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At least 577 records · Page 32
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DOE OSTI2020

Materials Data on CePaO4 by Materials Project

PaCeO4 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 2.33 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 edge and corner-sharing OCe2Pa2 tetrahedra.

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DOE OSTI2020

Materials Data on PaGaTc2 by Materials Project

PaTc2Ga 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 2.83 Å. Tc3- is bonded in a body-centered cubic geometry to four equivalent Pa3+ and four equivalent Ga3+ atoms. All Tc–Ga bond lengths are 2.83 Å. Ga3+ is bonded in a body-centered cubic geometry to eight equivalent Tc3- atoms.

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DOE OSTI2020

Materials Data on ScPaTc2 by Materials Project

PaScTc2 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 2.89 Å. Sc3+ is bonded in a body-centered cubic geometry to eight equivalent Tc3- atoms. All Sc–Tc bond lengths are 2.89 Å. Tc3- is bonded in a body-centered cubic geometry to four equivalent Pa3+ and four equivalent Sc3+ atoms.

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DOE OSTI2020

Materials Data on PaSiTc2 by Materials Project

PaTc2Si is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Pa3+ is bonded in a 6-coordinate geometry to six equivalent Si4- atoms. All Pa–Si bond lengths are 3.24 Å. Tc+0.50+ is bonded to four equivalent Si4- atoms to form a mixture of distorted edge and corner-sharing TcSi4 tetrahedra. All Tc–Si bond lengths are 2.80 Å. Si4- is bonded in a 8-coordinate geometry to six equivalent Pa3+ and eight equivalent Tc+0.50+ atoms.

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DOE OSTI2020

Materials Data on PaSi3 by Materials Project

PaSi3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Pa4+ is bonded to twelve equivalent Si+1.33- atoms to form a mixture of face and corner-sharing PaSi12 cuboctahedra. All Pa–Si bond lengths are 2.91 Å. Si+1.33- is bonded in a distorted square co-planar geometry to four equivalent Pa4+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PaInPt2 by Materials Project

PaPt2In 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 Pt2- atoms. All Pa–Pt bond lengths are 2.98 Å. Pt2- is bonded in a body-centered cubic geometry to four equivalent Pa3+ and four equivalent In1+ atoms. All Pt–In bond lengths are 2.98 Å. In1+ is bonded in a body-centered cubic geometry to eight equivalent Pt2- atoms.

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DOE OSTI2020

Materials Data on PaTe2Au by Materials Project

PaAuTe2 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 3.22 Å. Au1+ is bonded in a body-centered cubic geometry to eight equivalent Te2- atoms. All Au–Te bond lengths are 3.22 Å. Te2- is bonded in a body-centered cubic geometry to four equivalent Pa3+ and four equivalent Au1+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PaTiTc2 by Materials Project

PaTiTc2 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 2.84 Å. Ti3+ is bonded in a body-centered cubic geometry to eight equivalent Tc3- atoms. All Ti–Tc bond lengths are 2.84 Å. Tc3- is bonded in a body-centered cubic geometry to four equivalent Pa3+ and four equivalent Ti3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PaTlO3 by Materials Project

PaTlO3 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 TlO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Pa–O bond lengths are 2.20 Å. Tl1+ is bonded to twelve equivalent O2- atoms to form TlO12 cuboctahedra that share corners with twelve equivalent TlO12 cuboctahedra, faces with six equivalent TlO12 cuboctahedra, and faces with eight equivalent PaO6 octahedra. All Tl–O bond lengths are 3.12 Å. O2- is bonded in a distorted linear geometry to two equivalent Pa5+ and four equivalent Tl1+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PaB3 by Materials Project

PaB3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Pa3+ is bonded in a 12-coordinate geometry to twelve equivalent B1- atoms. There are six shorter (2.70 Å) and six longer (2.77 Å) Pa–B bond lengths. B1- is bonded in a 10-coordinate geometry to four equivalent Pa3+ and six equivalent B1- atoms. There is two shorter (1.84 Å) and four longer (2.02 Å) B–B bond length.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PaI3 by Materials Project

PaI3 crystallizes in the hexagonal P6_3/mmc space group. The structure is one-dimensional and consists of two PaI3 ribbons oriented in the (0, 0, 1) direction. Pa3+ is bonded to six equivalent I1- atoms to form distorted face-sharing PaI6 pentagonal pyramids. All Pa–I bond lengths are 3.14 Å. I1- is bonded in a distorted L-shaped geometry to two equivalent Pa3+ atoms.

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DOE OSTI2020

Materials Data on PaP3 by Materials Project

PaP3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Pa3+ is bonded to twelve equivalent P1- atoms to form a mixture of distorted face and corner-sharing PaP12 cuboctahedra. There are six shorter (2.79 Å) and six longer (3.06 Å) Pa–P bond lengths. P1- is bonded in a distorted hexagonal planar geometry to four equivalent Pa3+ and two equivalent P1- atoms. Both P–P bond lengths are 2.39 Å.

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DOE OSTI2020

Materials Data on PaO2 by Materials Project

PaO2 is Hydrophilite structured and crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. Pa4+ is bonded to six equivalent O2- atoms to form a mixture of edge and corner-sharing PaO6 octahedra. The corner-sharing octahedral tilt angles are 52°. There are two shorter (2.27 Å) and four longer (2.30 Å) Pa–O bond lengths. O2- is bonded in a trigonal planar geometry to three equivalent Pa4+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PaS3 by Materials Project

PaS3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Pa5+ is bonded to twelve equivalent S+1.67- atoms to form a mixture of face and corner-sharing PaS12 cuboctahedra. There are six shorter (2.88 Å) and six longer (2.95 Å) Pa–S bond lengths. S+1.67- is bonded in a 4-coordinate geometry to four equivalent Pa5+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PaTe3 by Materials Project

PaTe3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Pa5+ is bonded to twelve equivalent Te+1.67- atoms to form PaTe12 cuboctahedra that share corners with six equivalent PaTe12 cuboctahedra, corners with twelve equivalent TePa4Te8 cuboctahedra, edges with eighteen equivalent TePa4Te8 cuboctahedra, faces with eight equivalent PaTe12 cuboctahedra, and faces with twelve equivalent TePa4Te8 cuboctahedra. There are six shorter (3.35 Å) and six longer (3.37 Å) Pa–Te bond lengths. Te+1.67- is bonded to four equivalent Pa5+ and eight equivalent Te+1.67- atoms to form distorted TePa4Te8 cuboctahedra that share corners with four equivalent PaTe12 cuboctahedra, corners with fourteen equivalent TePa4Te8 cuboctahedra, edges with six equivalent PaTe12 cuboctahedra, edges with twelve equivalent TePa4Te8 cuboctahedra, faces with four equivalent PaTe12 cuboctahedra, and faces with sixteen equivalent TePa4Te8 cuboctahedra. There are a spread of Te–Te bond distances ranging from 3.17–3.53 Å.

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DOE OSTI2020

Materials Data on Pa2S3 by Materials Project

Pa2S3 is Corundum structured and crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Pa3+ is bonded to six equivalent S2- atoms to form a mixture of face, edge, and corner-sharing PaS6 octahedra. The corner-sharing octahedra tilt angles range from 47–57°. There are three shorter (2.73 Å) and three longer (2.75 Å) Pa–S bond lengths. S2- is bonded to four equivalent Pa3+ atoms to form a mixture of distorted edge and corner-sharing SPa4 trigonal pyramids.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ErPaTc2 by Materials Project

PaErTc2 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. Er3+ is bonded in a body-centered cubic geometry to eight equivalent Tc3- atoms. All Er–Tc bond lengths are 2.96 Å. Tc3- is bonded in a body-centered cubic geometry to four equivalent Pa3+ and four equivalent Er3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PaAgTe2 by Materials Project

PaAgTe2 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 3.22 Å. Ag1+ is bonded in a body-centered cubic geometry to eight equivalent Te2- atoms. All Ag–Te bond lengths are 3.22 Å. Te2- is bonded in a body-centered cubic geometry to four equivalent Pa3+ and four equivalent Ag1+ atoms.

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