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At least 811 records · Page 45
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DOE OSTI2020

Materials Data on PaP2 by Materials Project

PaP2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Pa4+ is bonded in a body-centered cubic geometry to eight P2- atoms. There are four shorter (2.87 Å) and four longer (2.88 Å) Pa–P bond lengths. There are two inequivalent P2- sites. In the first P2- site, P2- is bonded in a distorted hexagonal planar geometry to four equivalent Pa4+ and two equivalent P2- atoms. There are one shorter (2.27 Å) and one longer (2.48 Å) P–P bond lengths. In the second P2- site, P2- is bonded in a 6-coordinate geometry to four equivalent Pa4+ and two equivalent P2- atoms.

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Materials Data on PaSb2 by Materials Project

PaSb2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Pa5+ is bonded in a 9-coordinate geometry to nine Sb+2.50- atoms. There are a spread of Pa–Sb bond distances ranging from 3.15–3.26 Å. There are two inequivalent Sb+2.50- sites. In the first Sb+2.50- site, Sb+2.50- is bonded to five equivalent Pa5+ atoms to form a mixture of distorted corner and edge-sharing SbPa5 trigonal bipyramids. In the second Sb+2.50- site, Sb+2.50- is bonded in a 8-coordinate geometry to four equivalent Pa5+ and four equivalent Sb+2.50- atoms. All Sb–Sb bond lengths are 3.06 Å.

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Materials Data on PaPt5 by Materials Project

PaPt5 crystallizes in the cubic F-43m space group. The structure is three-dimensional. Pa3+ is bonded in a 12-coordinate geometry to sixteen Pt+0.60- atoms. There are twelve shorter (3.12 Å) and four longer (3.26 Å) Pa–Pt bond lengths. There are two inequivalent Pt+0.60- sites. In the first Pt+0.60- site, Pt+0.60- is bonded to four equivalent Pa3+ and twelve equivalent Pt+0.60- atoms to form distorted PtPa4Pt12 tetrahedra that share corners with twelve equivalent PtPa3Pt9 cuboctahedra, faces with twenty-eight equivalent PtPa3Pt9 cuboctahedra, and faces with twelve equivalent PtPa4Pt12 tetrahedra. All Pt–Pt bond lengths are 3.12 Å. In the second Pt+0.60- site, Pt+0.60- is bonded to three equivalent Pa3+ and nine Pt+0.60- atoms to form distorted PtPa3Pt9 cuboctahedra that share corners with eighteen equivalent PtPa3Pt9 cuboctahedra, corners with three equivalent PtPa4Pt12 tetrahedra, edges with six equivalent PtPa3Pt9 cuboctahedra, faces with eighteen equivalent PtPa3Pt9 cuboctahedra, and faces with seven equivalent PtPa4Pt12 tetrahedra. There are three shorter (2.65 Å) and three longer (2.67 Å) Pt–Pt bond lengths.

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Materials Data on PrPaO4 by Materials Project

PaPrO4 is alpha bismuth trifluoride-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 2.32 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.

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Materials Data on KPaO3 by Materials Project

KPaO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. K1+ is bonded to twelve equivalent O2- atoms to form KO12 cuboctahedra that share corners with twelve equivalent KO12 cuboctahedra, faces with six equivalent KO12 cuboctahedra, and faces with eight equivalent PaO6 octahedra. All K–O bond lengths are 3.10 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 KO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Pa–O bond lengths are 2.19 Å. O2- is bonded in a distorted linear geometry to four equivalent K1+ and two equivalent Pa5+ atoms.

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Materials Data on PaSb3 by Materials Project

PaSb3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Pa3+ is bonded to twelve equivalent Sb1- atoms to form a mixture of face and corner-sharing PaSb12 cuboctahedra. There are six shorter (3.18 Å) and six longer (3.49 Å) Pa–Sb bond lengths. Sb1- is bonded in a 2-coordinate geometry to four equivalent Pa3+ and four equivalent Sb1- atoms. There are two shorter (3.09 Å) and two longer (3.27 Å) Sb–Sb bond lengths.

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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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