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At least 883 records · Page 49
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DOE OSTI2020

Materials Data on OsCl4 by Materials Project

OsCl4 crystallizes in the orthorhombic Cmmm space group. The structure is one-dimensional and consists of two OsCl4 ribbons oriented in the (0, 0, 1) direction. Os4+ is bonded to six Cl1- atoms to form edge-sharing OsCl6 octahedra. There are two shorter (2.27 Å) and four longer (2.40 Å) Os–Cl bond lengths. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Os4+ atom. In the second Cl1- site, Cl1- is bonded in a water-like geometry to two equivalent Os4+ atoms.

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Materials Data on Cd2Os2O7 by Materials Project

Cd2Os2O7 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Os5+ is bonded to six equivalent O2- atoms to form OsO6 octahedra that share corners with six equivalent OsO6 octahedra and edges with six equivalent CdO8 hexagonal bipyramids. The corner-sharing octahedral tilt angles are 42°. All Os–O bond lengths are 1.95 Å. Cd2+ is bonded to eight O2- atoms to form distorted CdO8 hexagonal bipyramids that share edges with six equivalent CdO8 hexagonal bipyramids and edges with six equivalent OsO6 octahedra. There are two shorter (2.23 Å) and six longer (2.62 Å) Cd–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Cd2+ atoms to form corner-sharing OCd4 tetrahedra. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Os5+ and two equivalent Cd2+ atoms.

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Materials Data on OsC3IO3 by Materials Project

IOs(CO)3 crystallizes in the monoclinic P2_1/m space group. The structure is zero-dimensional and consists of twelve formaldehyde molecules and two IOs clusters. In each IOs cluster, Os3+ is bonded in a 2-coordinate geometry to two I1- atoms. There are one shorter (2.78 Å) and one longer (2.80 Å) Os–I bond lengths. There are two inequivalent I1- sites. In the first I1- site, I1- is bonded in a 6-coordinate geometry to two equivalent Os3+ atoms. In the second I1- site, I1- is bonded in a 4-coordinate geometry to two equivalent Os3+ atoms.

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Materials Data on BiOs2(CO)6 by Materials Project

(Os)2Bi(CO)6 crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of eight bismuth molecules, forty-eight formaldehyde molecules, and sixteen osmium molecules.

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DOE OSTI2020

Materials Data on Ba5Os3NO18 by Materials Project

Ba5(OsO5)3NO3 crystallizes in the hexagonal P6_3cm space group. The structure is three-dimensional. there are two inequivalent Ba2+ sites. In the first Ba2+ site, Ba2+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of Ba–O bond distances ranging from 2.69–3.27 Å. In the second Ba2+ site, Ba2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Ba–O bond distances ranging from 2.79–2.88 Å. Os7+ is bonded in a distorted trigonal bipyramidal geometry to five O2- atoms. There are a spread of Os–O bond distances ranging from 1.75–1.89 Å. N5+ is bonded in a trigonal planar geometry to three equivalent O2- atoms. All N–O bond lengths are 1.27 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Ba2+ and one N5+ atom. In the second O2- site, O2- is bonded to three Ba2+ and one Os7+ atom to form a mixture of distorted edge and corner-sharing OBa3Os tetrahedra. In the third O2- site, O2- is bonded in a distorted single-bond geometry to three Ba2+ and one Os7+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to one Ba2+ and one Os7+ atom.

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Materials Data on MnTcOs by Materials Project

TcMnOs is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Tc3- is bonded in a body-centered cubic geometry to four equivalent Mn2+ and four equivalent Os1+ atoms. All Tc–Mn bond lengths are 2.53 Å. All Tc–Os bond lengths are 2.53 Å. Mn2+ is bonded to four equivalent Tc3- atoms to form MnTc4 tetrahedra that share corners with four equivalent OsTc4 tetrahedra, corners with twelve equivalent MnTc4 tetrahedra, and edges with six equivalent OsTc4 tetrahedra. Os1+ is bonded to four equivalent Tc3- atoms to form OsTc4 tetrahedra that share corners with four equivalent MnTc4 tetrahedra, corners with twelve equivalent OsTc4 tetrahedra, and edges with six equivalent MnTc4 tetrahedra.

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Materials Data on TcIrOs by Materials Project

TcOsIr is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Tc3- is bonded in a body-centered cubic geometry to four equivalent Os1- and four equivalent Ir4+ atoms. All Tc–Os bond lengths are 2.56 Å. All Tc–Ir bond lengths are 2.56 Å. Os1- is bonded to four equivalent Tc3- atoms to form OsTc4 tetrahedra that share corners with four equivalent IrTc4 tetrahedra, corners with twelve equivalent OsTc4 tetrahedra, and edges with six equivalent IrTc4 tetrahedra. Ir4+ is bonded to four equivalent Tc3- atoms to form IrTc4 tetrahedra that share corners with four equivalent OsTc4 tetrahedra, corners with twelve equivalent IrTc4 tetrahedra, and edges with six equivalent OsTc4 tetrahedra.

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Materials Data on NaOsSe2 by Materials Project

NaOsSe2 crystallizes in the cubic F-43m space group. The structure is three-dimensional. Na1+ is bonded to ten Se2- atoms to form distorted NaSe10 tetrahedra that share corners with six equivalent NaSe10 tetrahedra, corners with twelve equivalent OsSe4 tetrahedra, corners with twelve equivalent SeNa4Se4 tetrahedra, faces with four equivalent OsSe4 tetrahedra, faces with four equivalent SeNa4Se4 tetrahedra, and faces with twelve equivalent NaSe10 tetrahedra. There are four shorter (2.87 Å) and six longer (3.31 Å) Na–Se bond lengths. Os3+ is bonded to four equivalent Se2- atoms to form OsSe4 tetrahedra that share corners with four equivalent SeNa4Se4 tetrahedra, corners with twelve equivalent NaSe10 tetrahedra, corners with twelve equivalent OsSe4 tetrahedra, edges with six equivalent SeNa4Se4 tetrahedra, and faces with four equivalent NaSe10 tetrahedra. All Os–Se bond lengths are 2.87 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 4-coordinate geometry to six equivalent Na1+, four equivalent Os3+, and four equivalent Se2- atoms. All Se–Se bond lengths are 2.87 Å. In the second Se2- site, Se2- is bonded to four equivalent Na1+ and four equivalent Se2- atoms to form distorted SeNa4Se4 tetrahedra that share corners with four equivalent OsSe4 tetrahedra, corners with twelve equivalent NaSe10 tetrahedra, edges with six equivalent OsSe4 tetrahedra, edges with twelve equivalent SeNa4Se4 tetrahedra, and faces with four equivalent NaSe10 tetrahedra.

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Materials Data on SiTe2Os by Materials Project

OsSiTe2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Os1- is bonded in a body-centered cubic geometry to eight equivalent Te+1.50- atoms. All Os–Te bond lengths are 2.95 Å. Si4+ is bonded in a body-centered cubic geometry to eight equivalent Te+1.50- atoms. All Si–Te bond lengths are 2.95 Å. Te+1.50- is bonded in a body-centered cubic geometry to four equivalent Os1- and four equivalent Si4+ atoms.

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Materials Data on BiSb2Os by Materials Project

OsBiSb2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Os3+ is bonded in a body-centered cubic geometry to eight equivalent Sb3- atoms. All Os–Sb bond lengths are 3.10 Å. Bi3+ is bonded in a body-centered cubic geometry to eight equivalent Sb3- atoms. All Bi–Sb bond lengths are 3.10 Å. Sb3- is bonded in a body-centered cubic geometry to four equivalent Os3+ and four equivalent Bi3+ atoms.

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Materials Data on Bi2OsAu by Materials Project

OsAuBi2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Os1- is bonded in a body-centered cubic geometry to eight equivalent Bi1+ atoms. All Os–Bi bond lengths are 3.06 Å. Au1- is bonded in a body-centered cubic geometry to eight equivalent Bi1+ atoms. All Au–Bi bond lengths are 3.06 Å. Bi1+ is bonded in a body-centered cubic geometry to four equivalent Os1- and four equivalent Au1- atoms.

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Materials Data on BiAs2Os by Materials Project

OsBiAs2 crystallizes in the cubic F-43m space group. The structure is three-dimensional. Os3+ is bonded to four equivalent As3- atoms to form corner-sharing OsAs4 tetrahedra. All Os–As bond lengths are 2.94 Å. Bi3+ is bonded to four equivalent As3- atoms to form corner-sharing BiAs4 tetrahedra. All Bi–As bond lengths are 2.94 Å. There are two inequivalent As3- sites. In the first As3- site, As3- is bonded in a distorted body-centered cubic geometry to four equivalent Os3+ and four equivalent As3- atoms. All As–As bond lengths are 2.94 Å. In the second As3- site, As3- is bonded in a distorted body-centered cubic geometry to four equivalent Bi3+ and four equivalent As3- atoms.

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Materials Data on Li4H6Os by Materials Project

Li4OsH6 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a 6-coordinate geometry to six equivalent H+0.33- atoms. All Li–H bond lengths are 2.09 Å. In the second Li1+ site, Li1+ is bonded in a 6-coordinate geometry to six equivalent H+0.33- atoms. There are a spread of Li–H bond distances ranging from 2.13–2.23 Å. Os2- is bonded in an octahedral geometry to six equivalent H+0.33- atoms. All Os–H bond lengths are 1.73 Å. H+0.33- is bonded to four Li1+ and one Os2- atom to form a mixture of face and corner-sharing HLi4Os square pyramids.

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Materials Data on Mg2H6Os by Materials Project

Mg2OsH6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Mg2+ is bonded to twelve equivalent H+0.33- atoms to form MgH12 cuboctahedra that share corners with twelve equivalent MgH12 cuboctahedra, faces with six equivalent MgH12 cuboctahedra, and faces with four equivalent OsH6 octahedra. All Mg–H bond lengths are 2.36 Å. Os2- is bonded to six equivalent H+0.33- atoms to form OsH6 octahedra that share faces with eight equivalent MgH12 cuboctahedra. All Os–H bond lengths are 1.70 Å. H+0.33- is bonded to four equivalent Mg2+ and one Os2- atom to form a mixture of corner, edge, and face-sharing HMg4Os square pyramids.

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Materials Data on BaMg2H8Os by Materials Project

BaMg2OsH8 crystallizes in the tetragonal P4_2/mmc space group. The structure is three-dimensional. Ba2+ is bonded to eight H+0.50- atoms to form BaH8 hexagonal bipyramids that share corners with four equivalent OsH6 octahedra and edges with four equivalent BaH8 hexagonal bipyramids. The corner-sharing octahedral tilt angles are 68°. There are four shorter (2.70 Å) and four longer (2.79 Å) Ba–H bond lengths. Mg2+ is bonded in a 6-coordinate geometry to six H+0.50- atoms. There are two shorter (1.96 Å) and four longer (2.14 Å) Mg–H bond lengths. Os2- is bonded to six H+0.50- atoms to form OsH6 octahedra that share corners with four equivalent BaH8 hexagonal bipyramids. There is two shorter (1.71 Å) and four longer (1.72 Å) Os–H bond length. There are three inequivalent H+0.50- sites. In the first H+0.50- site, H+0.50- is bonded in a T-shaped geometry to two equivalent Mg2+ and one Os2- atom. In the second H+0.50- site, H+0.50- is bonded in a distorted water-like geometry to two equivalent Ba2+ and two equivalent Mg2+ atoms. In the third H+0.50- site, H+0.50- is bonded in a distorted trigonal planar geometry to two equivalent Ba2+ and one Os2- atom.

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Materials Data on LaOsN3 by Materials Project

LaOsN3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. La3+ is bonded to twelve equivalent N3- atoms to form LaN12 cuboctahedra that share corners with twelve equivalent LaN12 cuboctahedra, faces with six equivalent LaN12 cuboctahedra, and faces with eight equivalent OsN6 octahedra. All La–N bond lengths are 2.79 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 0°. All Os–N bond lengths are 1.98 Å. N3- is bonded to four equivalent La3+ and two equivalent Os6+ atoms to form a mixture of distorted face, edge, and corner-sharing NLa4Os2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°.

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Materials Data on OsO2 by Materials Project

OsO2 is Hydrophilite structured and crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. Os4+ is bonded to six equivalent O2- atoms to form a mixture of corner and edge-sharing OsO6 octahedra. The corner-sharing octahedral tilt angles are 53°. There is two shorter (1.97 Å) and four longer (2.02 Å) Os–O bond length. O2- is bonded in a trigonal planar geometry to three equivalent Os4+ atoms.

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DOE OSTI2020

Materials Data on Ba2CaOsO6 by Materials Project

Ba2CaOsO6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ba2+ is bonded to twelve equivalent O2- atoms to form BaO12 cuboctahedra that share corners with twelve equivalent BaO12 cuboctahedra, faces with six equivalent BaO12 cuboctahedra, faces with four equivalent CaO6 octahedra, and faces with four equivalent OsO6 octahedra. All Ba–O bond lengths are 2.99 Å. Ca2+ is bonded to six equivalent O2- atoms to form CaO6 octahedra that share corners with six equivalent OsO6 octahedra and faces with eight equivalent BaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ca–O bond lengths are 2.28 Å. Os6+ is bonded to six equivalent O2- atoms to form OsO6 octahedra that share corners with six equivalent CaO6 octahedra and faces with eight equivalent BaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Os–O bond lengths are 1.94 Å. O2- is bonded in a distorted linear geometry to four equivalent Ba2+, one Ca2+, and one Os6+ atom.

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