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At least 613 records · Page 34
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DOE OSTI2020

Materials Data on RbPaO3 by Materials Project

RbPaO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Rb1+ is bonded to twelve equivalent O2- atoms to form RbO12 cuboctahedra that share corners with twelve equivalent RbO12 cuboctahedra, faces with six equivalent RbO12 cuboctahedra, and faces with eight equivalent PaO6 octahedra. All Rb–O bond lengths are 3.12 Å. Pa5+ is bonded to six equivalent O2- atoms to form PaO6 octahedra that share corners with six equivalent PaO6 octahedra and faces with eight equivalent RbO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Pa–O bond lengths are 2.21 Å. O2- is bonded in a distorted linear geometry to four equivalent Rb1+ and two equivalent Pa5+ atoms.

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Materials Data on ScPaO4 by Materials Project

PaScO4 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 2.28 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.

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Materials Data on Rb2PaF7 by Materials Project

Rb2PaF7 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Rb1+ is bonded in a 10-coordinate geometry to ten F1- atoms. There are a spread of Rb–F bond distances ranging from 2.86–3.43 Å. Pa5+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of Pa–F bond distances ranging from 2.18–2.55 Å. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a 1-coordinate geometry to three equivalent Rb1+ and one Pa5+ atom. In the second F1- site, F1- is bonded in a 3-coordinate geometry to four equivalent Rb1+ and one Pa5+ atom. In the third F1- site, F1- is bonded in a 1-coordinate geometry to three equivalent Rb1+ and one Pa5+ atom. In the fourth F1- site, F1- is bonded in a 3-coordinate geometry to two equivalent Rb1+ and two equivalent Pa5+ atoms.

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Materials Data on SmPaO4 by Materials Project

PaSmO4 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. Sm3+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Sm–O bond lengths are 2.41 Å. O2- is bonded to two equivalent Pa5+ and two equivalent Sm3+ atoms to form a mixture of edge and corner-sharing OSm2Pa2 tetrahedra.

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Materials Data on PaTc2Sn by Materials Project

PaTc2Sn is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Pa4+ is bonded in a body-centered cubic geometry to eight equivalent Tc3- atoms. All Pa–Tc bond lengths are 2.91 Å. Tc3- is bonded in a distorted body-centered cubic geometry to four equivalent Pa4+ and four equivalent Sn2+ atoms. All Tc–Sn bond lengths are 2.91 Å. Sn2+ is bonded in a body-centered cubic geometry to eight equivalent Tc3- atoms.

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Materials Data on YPaO4 by Materials Project

PaYO4 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 2.30 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.

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Materials Data on EuPaO4 by Materials Project

PaEuO4 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. Eu3+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Eu–O bond lengths are 2.42 Å. O2- is bonded to two equivalent Pa5+ and two equivalent Eu3+ atoms to form a mixture of edge and corner-sharing OEu2Pa2 tetrahedra.

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Materials Data on ZrPaTc2 by Materials Project

PaZrTc2 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 2.92 Å. Zr3+ is bonded in a body-centered cubic geometry to eight equivalent Tc3- atoms. All Zr–Tc bond lengths are 2.92 Å. Tc3- is bonded in a body-centered cubic geometry to four equivalent Pa3+ and four equivalent Zr3+ atoms.

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Materials Data on GdPaTc2 by Materials Project

PaGdTc2 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 2.98 Å. Gd3+ is bonded in a body-centered cubic geometry to eight equivalent Tc3- atoms. All Gd–Tc bond lengths are 2.98 Å. Tc3- is bonded in a body-centered cubic geometry to four equivalent Pa3+ and four equivalent Gd3+ atoms.

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Materials Data on PaBeO3 by Materials Project

BePaO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Be2+ is bonded to six equivalent O2- atoms to form BeO6 octahedra that share corners with six equivalent BeO6 octahedra and faces with eight equivalent PaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Be–O bond lengths are 1.80 Å. Pa4+ 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 BeO6 octahedra. All Pa–O bond lengths are 2.55 Å. O2- is bonded in a distorted linear geometry to two equivalent Be2+ and four equivalent Pa4+ atoms.

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Materials Data on DyPaO3 by Materials Project

PaDyO3 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 DyO6 octahedra. All Pa–O bond lengths are 3.05 Å. Dy3+ is bonded to six equivalent O2- atoms to form DyO6 octahedra that share corners with six equivalent DyO6 octahedra and faces with eight equivalent PaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Dy–O bond lengths are 2.15 Å. O2- is bonded in a linear geometry to four equivalent Pa3+ and two equivalent Dy3+ atoms.

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Materials Data on SmPaO4 by Materials Project

PaSmO4 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. Sm3+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Sm–O bond lengths are 2.41 Å. O2- is bonded to two equivalent Pa5+ and two equivalent Sm3+ atoms to form a mixture of edge and corner-sharing OSm2Pa2 tetrahedra.

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Materials Data on LuPaO4 by Materials Project

PaLuO4 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. Lu3+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Lu–O bond lengths are 2.32 Å. O2- is bonded to two equivalent Pa5+ and two equivalent Lu3+ atoms to form a mixture of corner and edge-sharing OLu2Pa2 tetrahedra.

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Materials Data on Pa2Cr2O5 by Materials Project

(Cr)2Pa2O5 crystallizes in the tetragonal P4/mmm space group. The structure is two-dimensional and consists of two chromium molecules and one Pa2O5 sheet oriented in the (0, 0, 1) direction. In the Pa2O5 sheet, Pa3+ is bonded to five O2- atoms to form corner-sharing PaO5 square pyramids. All Pa–O bond lengths are 2.15 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to two equivalent Pa3+ atoms. In the second O2- site, O2- is bonded in a linear geometry to two equivalent Pa3+ atoms.

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Materials Data on CsPaO3 by Materials Project

CsPaO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Cs1+ is bonded to twelve equivalent O2- atoms to form CsO12 cuboctahedra that share corners with twelve equivalent CsO12 cuboctahedra, faces with six equivalent CsO12 cuboctahedra, and faces with eight equivalent PaO6 octahedra. All Cs–O bond lengths are 3.15 Å. Pa5+ is bonded to six equivalent O2- atoms to form PaO6 octahedra that share corners with six equivalent PaO6 octahedra and faces with eight equivalent CsO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Pa–O bond lengths are 2.23 Å. O2- is bonded in a distorted linear geometry to four equivalent Cs1+ and two equivalent Pa5+ atoms.

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Materials Data on PmPaO4 by Materials Project

PaPmO4 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. Pm3+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Pm–O bond lengths are 2.42 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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Materials Data on PaOsO3 by Materials Project

PaOsO3 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 OsO6 octahedra. All Pa–O bond lengths are 2.80 Å. Os3+ is bonded to six equivalent O2- atoms to form OsO6 octahedra that share corners with six equivalent OsO6 octahedra and faces with eight equivalent PaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Os–O bond lengths are 1.98 Å. O2- is bonded in a distorted linear geometry to four equivalent Pa3+ and two equivalent Os3+ atoms.

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Materials Data on PaHgTe2 by Materials Project

PaHgTe2 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 Te2- atoms. All Pa–Te bond lengths are 3.31 Å. Hg1+ is bonded in a body-centered cubic geometry to eight equivalent Te2- atoms. All Hg–Te bond lengths are 3.31 Å. Te2- is bonded in a distorted body-centered cubic geometry to four equivalent Pa3+ and four equivalent Hg1+ atoms.

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