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Results for “O-Re-Yb”

Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Yb(ReO4)3 by Materials Project

Yb(ReO4)3 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. Yb3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are six shorter (2.41 Å) and three longer (2.54 Å) Yb–O bond lengths. Re7+ is bonded in a tetrahedral geometry to four O2- atoms. There is one shorter (1.73 Å) and three longer (1.76 Å) Re–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Yb3+ and one Re7+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one Re7+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one Yb3+ and one Re7+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Yb5(ReO6)2 by Materials Project

Yb5(ReO6)2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are three inequivalent Yb3+ sites. In the first Yb3+ site, Yb3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Yb–O bond distances ranging from 2.30–2.54 Å. In the second Yb3+ site, Yb3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Yb–O bond distances ranging from 2.27–2.54 Å. In the third Yb3+ site, Yb3+ is bonded to six O2- atoms to form YbO6 octahedra that share corners with four equivalent ReO6 octahedra. The corner-sharing octahedral tilt angles are 41°. There are four shorter (2.32 Å) and two longer (2.35 Å) Yb–O bond lengths. Re+4.50+ is bonded to six O2- atoms to form ReO6 octahedra that share corners with two equivalent YbO6 octahedra and edges with two equivalent ReO6 octahedra. The corner-sharing octahedral tilt angles are 41°. There are a spread of Re–O bond distances ranging from 1.84–2.03 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Yb3+ and two equivalent Re+4.50+ atoms. In the second O2- site, O2- is bonded in a 4-coordinate geometry to three Yb3+ and one Re+4.50+ atom. In the third O2- site, O2- is bonded to two Yb3+ and two equivalent Re+4.50+ atoms to form distorted OYb2Re2 tetrahedra that share corners with six equivalent OYb4 tetrahedra and an edgeedge with one OYb2Re2 tetrahedra. In the fourth O2- site, O2- is bonded to four Yb3+ atoms to form OYb4 tetrahedra that share corners with seven OYb2Re2 tetrahedra and edges with three equivalent OYb4 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YbRe3O16 by Materials Project

YbRe3O16 crystallizes in the monoclinic P2_1/c space group. The structure is one-dimensional and consists of four YbRe3O16 ribbons oriented in the (1, 0, 0) direction. Yb is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Yb–O bond distances ranging from 2.25–2.50 Å. There are three inequivalent Re sites. In the first Re site, Re is bonded in a tetrahedral geometry to four O atoms. There are a spread of Re–O bond distances ranging from 1.74–1.78 Å. In the second Re site, Re is bonded in a tetrahedral geometry to four O atoms. There is one shorter (1.74 Å) and three longer (1.76 Å) Re–O bond length. In the third Re site, Re is bonded in a tetrahedral geometry to four O atoms. There are a spread of Re–O bond distances ranging from 1.74–1.78 Å. There are sixteen inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one Re atom. In the second O site, O is bonded in a single-bond geometry to one Re atom. In the third O site, O is bonded in a single-bond geometry to one Re atom. In the fourth O site, O is bonded in a bent 150 degrees geometry to one Yb and one Re atom. In the fifth O site, O is bonded in a bent 150 degrees geometry to one Yb and one Re atom. In the sixth O site, O is bonded in a single-bond geometry to one Re atom. In the seventh O site, O is bonded in a single-bond geometry to one Re atom. In the eighth O site, O is bonded in a single-bond geometry to one Re atom. In the ninth O site, O is bonded in a single-bond geometry to one Re atom. In the tenth O site, O is bonded in a single-bond geometry to one Yb atom. In the eleventh O site, O is bonded in a distorted linear geometry to one Yb and one Re atom. In the twelfth O site, O is bonded in a single-bond geometry to one Yb atom. In the thirteenth O site, O is bonded in a distorted bent 150 degrees geometry to one Yb and one Re atom. In the fourteenth O site, O is bonded in a single-bond geometry to one Yb atom. In the fifteenth O site, O is bonded in a single-bond geometry to one Re atom. In the sixteenth O site, O is bonded in a single-bond geometry to one Yb atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YbReO3 by Materials Project

YbReO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Yb3+ is bonded to twelve equivalent O2- atoms to form YbO12 cuboctahedra that share corners with twelve equivalent YbO12 cuboctahedra, faces with six equivalent YbO12 cuboctahedra, and faces with eight equivalent ReO6 octahedra. All Yb–O bond lengths are 2.78 Å. Re3+ is bonded to six equivalent O2- atoms to form ReO6 octahedra that share corners with six equivalent ReO6 octahedra and faces with eight equivalent YbO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Re–O bond lengths are 1.96 Å. O2- is bonded in a distorted linear geometry to four equivalent Yb3+ and two equivalent Re3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YbRe3O16 by Materials Project

YbRe3O14O2 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of two oxygen molecules and one YbRe3O14 sheet oriented in the (0, 1, 1) direction. In the YbRe3O14 sheet, Yb is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of Yb–O bond distances ranging from 2.25–2.70 Å. There are three inequivalent Re sites. In the first Re site, Re is bonded in a tetrahedral geometry to four O atoms. There are a spread of Re–O bond distances ranging from 1.73–1.80 Å. In the second Re site, Re is bonded in a tetrahedral geometry to four O atoms. There are a spread of Re–O bond distances ranging from 1.72–1.97 Å. In the third Re site, Re is bonded in a tetrahedral geometry to four O atoms. There are a spread of Re–O bond distances ranging from 1.73–1.78 Å. There are fourteen inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one Yb atom. In the second O site, O is bonded in a linear geometry to one Yb and one O atom. The O–O bond length is 1.33 Å. In the third O site, O is bonded in a linear geometry to one Yb and one Re atom. In the fourth O site, O is bonded in a single-bond geometry to one Re atom. In the fifth O site, O is bonded in a single-bond geometry to one Re atom. In the sixth O site, O is bonded in a linear geometry to one Yb and one Re atom. In the seventh O site, O is bonded in a distorted bent 120 degrees geometry to one Re and one O atom. In the eighth O site, O is bonded in a single-bond geometry to one Re atom. In the ninth O site, O is bonded in a single-bond geometry to one Re atom. In the tenth O site, O is bonded in a distorted single-bond geometry to one Yb and one Re atom. In the eleventh O site, O is bonded in a distorted bent 150 degrees geometry to one Yb and one Re atom. In the twelfth O site, O is bonded in a bent 150 degrees geometry to one Yb and one Re atom. In the thirteenth O site, O is bonded in a single-bond geometry to one Re atom. In the fourteenth O site, O is bonded in a single-bond geometry to one Re atom.

36 MATERIALS SCIENCE↗