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At least 415 records · Page 23
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DOE OSTI2020

Materials Data on YSiOs2C by Materials Project

YOs2SiC crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Y3+ is bonded in a distorted rectangular see-saw-like geometry to four equivalent C4- atoms. All Y–C bond lengths are 2.69 Å. Os+1.50- is bonded in a 4-coordinate geometry to three equivalent Si4+ and one C4- atom. There are one shorter (2.48 Å) and two longer (2.49 Å) Os–Si bond lengths. The Os–C bond length is 1.89 Å. Si4+ is bonded in a 6-coordinate geometry to six equivalent Os+1.50- atoms. C4- is bonded to four equivalent Y3+ and two equivalent Os+1.50- atoms to form a mixture of edge and corner-sharing CY4Os2 octahedra. The corner-sharing octahedral tilt angles are 22°.

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DOE OSTI2020

Materials Data on Nb3Os by Materials Project

Nb3Os is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Nb sites. In the first Nb site, Nb is bonded to four equivalent Nb and four equivalent Os atoms to form a mixture of distorted corner, edge, and face-sharing NbNb4Os4 tetrahedra. All Nb–Nb bond lengths are 2.81 Å. All Nb–Os bond lengths are 2.81 Å. In the second Nb site, Nb is bonded in a 8-coordinate geometry to eight equivalent Nb and six equivalent Os atoms. All Nb–Os bond lengths are 3.24 Å. Os is bonded in a distorted body-centered cubic geometry to fourteen Nb atoms.

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DOE OSTI2020

Materials Data on LiOs2W by Materials Project

LiWOs2 crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two LiWOs2 ribbons oriented in the (1, 0, 0) direction. Li1+ is bonded in a linear geometry to two equivalent Os+1.50- atoms. Both Li–Os bond lengths are 2.69 Å. W2+ is bonded in a linear geometry to two equivalent Os+1.50- atoms. Both W–Os bond lengths are 2.20 Å. Os+1.50- is bonded in a linear geometry to one Li1+ and one W2+ atom.

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DOE OSTI2020

Materials Data on Zr4Os2N by Materials Project

Zr4Os2N crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. there are two inequivalent Zr sites. In the first Zr site, Zr is bonded in a 6-coordinate geometry to six equivalent Os atoms. All Zr–Os bond lengths are 2.72 Å. In the second Zr site, Zr is bonded in a distorted bent 150 degrees geometry to two equivalent Os and two equivalent N atoms. Both Zr–Os bond lengths are 2.89 Å. Both Zr–N bond lengths are 2.33 Å. Os is bonded in a 12-coordinate geometry to six Zr atoms. N is bonded to six equivalent Zr atoms to form corner-sharing NZr6 octahedra. The corner-sharing octahedral tilt angles are 38°.

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DOE OSTI2020

Materials Data on Sc4OsCl4 by Materials Project

Sc4OsCl4 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Sc sites. In the first Sc site, Sc is bonded to two equivalent Os and four Cl atoms to form a mixture of distorted face, edge, and corner-sharing ScOs2Cl4 octahedra. The corner-sharing octahedra tilt angles range from 39–92°. There are one shorter (2.71 Å) and one longer (2.74 Å) Sc–Os bond lengths. There are a spread of Sc–Cl bond distances ranging from 2.70–2.80 Å. In the second Sc site, Sc is bonded in a 6-coordinate geometry to two equivalent Os and four Cl atoms. There are one shorter (2.72 Å) and one longer (2.73 Å) Sc–Os bond lengths. There are a spread of Sc–Cl bond distances ranging from 2.69–2.77 Å. Os is bonded in a 8-coordinate geometry to eight Sc atoms. There are two inequivalent Cl sites. In the first Cl site, Cl is bonded in a 4-coordinate geometry to four Sc atoms. In the second Cl site, Cl is bonded in a 4-coordinate geometry to four Sc atoms.

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DOE OSTI2020

Materials Data on Ta3Os by Materials Project

Ta3Os is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Ta sites. In the first Ta site, Ta is bonded to four equivalent Ta and four equivalent Os atoms to form a mixture of distorted edge, face, and corner-sharing TaTa4Os4 tetrahedra. All Ta–Ta bond lengths are 2.80 Å. All Ta–Os bond lengths are 2.80 Å. In the second Ta site, Ta is bonded in a 8-coordinate geometry to eight equivalent Ta and six equivalent Os atoms. All Ta–Os bond lengths are 3.24 Å. Os is bonded in a distorted body-centered cubic geometry to fourteen Ta atoms.

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DOE OSTI2020

Materials Data on Nb2CrOs by Materials Project

Nb2CrOs is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Nb is bonded in a distorted body-centered cubic geometry to four equivalent Cr and four equivalent Os atoms. All Nb–Cr bond lengths are 2.73 Å. All Nb–Os bond lengths are 2.73 Å. Cr is bonded in a 8-coordinate geometry to eight equivalent Nb and six equivalent Os atoms. All Cr–Os bond lengths are 3.15 Å. Os is bonded in a distorted body-centered cubic geometry to eight equivalent Nb and six equivalent Cr atoms.

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DOE OSTI2020

Materials Data on Sm3Ge13Os4 by Materials Project

Sm3Os4Ge13 crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. Sm is bonded in a 8-coordinate geometry to four equivalent Os and twelve equivalent Ge atoms. All Sm–Os bond lengths are 3.23 Å. There are eight shorter (3.22 Å) and four longer (3.27 Å) Sm–Ge bond lengths. Os is bonded in a 6-coordinate geometry to three equivalent Sm and six equivalent Ge atoms. All Os–Ge bond lengths are 2.51 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 2-coordinate geometry to three equivalent Sm, two equivalent Os, and one Ge atom. The Ge–Ge bond length is 3.04 Å. In the second Ge site, Ge is bonded in a cuboctahedral geometry to twelve equivalent Ge atoms.

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DOE OSTI2020

Materials Data on Dy3Os by Materials Project

Dy3Os is Cementite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Dy sites. In the first Dy site, Dy is bonded in a 3-coordinate geometry to three equivalent Os atoms. There are a spread of Dy–Os bond distances ranging from 2.86–3.17 Å. In the second Dy site, Dy is bonded in a distorted bent 150 degrees geometry to two equivalent Os atoms. There are one shorter (2.77 Å) and one longer (2.82 Å) Dy–Os bond lengths. Os is bonded in a 8-coordinate geometry to eight Dy atoms.

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DOE OSTI2020

Materials Data on Mn3Os by Materials Project

Mn3Os is Uranium Silicide-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Mn sites. In the first Mn site, Mn is bonded to eight Mn and four equivalent Os atoms to form distorted MnMn8Os4 cuboctahedra that share corners with four equivalent OsMn12 cuboctahedra, corners with fourteen MnMn8Os4 cuboctahedra, edges with six equivalent OsMn12 cuboctahedra, edges with twelve MnMn8Os4 cuboctahedra, faces with four equivalent OsMn12 cuboctahedra, and faces with sixteen MnMn8Os4 cuboctahedra. There are a spread of Mn–Mn bond distances ranging from 2.50–2.64 Å. There are two shorter (2.55 Å) and two longer (2.57 Å) Mn–Os bond lengths. In the second Mn site, Mn is bonded to eight equivalent Mn and four equivalent Os atoms to form distorted MnMn8Os4 cuboctahedra that share corners with four equivalent OsMn12 cuboctahedra, corners with fourteen MnMn8Os4 cuboctahedra, edges with six equivalent OsMn12 cuboctahedra, edges with twelve equivalent MnMn8Os4 cuboctahedra, faces with four equivalent OsMn12 cuboctahedra, and faces with sixteen MnMn8Os4 cuboctahedra. There are two shorter (2.55 Å) and two longer (2.57 Å) Mn–Os bond lengths. Os is bonded to twelve Mn atoms to form OsMn12 cuboctahedra that share corners with six equivalent OsMn12 cuboctahedra, corners with twelve equivalent MnMn8Os4 cuboctahedra, edges with eighteen MnMn8Os4 cuboctahedra, faces with eight equivalent OsMn12 cuboctahedra, and faces with twelve MnMn8Os4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on HoGa3Os by Materials Project

HoOsGa3 crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ho is bonded in a 8-coordinate geometry to four equivalent Os and ten Ga atoms. All Ho–Os bond lengths are 3.21 Å. There are eight shorter (2.95 Å) and two longer (3.21 Å) Ho–Ga bond lengths. Os is bonded to four equivalent Ho and eight equivalent Ga atoms to form distorted OsHo4Ga8 cuboctahedra that share corners with four equivalent OsHo4Ga8 cuboctahedra, edges with four equivalent GaHo6 octahedra, and faces with eight equivalent OsHo4Ga8 cuboctahedra. All Os–Ga bond lengths are 2.67 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded to six equivalent Ho atoms to form GaHo6 octahedra that share corners with six equivalent GaHo6 octahedra and edges with twelve equivalent OsHo4Ga8 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. In the second Ga site, Ga is bonded in a 6-coordinate geometry to three equivalent Ho, three equivalent Os, and three equivalent Ga atoms. All Ga–Ga bond lengths are 2.72 Å.

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DOE OSTI2020

Materials Data on SmSiOs2C by Materials Project

SmOs2SiC crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Sm3+ is bonded in a distorted rectangular see-saw-like geometry to four equivalent C4- atoms. All Sm–C bond lengths are 2.71 Å. Os+1.50- is bonded in a 1-coordinate geometry to three equivalent Si4+ and one C4- atom. All Os–Si bond lengths are 2.50 Å. The Os–C bond length is 1.89 Å. Si4+ is bonded in a 6-coordinate geometry to six equivalent Os+1.50- atoms. C4- is bonded to four equivalent Sm3+ and two equivalent Os+1.50- atoms to form a mixture of edge and corner-sharing CSm4Os2 octahedra. The corner-sharing octahedral tilt angles are 22°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Pr3Os by Materials Project

Pr3Os is Cementite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Pr sites. In the first Pr site, Pr is bonded in a 2-coordinate geometry to three equivalent Os atoms. There are a spread of Pr–Os bond distances ranging from 2.93–3.46 Å. In the second Pr site, Pr is bonded in a bent 150 degrees geometry to two equivalent Os atoms. There are one shorter (2.89 Å) and one longer (2.94 Å) Pr–Os bond lengths. Os is bonded in a 6-coordinate geometry to eight Pr atoms.

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DOE OSTI2020

Materials Data on TaMnOs2 by Materials Project

TaMnOs2 crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two TaMnOs2 ribbons oriented in the (1, 0, 0) direction. Ta is bonded in a linear geometry to two equivalent Os atoms. Both Ta–Os bond lengths are 2.26 Å. Mn is bonded in a linear geometry to two equivalent Os atoms. Both Mn–Os bond lengths are 2.57 Å. Os is bonded in a linear geometry to one Ta and one Mn atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ZrTaOs2 by Materials Project

ZrTaOs2 crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two ZrTaOs2 ribbons oriented in the (1, 0, 0) direction. Zr is bonded in a linear geometry to two equivalent Os atoms. Both Zr–Os bond lengths are 2.42 Å. Ta is bonded in a linear geometry to two equivalent Os atoms. Both Ta–Os bond lengths are 2.31 Å. Os is bonded in a linear geometry to one Zr and one Ta atom.

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DOE OSTI2020

Materials Data on Tb3Ge13Os4 by Materials Project

Tb3Os4Ge13 crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. Tb is bonded in a 8-coordinate geometry to four equivalent Os and twelve equivalent Ge atoms. All Tb–Os bond lengths are 3.22 Å. There are eight shorter (3.20 Å) and four longer (3.25 Å) Tb–Ge bond lengths. Os is bonded in a 6-coordinate geometry to three equivalent Tb and six equivalent Ge atoms. All Os–Ge bond lengths are 2.50 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 2-coordinate geometry to three equivalent Tb, two equivalent Os, and two Ge atoms. There are one shorter (2.65 Å) and one longer (3.03 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded in a cuboctahedral geometry to twelve equivalent Ge atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ho3Ge13Os4 by Materials Project

Ho3Os4Ge13 crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. Ho is bonded in a 8-coordinate geometry to four equivalent Os and twelve equivalent Ge atoms. All Ho–Os bond lengths are 3.20 Å. There are eight shorter (3.18 Å) and four longer (3.24 Å) Ho–Ge bond lengths. Os is bonded in a 6-coordinate geometry to three equivalent Ho and six equivalent Ge atoms. All Os–Ge bond lengths are 2.50 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 2-coordinate geometry to three equivalent Ho, two equivalent Os, and one Ge atom. The Ge–Ge bond length is 3.03 Å. In the second Ge site, Ge is bonded in a cuboctahedral geometry to twelve equivalent Ge atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on K3Os by Materials Project

K3Os is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent K sites. In the first K site, K is bonded to four equivalent K and four equivalent Os atoms to form a mixture of distorted edge, corner, and face-sharing KK4Os4 tetrahedra. All K–K bond lengths are 3.59 Å. All K–Os bond lengths are 3.59 Å. In the second K site, K is bonded in a 10-coordinate geometry to eight equivalent K and two equivalent Os atoms. Both K–Os bond lengths are 4.00 Å. Os is bonded in a distorted body-centered cubic geometry to ten K atoms.

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