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At least 919 records · Page 51
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DOE OSTI2020

Materials Data on Si2OsRu by Materials Project

RuOsSi2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of four ruthenium molecules and one OsSi2 framework. In the OsSi2 framework, Os2- is bonded in a body-centered cubic geometry to eight equivalent Si atoms. All Os–Si bond lengths are 2.56 Å. Si is bonded to four equivalent Os2- atoms to form a mixture of distorted edge and corner-sharing SiOs4 tetrahedra.

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Materials Data on LuB4Os by Materials Project

LuOsB4 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. Lu3+ is bonded in a 2-coordinate geometry to fourteen B+1.50- atoms. There are a spread of Lu–B bond distances ranging from 2.61–2.76 Å. Os3+ is bonded in a 10-coordinate geometry to ten B+1.50- atoms. There are a spread of Os–B bond distances ranging from 2.24–2.41 Å. There are four inequivalent B+1.50- sites. In the first B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four equivalent Lu3+, two equivalent Os3+, and three B+1.50- atoms. There are a spread of B–B bond distances ranging from 1.74–1.87 Å. In the second B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four equivalent Lu3+, two equivalent Os3+, and three B+1.50- atoms. The B–B bond length is 1.84 Å. In the third B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four equivalent Lu3+, two equivalent Os3+, and three B+1.50- atoms. Both B–B bond lengths are 1.73 Å. In the fourth B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to two equivalent Lu3+, four equivalent Os3+, and three B+1.50- atoms. The B–B bond length is 1.73 Å.

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Materials Data on NpOsO3 by Materials Project

NpOsO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Np3+ is bonded to twelve equivalent O2- atoms to form NpO12 cuboctahedra that share corners with twelve equivalent NpO12 cuboctahedra, faces with six equivalent NpO12 cuboctahedra, and faces with eight equivalent OsO6 octahedra. All Np–O bond lengths are 2.82 Å. Os3+ is bonded to six equivalent O2- atoms to form OsO6 octahedra that share corners with six equivalent OsO6 octahedra and faces with eight equivalent NpO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Os–O bond lengths are 1.99 Å. O2- is bonded in a distorted linear geometry to four equivalent Np3+ and two equivalent Os3+ atoms.

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Materials Data on OsN2 by Materials Project

OsN2 crystallizes in the hexagonal P6/mmm space group. The structure is one-dimensional and consists of one OsN2 ribbon oriented in the (0, 0, 1) direction. Os6+ is bonded in a linear geometry to two equivalent N3- atoms. Both Os–N bond lengths are 1.90 Å. N3- is bonded in a linear geometry to one Os6+ and one N3- atom. The N–N bond length is 1.16 Å.

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Materials Data on OsAu3 by Materials Project

OsAu3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Os2- is bonded to twelve equivalent Au+0.67+ atoms to form a mixture of corner and face-sharing OsAu12 cuboctahedra. All Os–Au bond lengths are 2.89 Å. Au+0.67+ is bonded in a square co-planar geometry to four equivalent Os2- atoms.

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Materials Data on EuOsO3 by Materials Project

EuOsO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Eu3+ is bonded to twelve equivalent O2- atoms to form EuO12 cuboctahedra that share corners with twelve equivalent EuO12 cuboctahedra, faces with six equivalent EuO12 cuboctahedra, and faces with eight equivalent OsO6 octahedra. All Eu–O bond lengths are 2.82 Å. Os3+ is bonded to six equivalent O2- atoms to form OsO6 octahedra that share corners with six equivalent OsO6 octahedra and faces with eight equivalent EuO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Os–O bond lengths are 1.99 Å. O2- is bonded in a distorted linear geometry to four equivalent Eu3+ and two equivalent Os3+ atoms.

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Materials Data on YOsO3 by Materials Project

YOsO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Y3+ is bonded to twelve equivalent O2- atoms to form YO12 cuboctahedra that share corners with twelve equivalent YO12 cuboctahedra, faces with six equivalent YO12 cuboctahedra, and faces with eight equivalent OsO6 octahedra. All Y–O bond lengths are 2.80 Å. Os3+ is bonded to six equivalent O2- atoms to form OsO6 octahedra that share corners with six equivalent OsO6 octahedra and faces with eight equivalent YO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Os–O bond lengths are 1.98 Å. O2- is bonded in a distorted linear geometry to four equivalent Y3+ and two equivalent Os3+ atoms.

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Materials Data on YB4Os by Materials Project

YOsB4 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. Y3+ is bonded in a 2-coordinate geometry to fourteen B+1.50- atoms. There are a spread of Y–B bond distances ranging from 2.65–2.78 Å. Os3+ is bonded in a 10-coordinate geometry to ten B+1.50- atoms. There are a spread of Os–B bond distances ranging from 2.26–2.42 Å. There are four inequivalent B+1.50- sites. In the first B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four equivalent Y3+, two equivalent Os3+, and three B+1.50- atoms. There are a spread of B–B bond distances ranging from 1.75–1.88 Å. In the second B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four equivalent Y3+, two equivalent Os3+, and three B+1.50- atoms. The B–B bond length is 1.85 Å. In the third B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four equivalent Y3+, two equivalent Os3+, and three B+1.50- atoms. There is one shorter (1.74 Å) and one longer (1.77 Å) B–B bond length. In the fourth B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to two equivalent Y3+, four equivalent Os3+, and three B+1.50- atoms. The B–B bond length is 1.72 Å.

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Materials Data on ScOs3 by Materials Project

ScOs3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Sc3+ is bonded to twelve equivalent Os1- atoms to form a mixture of face and corner-sharing ScOs12 cuboctahedra. All Sc–Os bond lengths are 2.80 Å. Os1- is bonded in a distorted square co-planar geometry to four equivalent Sc3+ atoms.

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Materials Data on TmB4Os by Materials Project

TmOsB4 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. Tm3+ is bonded in a 2-coordinate geometry to fourteen B+1.50- atoms. There are a spread of Tm–B bond distances ranging from 2.62–2.76 Å. Os3+ is bonded in a 10-coordinate geometry to ten B+1.50- atoms. There are a spread of Os–B bond distances ranging from 2.25–2.41 Å. There are four inequivalent B+1.50- sites. In the first B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four equivalent Tm3+, two equivalent Os3+, and three B+1.50- atoms. There are a spread of B–B bond distances ranging from 1.75–1.87 Å. In the second B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four equivalent Tm3+, two equivalent Os3+, and three B+1.50- atoms. The B–B bond length is 1.85 Å. In the third B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four equivalent Tm3+, two equivalent Os3+, and three B+1.50- atoms. There is one shorter (1.74 Å) and one longer (1.75 Å) B–B bond length. In the fourth B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to two equivalent Tm3+, four equivalent Os3+, and three B+1.50- atoms. The B–B bond length is 1.72 Å.

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Materials Data on BOsO3 by Materials Project

OsBO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Os3+ is bonded to twelve equivalent O2- atoms to form OsO12 cuboctahedra that share corners with twelve equivalent OsO12 cuboctahedra, faces with six equivalent OsO12 cuboctahedra, and faces with eight equivalent BO6 octahedra. All Os–O bond lengths are 2.41 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 OsO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All B–O bond lengths are 1.70 Å. O2- is bonded in a distorted linear geometry to four equivalent Os3+ and two equivalent B3+ atoms.

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Materials Data on LaOsN3 by Materials Project

LaOsN3 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. La3+ is bonded to twelve equivalent N3- atoms to form distorted LaN12 cuboctahedra that share corners with twelve equivalent LaN12 cuboctahedra, faces with six equivalent LaN12 cuboctahedra, and faces with eight equivalent OsN6 octahedra. There are a spread of La–N bond distances ranging from 2.55–3.04 Å. Os6+ is bonded to six equivalent N3- atoms to form OsN6 octahedra that share corners with six equivalent OsN6 octahedra and faces with eight equivalent LaN12 cuboctahedra. The corner-sharing octahedral tilt angles are 14°. All Os–N bond lengths are 1.99 Å. N3- is bonded in a 5-coordinate geometry to four equivalent La3+ and two equivalent Os6+ atoms.

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Materials Data on LaOsN3 by Materials Project

LaOsN3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. La3+ is bonded in a 12-coordinate geometry to twelve N3- atoms. There are a spread of La–N bond distances ranging from 2.55–3.12 Å. Os6+ is bonded to six N3- atoms to form corner-sharing OsN6 octahedra. The corner-sharing octahedra tilt angles range from 14–16°. There is four shorter (1.99 Å) and two longer (2.00 Å) Os–N bond length. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a 5-coordinate geometry to four equivalent La3+ and two equivalent Os6+ atoms. In the second N3- site, N3- is bonded in a 6-coordinate geometry to four equivalent La3+ and two equivalent Os6+ atoms.

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Materials Data on LaOsN3 by Materials Project

LaOsN3 crystallizes in the orthorhombic Pmma space group. The structure is three-dimensional. La3+ is bonded in a body-centered cubic geometry to eight N3- atoms. There are four shorter (2.70 Å) and four longer (2.71 Å) La–N bond lengths. Os6+ is bonded in a square co-planar geometry to four N3- atoms. There is two shorter (1.94 Å) and two longer (1.98 Å) Os–N bond length. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted rectangular see-saw-like geometry to two equivalent La3+, one Os6+, and one N3- atom. The N–N bond length is 1.27 Å. In the second N3- site, N3- is bonded to four equivalent La3+ and two equivalent Os6+ atoms to form a mixture of distorted edge, face, and corner-sharing NLa4Os2 octahedra. The corner-sharing octahedral tilt angles are 62°.

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Materials Data on LaOsN3 by Materials Project

LaOsN3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. La3+ is bonded in a 7-coordinate geometry to seven N3- atoms. There are a spread of La–N bond distances ranging from 2.48–2.72 Å. Os6+ is bonded to four N3- atoms to form distorted edge-sharing OsN4 tetrahedra. There are a spread of Os–N bond distances ranging from 1.77–1.97 Å. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted rectangular see-saw-like geometry to three equivalent La3+ and one Os6+ atom. In the second N3- site, N3- is bonded in a 3-coordinate geometry to two equivalent La3+ and one Os6+ atom. In the third N3- site, N3- is bonded in a 4-coordinate geometry to two equivalent La3+ and two equivalent Os6+ atoms.

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Materials Data on LaOsN3 by Materials Project

LaOsN3 crystallizes in the monoclinic P2_1/m space group. The structure is one-dimensional and consists of two LaOsN3 ribbons oriented in the (1, 0, 0) direction. La3+ is bonded in a 1-coordinate geometry to one N3- atom. The La–N bond length is 2.47 Å. Os6+ is bonded in a T-shaped geometry to three N3- atoms. There are a spread of Os–N bond distances ranging from 1.91–2.02 Å. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded in a 2-coordinate geometry to one Os6+ and one N3- atom. The N–N bond length is 1.24 Å. In the second N3- site, N3- is bonded in a distorted linear geometry to two equivalent Os6+ atoms. In the third N3- site, N3- is bonded in a 2-coordinate geometry to one La3+ and one N3- atom.

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Materials Data on BOs by Materials Project

BOs is Tungsten Carbide structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Os3+ is bonded to six equivalent B3- atoms to form a mixture of distorted corner, edge, and face-sharing OsB6 pentagonal pyramids. All Os–B bond lengths are 2.21 Å. B3- is bonded to six equivalent Os3+ atoms to form a mixture of distorted corner, edge, and face-sharing BOs6 pentagonal pyramids.

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Materials Data on RbOsO3 by Materials Project

RbOsO3 is Ilmenite structured and crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Rb1+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. There are three shorter (2.70 Å) and three longer (3.12 Å) Rb–O bond lengths. Os5+ is bonded to six equivalent O2- atoms to form distorted edge-sharing OsO6 octahedra. All Os–O bond lengths are 1.99 Å. O2- is bonded in a 3-coordinate geometry to two equivalent Rb1+ and two equivalent Os5+ atoms.

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