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At least 307 records · Page 17
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DOE OSTI2020

Materials Data on Lu(SiOs)2 by Materials Project

Lu(OsSi)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Lu3+ is bonded to eight equivalent Os+1.50- atoms to form distorted edge-sharing LuOs8 hexagonal bipyramids. All Lu–Os bond lengths are 3.16 Å. Os+1.50- is bonded in a 4-coordinate geometry to four equivalent Lu3+ and four equivalent Si atoms. All Os–Si bond lengths are 2.39 Å. Si is bonded in a 5-coordinate geometry to four equivalent Os+1.50- and one Si atom. The Si–Si bond length is 2.41 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TbGa3Os by Materials Project

TbOsGa3 crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Tb is bonded in a 8-coordinate geometry to four equivalent Os and ten Ga atoms. All Tb–Os bond lengths are 3.22 Å. There are eight shorter (2.97 Å) and two longer (3.22 Å) Tb–Ga bond lengths. Os is bonded to four equivalent Tb and eight equivalent Ga atoms to form distorted OsTb4Ga8 cuboctahedra that share corners with four equivalent OsTb4Ga8 cuboctahedra, edges with four equivalent GaTb6 octahedra, and faces with eight equivalent OsTb4Ga8 cuboctahedra. All Os–Ga bond lengths are 2.68 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded to six equivalent Tb atoms to form GaTb6 octahedra that share corners with six equivalent GaTb6 octahedra and edges with twelve equivalent OsTb4Ga8 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 Tb, three equivalent Os, and three equivalent Ga atoms. All Ga–Ga bond lengths are 2.71 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Gd(SiOs)2 by Materials Project

Gd(OsSi)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Gd3+ is bonded in a 8-coordinate geometry to eight equivalent Os+1.50- atoms. All Gd–Os bond lengths are 3.22 Å. Os+1.50- is bonded in a 4-coordinate geometry to four equivalent Gd3+ and four equivalent Si atoms. All Os–Si bond lengths are 2.40 Å. Si is bonded in a 5-coordinate geometry to four equivalent Os+1.50- and one Si atom. The Si–Si bond length is 2.52 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Y4OsBr4 by Materials Project

Y4OsBr4 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Y sites. In the first Y site, Y is bonded to two equivalent Os and four Br atoms to form a mixture of distorted edge, face, and corner-sharing YOs2Br4 pentagonal pyramids. There are one shorter (2.91 Å) and one longer (2.92 Å) Y–Os bond lengths. There are a spread of Y–Br bond distances ranging from 2.99–3.19 Å. In the second Y site, Y is bonded to two equivalent Os and four Br atoms to form a mixture of distorted edge, face, and corner-sharing YOs2Br4 pentagonal pyramids. There are one shorter (2.91 Å) and one longer (2.92 Å) Y–Os bond lengths. There are a spread of Y–Br bond distances ranging from 2.97–3.17 Å. Os is bonded in a 8-coordinate geometry to eight Y atoms. There are two inequivalent Br sites. In the first Br site, Br is bonded in a 4-coordinate geometry to four Y atoms. In the second Br site, Br is bonded in a 4-coordinate geometry to four Y atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Er(SiOs)2 by Materials Project

ErOs2Si2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Er3+ is bonded in a 8-coordinate geometry to eight equivalent Os+1.50- atoms. All Er–Os bond lengths are 3.18 Å. Os+1.50- is bonded in a 4-coordinate geometry to four equivalent Er3+ and four equivalent Si atoms. All Os–Si bond lengths are 2.40 Å. Si is bonded in a 5-coordinate geometry to four equivalent Os+1.50- and one Si atom. The Si–Si bond length is 2.45 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ce(SiOs)2 by Materials Project

CeOs2Si2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ce3+ is bonded in a 8-coordinate geometry to eight equivalent Os+1.50- atoms. All Ce–Os bond lengths are 3.22 Å. Os+1.50- is bonded in a 4-coordinate geometry to four equivalent Ce3+ and four equivalent Si atoms. All Os–Si bond lengths are 2.41 Å. Si is bonded in a 5-coordinate geometry to four equivalent Os+1.50- and one Si atom. The Si–Si bond length is 2.52 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ho(SiOs)2 by Materials Project

HoOs2Si2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ho3+ is bonded in a 8-coordinate geometry to eight equivalent Os+1.50- atoms. All Ho–Os bond lengths are 3.19 Å. Os+1.50- is bonded in a 4-coordinate geometry to four equivalent Ho3+ and four equivalent Si atoms. All Os–Si bond lengths are 2.40 Å. Si is bonded in a 5-coordinate geometry to four equivalent Os+1.50- and one Si atom. The Si–Si bond length is 2.46 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on OsF5 by Materials Project

OsF5 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of two OsF5 clusters. Os5+ is bonded to six F1- atoms to form corner-sharing OsF6 octahedra. The corner-sharing octahedra tilt angles range from 42–44°. There are a spread of Os–F bond distances ranging from 1.86–2.06 Å. There are ten inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Os5+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Os5+ atom. The F–Os bond length is 1.89 Å. In the third F1- site, F1- is bonded in a distorted bent 150 degrees geometry to two equivalent Os5+ atoms. In the fourth F1- site, F1- is bonded in a single-bond geometry to one Os5+ atom. The F–Os bond length is 1.89 Å. In the fifth F1- site, F1- is bonded in a single-bond geometry to one Os5+ atom. In the sixth F1- site, F1- is bonded in a single-bond geometry to one Os5+ atom. In the seventh F1- site, F1- is bonded in a single-bond geometry to one Os5+ atom. The F–Os bond length is 1.86 Å. In the eighth F1- site, F1- is bonded in a single-bond geometry to one Os5+ atom. The F–Os bond length is 1.86 Å. In the ninth F1- site, F1- is bonded in a single-bond geometry to one Os5+ atom. In the tenth F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent Os5+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Tb(SiOs)2 by Materials Project

TbOs2Si2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Tb3+ is bonded in a 8-coordinate geometry to eight equivalent Os+1.50- atoms. All Tb–Os bond lengths are 3.20 Å. Os+1.50- is bonded in a 4-coordinate geometry to four equivalent Tb3+ and four equivalent Si atoms. All Os–Si bond lengths are 2.40 Å. Si is bonded in a 5-coordinate geometry to four equivalent Os+1.50- and one Si atom. The Si–Si bond length is 2.49 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Yb(SiOs)2 by Materials Project

Yb(OsSi)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Yb3+ is bonded to eight equivalent Os+1.50- atoms to form distorted edge-sharing YbOs8 hexagonal bipyramids. All Yb–Os bond lengths are 3.19 Å. Os+1.50- is bonded in a 4-coordinate geometry to four equivalent Yb3+ and four equivalent Si atoms. All Os–Si bond lengths are 2.40 Å. Si is bonded in a 5-coordinate geometry to four equivalent Os+1.50- and one Si atom. The Si–Si bond length is 2.52 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on La(SiOs)2 by Materials Project

La(OsSi)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. La3+ is bonded in a 8-coordinate geometry to eight equivalent Os+1.50- atoms. All La–Os bond lengths are 3.29 Å. Os+1.50- is bonded in a 4-coordinate geometry to four equivalent La3+ and four equivalent Si atoms. All Os–Si bond lengths are 2.41 Å. Si is bonded in a 4-coordinate geometry to four equivalent Os+1.50- and one Si atom. The Si–Si bond length is 2.73 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sm(SiOs)2 by Materials Project

SmOs2Si2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Sm3+ is bonded in a 8-coordinate geometry to eight equivalent Os+1.50- atoms. All Sm–Os bond lengths are 3.23 Å. Os+1.50- is bonded in a 4-coordinate geometry to four equivalent Sm3+ and four equivalent Si atoms. All Os–Si bond lengths are 2.40 Å. Si is bonded in a 5-coordinate geometry to four equivalent Os+1.50- and one Si atom. The Si–Si bond length is 2.56 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Y(SiOs)2 by Materials Project

Y(OsSi)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Y3+ is bonded in a 8-coordinate geometry to eight equivalent Os+1.50- atoms. All Y–Os bond lengths are 3.19 Å. Os+1.50- is bonded in a 4-coordinate geometry to four equivalent Y3+ and four equivalent Si atoms. All Os–Si bond lengths are 2.40 Å. Si is bonded in a 5-coordinate geometry to four equivalent Os+1.50- and one Si atom. The Si–Si bond length is 2.49 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Tm(SiOs)2 by Materials Project

Tm(OsSi)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Tm3+ is bonded to eight equivalent Os+1.50- atoms to form distorted edge-sharing TmOs8 hexagonal bipyramids. All Tm–Os bond lengths are 3.17 Å. Os+1.50- is bonded in a 4-coordinate geometry to four equivalent Tm3+ and four equivalent Si atoms. All Os–Si bond lengths are 2.39 Å. Si is bonded in a 5-coordinate geometry to four equivalent Os+1.50- and one Si atom. The Si–Si bond length is 2.44 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ZrOs2 by Materials Project

ZrOs2 is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Zr4+ is bonded in a 12-coordinate geometry to twelve Os2- atoms. There are a spread of Zr–Os bond distances ranging from 3.06–3.09 Å. There are two inequivalent Os2- sites. In the first Os2- site, Os2- is bonded to six equivalent Zr4+ and six equivalent Os2- atoms to form a mixture of face, edge, and corner-sharing OsZr6Os6 cuboctahedra. All Os–Os bond lengths are 2.66 Å. In the second Os2- site, Os2- is bonded to six equivalent Zr4+ and six Os2- atoms to form a mixture of face, edge, and corner-sharing OsZr6Os6 cuboctahedra. There are two shorter (2.53 Å) and two longer (2.72 Å) Os–Os bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on HfOs2 by Materials Project

HfOs2 is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Hf4+ is bonded in a 12-coordinate geometry to twelve Os2- atoms. There are a spread of Hf–Os bond distances ranging from 3.05–3.07 Å. There are two inequivalent Os2- sites. In the first Os2- site, Os2- is bonded to six equivalent Hf4+ and six equivalent Os2- atoms to form a mixture of corner, edge, and face-sharing OsHf6Os6 cuboctahedra. All Os–Os bond lengths are 2.65 Å. In the second Os2- site, Os2- is bonded to six equivalent Hf4+ and six Os2- atoms to form a mixture of corner, edge, and face-sharing OsHf6Os6 cuboctahedra. There are two shorter (2.51 Å) and two longer (2.71 Å) Os–Os bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Th(GeOs)2 by Materials Project

Th(OsGe)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Th is bonded in a 8-coordinate geometry to eight equivalent Os and eight equivalent Ge atoms. All Th–Os bond lengths are 3.30 Å. All Th–Ge bond lengths are 3.31 Å. Os is bonded in a 4-coordinate geometry to four equivalent Th and four equivalent Ge atoms. All Os–Ge bond lengths are 2.48 Å. Ge is bonded in a 9-coordinate geometry to four equivalent Th, four equivalent Os, and one Ge atom. The Ge–Ge bond length is 2.58 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Nd(SiOs)2 by Materials Project

Nd(OsSi)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Nd3+ is bonded in a 8-coordinate geometry to eight equivalent Os+1.50- atoms. All Nd–Os bond lengths are 3.25 Å. Os+1.50- is bonded in a 4-coordinate geometry to four equivalent Nd3+ and four equivalent Si atoms. All Os–Si bond lengths are 2.41 Å. Si is bonded in a 5-coordinate geometry to four equivalent Os+1.50- and one Si atom. The Si–Si bond length is 2.62 Å.

36 MATERIALS SCIENCE↗