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At least 775 records · Page 43
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DOE OSTI2020

Materials Data on U(CuP)2 by Materials Project

UCu2P2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. U4+ is bonded to six equivalent P3- atoms to form UP6 octahedra that share corners with twelve equivalent CuP4 tetrahedra, edges with six equivalent UP6 octahedra, and edges with six equivalent CuP4 tetrahedra. All U–P bond lengths are 2.77 Å. Cu1+ is bonded to four equivalent P3- atoms to form CuP4 tetrahedra that share corners with six equivalent UP6 octahedra, corners with six equivalent CuP4 tetrahedra, edges with three equivalent UP6 octahedra, and edges with three equivalent CuP4 tetrahedra. The corner-sharing octahedra tilt angles range from 19–54°. There are three shorter (2.35 Å) and one longer (2.40 Å) Cu–P bond lengths. P3- is bonded to three equivalent U4+ and four equivalent Cu1+ atoms to form a mixture of distorted edge and corner-sharing PU3Cu4 pentagonal bipyramids.

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Materials Data on U(PdS2)2 by Materials Project

UPd2S4 crystallizes in the tetragonal I4_1/a space group. The structure is three-dimensional. U4+ is bonded in a 8-coordinate geometry to eight equivalent S2- atoms. There are four shorter (2.78 Å) and four longer (2.87 Å) U–S bond lengths. Pd2+ is bonded in a square co-planar geometry to four equivalent S2- atoms. There are two shorter (2.35 Å) and two longer (2.37 Å) Pd–S bond lengths. S2- is bonded to two equivalent U4+ and two equivalent Pd2+ atoms to form a mixture of distorted edge and corner-sharing SU2Pd2 tetrahedra.

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Materials Data on U(CuSi)2 by Materials Project

UCu2Si2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. U6+ is bonded in a distorted body-centered cubic geometry to eight equivalent Si4- atoms. All U–Si bond lengths are 3.01 Å. Cu1+ is bonded to four equivalent Si4- atoms to form a mixture of edge and corner-sharing CuSi4 tetrahedra. All Cu–Si bond lengths are 2.38 Å. Si4- is bonded in a 9-coordinate geometry to four equivalent U6+, four equivalent Cu1+, and one Si4- atom. The Si–Si bond length is 2.31 Å.

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Materials Data on U(NiP)2 by Materials Project

UNi2P2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. U3+ is bonded in a body-centered cubic geometry to eight equivalent P3- atoms. All U–P bond lengths are 2.88 Å. Ni+1.50+ is bonded to four equivalent P3- atoms to form a mixture of edge and corner-sharing NiP4 tetrahedra. All Ni–P bond lengths are 2.28 Å. P3- is bonded in a 9-coordinate geometry to four equivalent U3+, four equivalent Ni+1.50+, and one P3- atom. The P–P bond length is 2.38 Å.

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Materials Data on U(BiO3)2 by Materials Project

Bi2UO6 crystallizes in the monoclinic C2 space group. The structure is three-dimensional. U6+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are two shorter (2.01 Å) and six longer (2.32 Å) U–O bond lengths. Bi3+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are a spread of Bi–O bond distances ranging from 2.34–2.75 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one U6+ and three equivalent Bi3+ atoms. In the second O2- site, O2- is bonded to four equivalent Bi3+ atoms to form a mixture of edge and corner-sharing OBi4 tetrahedra. In the third O2- site, O2- is bonded in a 4-coordinate geometry to three equivalent U6+ and one Bi3+ atom.

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Materials Data on U(CrC)4 by Materials Project

UCr4C4 crystallizes in the tetragonal I4/m space group. The structure is three-dimensional. U4+ is bonded in a body-centered cubic geometry to eight equivalent C4- atoms. All U–C bond lengths are 2.52 Å. Cr3+ is bonded to four equivalent C4- atoms to form a mixture of corner and edge-sharing CrC4 trigonal pyramids. There is two shorter (1.95 Å) and two longer (1.96 Å) Cr–C bond length. C4- is bonded to two equivalent U4+ and four equivalent Cr3+ atoms to form a mixture of distorted corner, edge, and face-sharing CU2Cr4 octahedra. The corner-sharing octahedra tilt angles range from 0–69°.

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Materials Data on U(SiRu)2 by Materials Project

URu2Si2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. U4+ is bonded to eight equivalent Si4- atoms to form USi8 hexagonal bipyramids that share corners with sixteen equivalent RuSi4 tetrahedra, edges with four equivalent USi8 hexagonal bipyramids, edges with eight equivalent RuSi4 tetrahedra, and faces with four equivalent USi8 hexagonal bipyramids. All U–Si bond lengths are 3.16 Å. Ru2+ is bonded to four equivalent Si4- atoms to form RuSi4 tetrahedra that share corners with eight equivalent USi8 hexagonal bipyramids, corners with four equivalent RuSi4 tetrahedra, edges with four equivalent USi8 hexagonal bipyramids, and edges with four equivalent RuSi4 tetrahedra. All Ru–Si bond lengths are 2.39 Å. Si4- is bonded in a 9-coordinate geometry to four equivalent U4+, four equivalent Ru2+, and one Si4- atom. The Si–Si bond length is 2.39 Å.

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Materials Data on U(SiPt)2 by Materials Project

UPt2Si2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. U4+ is bonded in a 8-coordinate geometry to eight equivalent Pt2- atoms. All U–Pt bond lengths are 3.29 Å. Pt2- is bonded to four equivalent U4+ and four equivalent Si atoms to form a mixture of distorted corner, edge, and face-sharing PtU4Si4 tetrahedra. All Pt–Si bond lengths are 2.49 Å. Si is bonded in a 5-coordinate geometry to four equivalent Pt2- and one Si atom. The Si–Si bond length is 2.30 Å.

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Materials Data on U(SiPd)2 by Materials Project

UPd2Si2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. U4+ is bonded to eight equivalent Si4- atoms to form USi8 hexagonal bipyramids that share corners with sixteen equivalent PdSi4 tetrahedra, edges with four equivalent USi8 hexagonal bipyramids, edges with eight equivalent PdSi4 tetrahedra, and faces with four equivalent USi8 hexagonal bipyramids. All U–Si bond lengths are 3.09 Å. Pd2+ is bonded to four equivalent Si4- atoms to form PdSi4 tetrahedra that share corners with eight equivalent USi8 hexagonal bipyramids, corners with four equivalent PdSi4 tetrahedra, edges with four equivalent USi8 hexagonal bipyramids, and edges with four equivalent PdSi4 tetrahedra. All Pd–Si bond lengths are 2.49 Å. Si4- is bonded in a 9-coordinate geometry to four equivalent U4+, four equivalent Pd2+, and one Si4- atom. The Si–Si bond length is 2.30 Å.

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Materials Data on U(HO2)2 by Materials Project

UO2(OH)2 crystallizes in the orthorhombic Pbca space group. The structure is two-dimensional and consists of two UO2(OH)2 sheets oriented in the (0, 0, 1) direction. U6+ is bonded to six O2- atoms to form corner-sharing UO6 octahedra. The corner-sharing octahedral tilt angles are 45°. There are a spread of U–O bond distances ranging from 1.83–2.34 Å. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.00 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent U6+ and one H1+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one U6+ atom.

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Materials Data on U(BiO3)2 by Materials Project

Bi2UO6 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. U6+ is bonded to eight O2- atoms to form distorted edge-sharing UO8 hexagonal bipyramids. There are two shorter (2.05 Å) and six longer (2.29 Å) U–O bond lengths. Bi3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Bi–O bond distances ranging from 2.32–2.60 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Bi3+ atoms to form a mixture of edge and corner-sharing OBi4 tetrahedra. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to three equivalent U6+ atoms. In the third O2- site, O2- is bonded in a 1-coordinate geometry to one U6+ and three equivalent Bi3+ atoms.

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Materials Data on U(SiAu)2 by Materials Project

UAu2Si2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. U6+ is bonded to eight equivalent Si4- atoms to form USi8 hexagonal bipyramids that share corners with sixteen equivalent AuSi4 tetrahedra, edges with four equivalent USi8 hexagonal bipyramids, edges with eight equivalent AuSi4 tetrahedra, and faces with four equivalent USi8 hexagonal bipyramids. All U–Si bond lengths are 3.18 Å. Au1+ is bonded to four equivalent Si4- atoms to form AuSi4 tetrahedra that share corners with eight equivalent USi8 hexagonal bipyramids, corners with four equivalent AuSi4 tetrahedra, edges with four equivalent USi8 hexagonal bipyramids, and edges with four equivalent AuSi4 tetrahedra. All Au–Si bond lengths are 2.58 Å. Si4- is bonded in a 9-coordinate geometry to four equivalent U6+, four equivalent Au1+, and one Si4- atom. The Si–Si bond length is 2.30 Å.

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Materials Data on U(AlC)3 by Materials Project

UAl3C3 crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. U3+ is bonded to six C4- atoms to form UC6 octahedra that share corners with six AlC4 tetrahedra, edges with six equivalent UC6 octahedra, and edges with six AlC4 tetrahedra. There are three shorter (2.54 Å) and three longer (2.57 Å) U–C bond lengths. There are three inequivalent Al3+ sites. In the first Al3+ site, Al3+ is bonded to four C4- atoms to form AlC4 tetrahedra that share corners with three equivalent UC6 octahedra, corners with seven AlC4 tetrahedra, and edges with three equivalent UC6 octahedra. The corner-sharing octahedral tilt angles are 19°. There are one shorter (2.02 Å) and three longer (2.08 Å) Al–C bond lengths. In the second Al3+ site, Al3+ is bonded to four C4- atoms to form AlC4 tetrahedra that share corners with three equivalent UC6 octahedra, corners with seven AlC4 tetrahedra, and edges with three equivalent UC6 octahedra. The corner-sharing octahedral tilt angles are 22°. There are one shorter (2.04 Å) and three longer (2.06 Å) Al–C bond lengths. In the third Al3+ site, Al3+ is bonded in a trigonal planar geometry to three equivalent C4- atoms. All Al–C bond lengths are 1.96 Å. There are three inequivalent C4- sites. In the first C4- site, C4- is bonded to three equivalent U3+ and three equivalent Al3+ atoms to form distorted CU3Al3 octahedra that share corners with three equivalent CAl5 trigonal bipyramids and edges with six equivalent CU3Al3 octahedra. In the second C4- site, C4- is bonded in a 3-coordinate geometry to three equivalent U3+ and three equivalent Al3+ atoms. In the third C4- site, C4- is bonded to five Al3+ atoms to form CAl5 trigonal bipyramids that share corners with three equivalent CU3Al3 octahedra and corners with six equivalent CAl5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 70°.

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Materials Data on U(MnSi)2 by Materials Project

UMn2Si2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. U4+ is bonded in a distorted body-centered cubic geometry to eight equivalent Si4- atoms. All U–Si bond lengths are 2.98 Å. Mn2+ is bonded to four equivalent Si4- atoms to form a mixture of corner and edge-sharing MnSi4 tetrahedra. All Mn–Si bond lengths are 2.37 Å. Si4- is bonded in a 9-coordinate geometry to four equivalent U4+, four equivalent Mn2+, and one Si4- atom. The Si–Si bond length is 2.38 Å.

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Materials Data on U(HO2)2 by Materials Project

UO2(OH)2 crystallizes in the orthorhombic Pbca space group. The structure is two-dimensional and consists of two UO2(OH)2 sheets oriented in the (0, 0, 1) direction. U6+ is bonded to six O2- atoms to form corner-sharing UO6 octahedra. The corner-sharing octahedral tilt angles are 36°. There are a spread of U–O bond distances ranging from 1.98–2.28 Å. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent U6+ atoms. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one U6+ and one H1+ atom.

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Materials Data on U(HO2)2 by Materials Project

UO2(OH)2 crystallizes in the triclinic P1 space group. The structure is two-dimensional and consists of one molecular hydrogen;dihydrate molecule and one UO2 sheet oriented in the (0, 0, 1) direction. In the UO2 sheet, U6+ is bonded in a square co-planar geometry to four O2- atoms. There are a spread of U–O bond distances ranging from 2.05–2.11 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to two equivalent U6+ atoms. In the second O2- site, O2- is bonded in a linear geometry to two equivalent U6+ atoms.

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Materials Data on U(HO2)2 by Materials Project

UO2(OH)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. U6+ is bonded to six O2- atoms to form corner-sharing UO6 octahedra. The corner-sharing octahedral tilt angles are 41°. There are a spread of U–O bond distances ranging from 2.00–2.32 Å. H1+ is bonded in a single-bond geometry to two O2- atoms. There is one shorter (1.00 Å) and one longer (1.72 Å) H–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent U6+ and one H1+ atom. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one U6+ and one H1+ atom.

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Materials Data on U(PbO2)3 by Materials Project

Pb3UO6 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. U6+ is bonded to six O2- atoms to form UO6 octahedra that share corners with two equivalent UO6 octahedra, corners with three PbO6 pentagonal pyramids, and edges with three PbO6 pentagonal pyramids. The corner-sharing octahedra tilt angles range from 39–41°. There are a spread of U–O bond distances ranging from 2.02–2.24 Å. There are five inequivalent Pb2+ sites. In the first Pb2+ site, Pb2+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Pb–O bond distances ranging from 2.28–2.85 Å. In the second Pb2+ site, Pb2+ is bonded to six O2- atoms to form distorted PbO6 pentagonal pyramids that share corners with two equivalent UO6 octahedra, edges with two equivalent UO6 octahedra, and edges with three PbO6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 38°. There are a spread of Pb–O bond distances ranging from 2.30–2.91 Å. In the third Pb2+ site, Pb2+ is bonded to six O2- atoms to form distorted PbO6 pentagonal pyramids that share corners with two equivalent UO6 octahedra, edges with two equivalent UO6 octahedra, and edges with three PbO6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 40°. There are a spread of Pb–O bond distances ranging from 2.35–2.85 Å. In the fourth Pb2+ site, Pb2+ is bonded to six O2- atoms to form distorted PbO6 pentagonal pyramids that share corners with two equivalent UO6 octahedra, edges with two equivalent UO6 octahedra, and edges with two equivalent PbO6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 40°. There are a spread of Pb–O bond distances ranging from 2.25–2.74 Å. In the fifth Pb2+ site, Pb2+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Pb–O bond distances ranging from 2.39–2.75 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to one U6+ and three Pb2+ atoms. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one U6+ and three Pb2+ atoms. In the third O2- site, O2- is bonded to four Pb2+ atoms to form edge-sharing OPb4 tetrahedra. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to one U6+ and two Pb2+ atoms. In the fifth O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent U6+ and two Pb2+ atoms. In the sixth O2- site, O2- is bonded in a 1-coordinate geometry to one U6+ and three Pb2+ atoms. In the seventh O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent U6+ and one Pb2+ atom. In the eighth O2- site, O2- is bonded to four Pb2+ atoms to form edge-sharing OPb4 tetrahedra.

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