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At least 937 records · Page 52
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DOE OSTI2020

Materials Data on NaOsO3 by Materials Project

NaOsO3 crystallizes in the trigonal R3c space group. The structure is three-dimensional. Na1+ is bonded in a 3-coordinate geometry to nine equivalent O2- atoms. There are a spread of Na–O bond distances ranging from 2.31–2.77 Å. Os5+ is bonded to six equivalent O2- atoms to form corner-sharing OsO6 octahedra. The corner-sharing octahedral tilt angles are 24°. There is three shorter (1.95 Å) and three longer (1.96 Å) Os–O bond length. O2- is bonded in a 5-coordinate geometry to three equivalent Na1+ and two equivalent Os5+ atoms.

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DOE OSTI2020

Materials Data on OsN by Materials Project

OsN crystallizes in the tetragonal P4_2/mmc space group. The structure is three-dimensional. Os3+ is bonded in a square co-planar geometry to four equivalent N3- atoms. All Os–N bond lengths are 2.05 Å. N3- is bonded in a 4-coordinate geometry to four equivalent Os3+ atoms.

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DOE OSTI2020

Materials Data on OsC by Materials Project

COs is Molybdenum Carbide MAX Phase-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Os2- is bonded to six equivalent C2+ atoms to form a mixture of edge, face, and corner-sharing OsC6 octahedra. The corner-sharing octahedral tilt angles are 46°. All Os–C bond lengths are 2.18 Å. C2+ is bonded to six equivalent Os2- atoms to form a mixture of distorted edge and corner-sharing COs6 pentagonal pyramids.

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DOE OSTI2020

Materials Data on OsN by Materials Project

OsN crystallizes in the orthorhombic Pmn2_1 space group. The structure is three-dimensional. Os3+ is bonded in a rectangular see-saw-like geometry to four equivalent N3- atoms. There are a spread of Os–N bond distances ranging from 2.01–2.10 Å. N3- is bonded in a rectangular see-saw-like geometry to four equivalent Os3+ atoms.

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DOE OSTI2020

Materials Data on OsN2 by Materials Project

OsN2 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. Os6+ is bonded in a 6-coordinate geometry to six equivalent N3- atoms. There are two shorter (2.11 Å) and four longer (2.12 Å) Os–N bond lengths. N3- is bonded in a 4-coordinate geometry to three equivalent Os6+ and one N3- atom. The N–N bond length is 1.37 Å.

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DOE OSTI2020

Materials Data on OsN2 by Materials Project

OsN2 is Fluorite structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Os6+ is bonded in a body-centered cubic geometry to eight equivalent N3- atoms. All Os–N bond lengths are 2.11 Å. N3- is bonded to four equivalent Os6+ atoms to form a mixture of edge and corner-sharing NOs4 tetrahedra.

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DOE OSTI2020

Materials Data on OsC2 by Materials Project

OsC2 is Molybdenite-like structured and crystallizes in the hexagonal P-6m2 space group. The structure is two-dimensional and consists of one OsC2 sheet oriented in the (0, 0, 1) direction. Os2- is bonded to six equivalent C1+ atoms to form distorted edge-sharing OsC6 pentagonal pyramids. All Os–C bond lengths are 2.10 Å. C1+ is bonded in a 3-coordinate geometry to three equivalent Os2- atoms.

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DOE OSTI2020

Materials Data on OsN by Materials Project

OsN is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Os3+ is bonded to six equivalent N3- atoms to form a mixture of corner and edge-sharing OsN6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Os–N bond lengths are 2.18 Å. N3- is bonded to six equivalent Os3+ atoms to form a mixture of corner and edge-sharing NOs6 octahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on OsN by Materials Project

OsN is Zincblende, Sphalerite structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Os3+ is bonded to four equivalent N3- atoms to form corner-sharing OsN4 tetrahedra. All Os–N bond lengths are 1.99 Å. N3- is bonded to four equivalent Os3+ atoms to form corner-sharing NOs4 tetrahedra.

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DOE OSTI2020

Materials Data on OsC by Materials Project

COs is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Os2- is bonded in a body-centered cubic geometry to eight equivalent C2+ atoms. All Os–C bond lengths are 2.34 Å. C2+ is bonded in a body-centered cubic geometry to eight equivalent Os2- atoms.

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DOE OSTI2020

Materials Data on OsC by Materials Project

COs is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Os2- is bonded to six equivalent C2+ atoms to form a mixture of corner and edge-sharing OsC6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Os–C bond lengths are 2.18 Å. C2+ is bonded to six equivalent Os2- atoms to form a mixture of corner and edge-sharing COs6 octahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on OsC by Materials Project

COs is Zincblende, Sphalerite structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Os2- is bonded to four equivalent C2+ atoms to form corner-sharing OsC4 tetrahedra. All Os–C bond lengths are 2.00 Å. C2+ is bonded to four equivalent Os2- atoms to form corner-sharing COs4 tetrahedra.

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DOE OSTI2020

Materials Data on CaOsO3 by Materials Project

CaOsO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ca2+ is bonded to twelve equivalent O2- atoms to form CaO12 cuboctahedra that share corners with twelve equivalent CaO12 cuboctahedra, faces with six equivalent CaO12 cuboctahedra, and faces with eight equivalent OsO6 octahedra. All Ca–O bond lengths are 2.79 Å. Os4+ is bonded to six equivalent O2- atoms to form OsO6 octahedra that share corners with six equivalent OsO6 octahedra and faces with eight equivalent CaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Os–O bond lengths are 1.98 Å. O2- is bonded to four equivalent Ca2+ and two equivalent Os4+ atoms to form a mixture of distorted edge, corner, and face-sharing OCa4Os2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°.

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DOE OSTI2020

Materials Data on ZnOsO3 by Materials Project

OsZnO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Os4+ is bonded to six equivalent O2- atoms to form OsO6 octahedra that share corners with six equivalent OsO6 octahedra and faces with eight equivalent ZnO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Os–O bond lengths are 1.95 Å. Zn2+ is bonded to twelve equivalent O2- atoms to form ZnO12 cuboctahedra that share corners with twelve equivalent ZnO12 cuboctahedra, faces with six equivalent ZnO12 cuboctahedra, and faces with eight equivalent OsO6 octahedra. All Zn–O bond lengths are 2.76 Å. O2- is bonded in a distorted linear geometry to two equivalent Os4+ and four equivalent Zn2+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on MgOsO3 by Materials Project

MgOsO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Mg2+ is bonded to twelve equivalent O2- atoms to form MgO12 cuboctahedra that share corners with twelve equivalent MgO12 cuboctahedra, faces with six equivalent MgO12 cuboctahedra, and faces with eight equivalent OsO6 octahedra. All Mg–O bond lengths are 2.77 Å. Os4+ is bonded to six equivalent O2- atoms to form OsO6 octahedra that share corners with six equivalent OsO6 octahedra and faces with eight equivalent MgO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Os–O bond lengths are 1.96 Å. O2- is bonded in a distorted linear geometry to four equivalent Mg2+ and two equivalent Os4+ atoms.

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DOE OSTI2020

Materials Data on HgOsO3 by Materials Project

OsHgO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Os4+ is bonded to six equivalent O2- atoms to form OsO6 octahedra that share corners with six equivalent OsO6 octahedra and faces with eight equivalent HgO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Os–O bond lengths are 1.98 Å. Hg2+ is bonded to twelve equivalent O2- atoms to form HgO12 cuboctahedra that share corners with twelve equivalent HgO12 cuboctahedra, faces with six equivalent HgO12 cuboctahedra, and faces with eight equivalent OsO6 octahedra. All Hg–O bond lengths are 2.80 Å. O2- is bonded in a distorted linear geometry to two equivalent Os4+ and four equivalent Hg2+ atoms.

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DOE OSTI2020

Materials Data on CdOsO3 by Materials Project

OsCdO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Os4+ is bonded to six equivalent O2- atoms to form OsO6 octahedra that share corners with six equivalent OsO6 octahedra and faces with eight equivalent CdO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Os–O bond lengths are 1.97 Å. Cd2+ is bonded to twelve equivalent O2- atoms to form CdO12 cuboctahedra that share corners with twelve equivalent CdO12 cuboctahedra, faces with six equivalent CdO12 cuboctahedra, and faces with eight equivalent OsO6 octahedra. All Cd–O bond lengths are 2.79 Å. O2- is bonded in a distorted linear geometry to two equivalent Os4+ and four equivalent Cd2+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on OsC2 by Materials Project

OsC2 crystallizes in the hexagonal P6_3/mmc space group. The structure is two-dimensional and consists of two OsC2 sheets oriented in the (0, 0, 1) direction. Os2- is bonded to six equivalent C1+ atoms to form distorted edge-sharing OsC6 pentagonal pyramids. All Os–C bond lengths are 2.10 Å. C1+ is bonded in a 3-coordinate geometry to three equivalent Os2- atoms.

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