 3.20 Å. In the third In site, In is bonded in a square co-planar geometry to four Nd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NaH2Pd3 by Materials Project

NaPd3H2 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Na is bonded in a 4-coordinate geometry to ten Pd and two equivalent H atoms. There are two shorter (2.86 Å) and eight longer (2.96 Å) Na–Pd bond lengths. Both Na–H bond lengths are 2.48 Å. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a distorted square co-planar geometry to two equivalent Na and two equivalent H atoms. Both Pd–H bond lengths are 1.86 Å. In the second Pd site, Pd is bonded to four equivalent Na and four equivalent H atoms to form distorted PdNa4H4 hexagonal bipyramids that share corners with eight equivalent PdNa4H4 hexagonal bipyramids, corners with eight equivalent HNaPd5 octahedra, edges with eight equivalent PdNa4H4 hexagonal bipyramids, and faces with four equivalent PdNa4H4 hexagonal bipyramids. The corner-sharing octahedra tilt angles range from 43–137°. All Pd–H bond lengths are 2.04 Å. H is bonded to one Na and five Pd atoms to form distorted HNaPd5 octahedra that share corners with eight equivalent PdNa4H4 hexagonal bipyramids, corners with six equivalent HNaPd5 octahedra, and edges with four equivalent HNaPd5 octahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CaPdPb by Materials Project

CaPdPb crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Ca is bonded in a 11-coordinate geometry to five Pd and six equivalent Pb atoms. There are four shorter (3.13 Å) and one longer (3.21 Å) Ca–Pd bond lengths. There are two shorter (3.29 Å) and four longer (3.43 Å) Ca–Pb bond lengths. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 9-coordinate geometry to three equivalent Ca and six equivalent Pb atoms. All Pd–Pb bond lengths are 2.91 Å. In the second Pd site, Pd is bonded in a 9-coordinate geometry to six equivalent Ca and three equivalent Pb atoms. All Pd–Pb bond lengths are 2.96 Å. Pb is bonded in a distorted q6 geometry to six equivalent Ca and four Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on AlPdO3 by Materials Project

PdAlO3 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Pd sites. In the first Pd site, Pd is bonded to six O atoms to form PdO6 octahedra that share corners with six equivalent AlO4 tetrahedra and edges with five PdO6 octahedra. There are a spread of Pd–O bond distances ranging from 2.09–2.15 Å. In the second Pd site, Pd is bonded to six O atoms to form PdO6 octahedra that share corners with eight equivalent AlO4 tetrahedra and edges with three equivalent PdO6 octahedra. There are two shorter (2.03 Å) and four longer (2.23 Å) Pd–O bond lengths. Al is bonded to four O atoms to form AlO4 tetrahedra that share corners with seven PdO6 octahedra and corners with two equivalent AlO4 tetrahedra. The corner-sharing octahedra tilt angles range from 55–68°. There are a spread of Al–O bond distances ranging from 1.77–1.84 Å. There are three inequivalent O sites. In the first O site, O is bonded to three Pd and one Al atom to form a mixture of distorted edge and corner-sharing OAlPd3 tetrahedra. In the second O site, O is bonded in a trigonal planar geometry to one Pd and two equivalent Al atoms. In the third O site, O is bonded in a distorted trigonal planar geometry to two Pd and one Al atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LuAlPd by Materials Project

LuPdAl crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Lu is bonded in a 5-coordinate geometry to five Pd and six equivalent Al atoms. There are one shorter (2.91 Å) and four longer (2.92 Å) Lu–Pd bond lengths. There are two shorter (3.16 Å) and four longer (3.23 Å) Lu–Al bond lengths. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 9-coordinate geometry to three equivalent Lu and six equivalent Al atoms. All Pd–Al bond lengths are 2.63 Å. In the second Pd site, Pd is bonded in a 9-coordinate geometry to six equivalent Lu and three equivalent Al atoms. All Pd–Al bond lengths are 2.73 Å. Al is bonded in a 4-coordinate geometry to six equivalent Lu and four Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NdAlPd by Materials Project

NdPdAl crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Nd is bonded in a 5-coordinate geometry to five Pd atoms. All Nd–Pd bond lengths are 3.04 Å. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 9-coordinate geometry to three equivalent Nd and six equivalent Al atoms. All Pd–Al bond lengths are 2.70 Å. In the second Pd site, Pd is bonded in a 9-coordinate geometry to six equivalent Nd and three equivalent Al atoms. All Pd–Al bond lengths are 2.87 Å. Al is bonded in a 4-coordinate geometry to four Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SmInPd by Materials Project

SmPdIn crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Sm is bonded in a 11-coordinate geometry to five Pd and six equivalent In atoms. There are four shorter (3.07 Å) and one longer (3.21 Å) Sm–Pd bond lengths. There are two shorter (3.26 Å) and four longer (3.41 Å) Sm–In bond lengths. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 9-coordinate geometry to three equivalent Sm and six equivalent In atoms. All Pd–In bond lengths are 2.80 Å. In the second Pd site, Pd is bonded in a 9-coordinate geometry to six equivalent Sm and three equivalent In atoms. All Pd–In bond lengths are 2.96 Å. In is bonded in a 10-coordinate geometry to six equivalent Sm and four Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LaCdPd by Materials Project

LaPdCd crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. La is bonded in a 11-coordinate geometry to five Pd and six equivalent Cd atoms. There are four shorter (3.15 Å) and one longer (3.20 Å) La–Pd bond lengths. There are two shorter (3.39 Å) and four longer (3.48 Å) La–Cd bond lengths. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 9-coordinate geometry to three equivalent La and six equivalent Cd atoms. All Pd–Cd bond lengths are 2.84 Å. In the second Pd site, Pd is bonded in a 9-coordinate geometry to six equivalent La and three equivalent Cd atoms. All Pd–Cd bond lengths are 3.00 Å. Cd is bonded in a 4-coordinate geometry to six equivalent La and four Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TmSnPd by Materials Project

TmPdSn crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Tm is bonded in a 11-coordinate geometry to five Pd and six equivalent Sn atoms. There are four shorter (3.01 Å) and one longer (3.06 Å) Tm–Pd bond lengths. There are two shorter (3.20 Å) and four longer (3.30 Å) Tm–Sn bond lengths. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 9-coordinate geometry to three equivalent Tm and six equivalent Sn atoms. All Pd–Sn bond lengths are 2.78 Å. In the second Pd site, Pd is bonded in a 9-coordinate geometry to six equivalent Tm and three equivalent Sn atoms. All Pd–Sn bond lengths are 2.85 Å. Sn is bonded in a 10-coordinate geometry to six equivalent Tm and four Pd atoms.

36 MATERIALS SCIENCE↗