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At least 595 records · Page 33
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DOE OSTI2020

Materials Data on LiPaPt2 by Materials Project

LiPaPt2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Li1+ is bonded in a body-centered cubic geometry to eight equivalent Pt2- atoms. All Li–Pt bond lengths are 2.90 Å. Pa3+ is bonded in a body-centered cubic geometry to eight equivalent Pt2- atoms. All Pa–Pt bond lengths are 2.90 Å. Pt2- is bonded in a body-centered cubic geometry to four equivalent Li1+ and four equivalent Pa3+ atoms.

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Materials Data on NaPaO3 by Materials Project

NaPaO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Na1+ is bonded to twelve equivalent O2- atoms to form NaO12 cuboctahedra that share corners with twelve equivalent NaO12 cuboctahedra, faces with six equivalent NaO12 cuboctahedra, and faces with eight equivalent PaO6 octahedra. All Na–O bond lengths are 3.08 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 NaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Pa–O bond lengths are 2.18 Å. O2- is bonded in a linear geometry to four equivalent Na1+ and two equivalent Pa5+ atoms.

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Materials Data on PaAlTc2 by Materials Project

PaTc2Al 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 2.82 Å. Tc3- is bonded in a body-centered cubic geometry to four equivalent Pa3+ and four equivalent Al3+ atoms. All Tc–Al bond lengths are 2.82 Å. Al3+ is bonded in a body-centered cubic geometry to eight equivalent Tc3- atoms.

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DOE OSTI2020

Materials Data on TmPaTc2 by Materials Project

PaTmTc2 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 2.95 Å. Tm3+ is bonded in a body-centered cubic geometry to eight equivalent Tc3- atoms. All Tm–Tc bond lengths are 2.95 Å. Tc3- is bonded in a body-centered cubic geometry to four equivalent Pa3+ and four equivalent Tm3+ atoms.

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DOE OSTI2020

Materials Data on LuPaTc2 by Materials Project

PaLuTc2 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 2.94 Å. Lu3+ is bonded in a body-centered cubic geometry to eight equivalent Tc3- atoms. All Lu–Tc bond lengths are 2.94 Å. Tc3- is bonded in a body-centered cubic geometry to four equivalent Pa3+ and four equivalent Lu3+ atoms.

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DOE OSTI2020

Materials Data on PaAu3 by Materials Project

PaAu3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Pa3+ is bonded in a distorted body-centered cubic geometry to fourteen Au1- atoms. There are eight shorter (3.01 Å) and six longer (3.47 Å) Pa–Au bond lengths. There are two inequivalent Au1- sites. In the first Au1- site, Au1- is bonded to four equivalent Pa3+ and four equivalent Au1- atoms to form a mixture of distorted corner, edge, and face-sharing AuPa4Au4 tetrahedra. All Au–Au bond lengths are 3.01 Å. In the second Au1- site, Au1- is bonded in a 8-coordinate geometry to six equivalent Pa3+ and eight equivalent Au1- atoms.

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DOE OSTI2020

Materials Data on DyPaTc2 by Materials Project

PaDyTc2 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. Dy3+ is bonded in a body-centered cubic geometry to eight equivalent Tc3- atoms. All Dy–Tc bond lengths are 2.96 Å. Tc3- is bonded in a body-centered cubic geometry to four equivalent Pa3+ and four equivalent Dy3+ atoms.

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Materials Data on PaBO3 by Materials Project

PaBO3 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 BO6 octahedra. All Pa–O bond lengths are 2.56 Å. B3+ is bonded to six equivalent O2- atoms to form BO6 octahedra that share corners with six equivalent BO6 octahedra and faces with eight equivalent PaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All B–O bond lengths are 1.81 Å. O2- is bonded in a distorted linear geometry to four equivalent Pa3+ and two equivalent B3+ atoms.

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Materials Data on PaAgO3 by Materials Project

PaAgO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. 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 AgO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Pa–O bond lengths are 2.17 Å. Ag1+ is bonded to twelve equivalent O2- atoms to form AgO12 cuboctahedra that share corners with twelve equivalent AgO12 cuboctahedra, faces with six equivalent AgO12 cuboctahedra, and faces with eight equivalent PaO6 octahedra. All Ag–O bond lengths are 3.07 Å. O2- is bonded in a distorted linear geometry to two equivalent Pa5+ and four equivalent Ag1+ atoms.

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Materials Data on PaN by Materials Project

PaN is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Pa3+ is bonded to six equivalent N3- atoms to form a mixture of edge and corner-sharing PaN6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Pa–N bond lengths are 2.48 Å. N3- is bonded to six equivalent Pa3+ atoms to form a mixture of edge and corner-sharing NPa6 octahedra. The corner-sharing octahedral tilt angles are 0°.

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Materials Data on PaC2 by Materials Project

PaC2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Pa4+ is bonded in a distorted q4 geometry to ten equivalent C2- atoms. There are two shorter (2.37 Å) and eight longer (2.65 Å) Pa–C bond lengths. C2- is bonded in a 2-coordinate geometry to five equivalent Pa4+ and one C2- atom. The C–C bond length is 1.37 Å.

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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 9-coordinate geometry to nine P2- atoms. There are a spread of Pa–P bond distances ranging from 2.80–2.92 Å. There are two inequivalent P2- sites. In the first P2- site, P2- is bonded to five equivalent Pa4+ atoms to form a mixture of distorted edge and corner-sharing PPa5 trigonal bipyramids. In the second P2- site, P2- is bonded in a 8-coordinate geometry to four equivalent Pa4+ and four equivalent P2- atoms. All P–P bond lengths are 2.73 Å.

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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.

36 MATERIALS SCIENCE↗
DOE OSTI2020

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.

36 MATERIALS SCIENCE↗
DOE OSTI2020

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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