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At least 631 records · Page 35
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DOE OSTI2020

Materials Data on PmPaO4 by Materials Project

PaPmO4 is Fluorite-derived structured and crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Pa5+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Pa–O bond lengths are 2.31 Å. Pm3+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Pm–O bond lengths are 2.43 Å. O2- is bonded to two equivalent Pa5+ and two equivalent Pm3+ atoms to form a mixture of edge and corner-sharing OPm2Pa2 tetrahedra.

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DOE OSTI2020

Materials Data on CePaO4 by Materials Project

PaCeO4 is Fluorite-derived structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Pa5+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Pa–O bond lengths are 2.33 Å. Ce3+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Ce–O bond lengths are 2.42 Å. O2- is bonded to two equivalent Pa5+ and two equivalent Ce3+ atoms to form a mixture of corner and edge-sharing OCe2Pa2 tetrahedra.

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DOE OSTI2020

Materials Data on ErPaO4 by Materials Project

PaErO4 is Fluorite-derived structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Pa5+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Pa–O bond lengths are 2.30 Å. Er3+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Er–O bond lengths are 2.35 Å. O2- is bonded to two equivalent Pa5+ and two equivalent Er3+ atoms to form a mixture of edge and corner-sharing OEr2Pa2 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PaTaO3 by Materials Project

PaTaO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Pa3+ is bonded to twelve equivalent O2- atoms to form PaO12 cuboctahedra that share corners with twelve equivalent PaO12 cuboctahedra, faces with six equivalent PaO12 cuboctahedra, and faces with eight equivalent TaO6 octahedra. All Pa–O bond lengths are 2.86 Å. Ta3+ is bonded to six equivalent O2- atoms to form TaO6 octahedra that share corners with six equivalent TaO6 octahedra and faces with eight equivalent PaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ta–O bond lengths are 2.02 Å. O2- is bonded in a distorted linear geometry to four equivalent Pa3+ and two equivalent Ta3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LiPaO3 by Materials Project

LiPaO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional and consists of one lithium molecule and one PaO3 framework. In the PaO3 framework, Pa5+ is bonded to six equivalent O2- atoms to form corner-sharing PaO6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Pa–O bond lengths are 2.17 Å. O2- is bonded in a linear geometry to two equivalent Pa5+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PrPaO4 by Materials Project

PaPrO4 is Fluorite-derived structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Pa5+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Pa–O bond lengths are 2.32 Å. Pr3+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Pr–O bond lengths are 2.46 Å. O2- is bonded to two equivalent Pa5+ and two equivalent Pr3+ atoms to form a mixture of edge and corner-sharing OPr2Pa2 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TbPaO4 by Materials Project

PaTbO4 is Fluorite-derived structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Pa5+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Pa–O bond lengths are 2.31 Å. Tb3+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Tb–O bond lengths are 2.38 Å. O2- is bonded to two equivalent Pa5+ and two equivalent Tb3+ atoms to form a mixture of edge and corner-sharing OTb2Pa2 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YbPaO4 by Materials Project

PaYbO4 is Fluorite-derived structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Pa5+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Pa–O bond lengths are 2.29 Å. Yb3+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Yb–O bond lengths are 2.39 Å. O2- is bonded to two equivalent Pa5+ and two equivalent Yb3+ atoms to form a mixture of corner and edge-sharing OYb2Pa2 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ScPaO4 by Materials Project

PaScO4 is Fluorite-derived structured and crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Pa5+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Pa–O bond lengths are 2.28 Å. Sc3+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Sc–O bond lengths are 2.27 Å. O2- is bonded to two equivalent Pa5+ and two equivalent Sc3+ atoms to form a mixture of edge and corner-sharing OSc2Pa2 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LaPaO4 by Materials Project

PaLaO4 is Fluorite-derived structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Pa5+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Pa–O bond lengths are 2.33 Å. La3+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All La–O bond lengths are 2.48 Å. O2- is bonded to two equivalent Pa5+ and two equivalent La3+ atoms to form a mixture of edge and corner-sharing OLa2Pa2 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Cs2PaF7 by Materials Project

Cs2PaF7 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Cs1+ is bonded in a 10-coordinate geometry to ten F1- atoms. There are a spread of Cs–F bond distances ranging from 3.02–3.43 Å. Pa5+ is bonded in a 7-coordinate geometry to nine F1- atoms. There are a spread of Pa–F bond distances ranging from 2.18–2.66 Å. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a 1-coordinate geometry to two equivalent Cs1+ and two equivalent Pa5+ atoms. In the second F1- site, F1- is bonded in a 1-coordinate geometry to three equivalent Cs1+ and one Pa5+ atom. In the third F1- site, F1- is bonded in a 1-coordinate geometry to three equivalent Cs1+ and one Pa5+ atom. In the fourth F1- site, F1- is bonded in a 1-coordinate geometry to four equivalent Cs1+ and one Pa5+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PaInO4 by Materials Project

PaInO4 is Fluorite-derived structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Pa5+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Pa–O bond lengths are 2.30 Å. In3+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All In–O bond lengths are 2.33 Å. O2- is bonded to two equivalent Pa5+ and two equivalent In3+ atoms to form a mixture of corner and edge-sharing OPa2In2 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on HoPaO4 by Materials Project

PaHoO4 is Fluorite-derived structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Pa5+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Pa–O bond lengths are 2.30 Å. Ho3+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Ho–O bond lengths are 2.36 Å. O2- is bonded to two equivalent Pa5+ and two equivalent Ho3+ atoms to form a mixture of edge and corner-sharing OHo2Pa2 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YPaO4 by Materials Project

PaYO4 is Fluorite-derived structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Pa5+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Pa–O bond lengths are 2.30 Å. Y3+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Y–O bond lengths are 2.37 Å. O2- is bonded to two equivalent Pa5+ and two equivalent Y3+ atoms to form a mixture of corner and edge-sharing OY2Pa2 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PaHgO3 by Materials Project

PaHgO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Pa4+ is bonded to six equivalent O2- atoms to form PaO6 octahedra that share corners with six equivalent PaO6 octahedra and faces with eight equivalent HgO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Pa–O bond lengths are 2.19 Å. Hg2+ is bonded to twelve equivalent O2- atoms to form HgO12 cuboctahedra that share corners with twelve equivalent HgO12 cuboctahedra, faces with six equivalent HgO12 cuboctahedra, and faces with eight equivalent PaO6 octahedra. All Hg–O bond lengths are 3.09 Å. O2- is bonded in a linear geometry to two equivalent Pa4+ and four equivalent Hg2+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on HoPaTc2 by Materials Project

PaHoTc2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Pa3+ is bonded in a body-centered cubic geometry to eight equivalent Tc3- atoms. All Pa–Tc bond lengths are 2.96 Å. Ho3+ is bonded in a body-centered cubic geometry to eight equivalent Tc3- atoms. All Ho–Tc bond lengths are 2.96 Å. Tc3- is bonded in a body-centered cubic geometry to four equivalent Pa3+ and four equivalent Ho3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PaSi3 by Materials Project

PaSi3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Pa4+ is bonded to twelve equivalent Si+1.33- atoms to form a mixture of corner and face-sharing PaSi12 cuboctahedra. There are six shorter (2.96 Å) and six longer (2.98 Å) Pa–Si bond lengths. Si+1.33- is bonded in a 10-coordinate geometry to four equivalent Pa4+ and six equivalent Si+1.33- atoms. There are two shorter (2.55 Å) and four longer (2.69 Å) Si–Si bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PaInTc2 by Materials Project

PaTc2In is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Pa3+ is bonded in a body-centered cubic geometry to eight equivalent Tc3- atoms. All Pa–Tc bond lengths are 2.90 Å. Tc3- is bonded in a body-centered cubic geometry to four equivalent Pa3+ and four equivalent In3+ atoms. All Tc–In bond lengths are 2.90 Å. In3+ is bonded in a body-centered cubic geometry to eight equivalent Tc3- atoms.

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