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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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7 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on YC3O8 by Materials Project

YC3O8 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. Y is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of Y–O bond distances ranging from 2.12–2.67 Å. There are three inequivalent C sites. In the first C site, C is bonded in a linear geometry to two O atoms. Both C–O bond lengths are 1.18 Å. In the second C site, C is bonded in a linear geometry to two O atoms. There is one shorter (1.17 Å) and one longer (1.18 Å) C–O bond length. In the third C site, C is bonded in a trigonal planar geometry to three O atoms. There is one shorter (1.28 Å) and two longer (1.30 Å) C–O bond length. There are eight inequivalent O sites. In the first O site, O is bonded in a bent 150 degrees geometry to one Y and one C atom. In the second O site, O is bonded in an L-shaped geometry to one Y and one C atom. In the third O site, O is bonded in a single-bond geometry to one Y atom. In the fourth O site, O is bonded in an L-shaped geometry to one Y and one C atom. In the fifth O site, O is bonded in a distorted single-bond geometry to one Y and one C atom. In the sixth O site, O is bonded in a distorted linear geometry to one Y and one C atom. In the seventh O site, O is bonded in a single-bond geometry to one C atom. In the eighth O site, O is bonded in a distorted linear geometry to one Y and one C atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Y(CO2)3 by Materials Project

Y(CO2)3 crystallizes in the trigonal R3m space group. The structure is three-dimensional. Y3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are three shorter (2.38 Å) and six longer (2.51 Å) Y–O bond lengths. C3+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.24 Å) and one longer (1.26 Å) C–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one Y3+ and one C3+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Y3+ and one C3+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YC3O8 by Materials Project

YC3O8 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. Y is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of Y–O bond distances ranging from 2.18–2.71 Å. There are three inequivalent C sites. In the first C site, C is bonded in a trigonal planar geometry to three O atoms. There are a spread of C–O bond distances ranging from 1.28–1.31 Å. In the second C site, C is bonded in a linear geometry to two O atoms. Both C–O bond lengths are 1.17 Å. In the third C site, C is bonded in a trigonal planar geometry to three O atoms. There are a spread of C–O bond distances ranging from 1.27–1.29 Å. There are eight inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one C atom. In the second O site, O is bonded in a linear geometry to one Y and one C atom. In the third O site, O is bonded in an L-shaped geometry to one Y and one C atom. In the fourth O site, O is bonded in a distorted bent 150 degrees geometry to one Y and one C atom. In the fifth O site, O is bonded in an L-shaped geometry to one Y and one C atom. In the sixth O site, O is bonded in a bent 150 degrees geometry to one Y and one C atom. In the seventh O site, O is bonded in a distorted single-bond geometry to one Y and one C atom. In the eighth O site, O is bonded in a distorted single-bond geometry to one Y and one C atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Y(CO3)2 by Materials Project

Y(CO3)2 crystallizes in the orthorhombic C222_1 space group. The structure is three-dimensional. there are two inequivalent Y sites. In the first Y site, Y is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of Y–O bond distances ranging from 2.38–2.50 Å. In the second Y site, Y is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of Y–O bond distances ranging from 2.37–2.46 Å. There are two inequivalent C sites. In the first C site, C is bonded in a distorted bent 120 degrees geometry to two O atoms. Both C–O bond lengths are 1.25 Å. In the second C site, C is bonded in a trigonal planar geometry to three O atoms. There is two shorter (1.29 Å) and one longer (1.30 Å) C–O bond length. There are seven inequivalent O sites. In the first O site, O is bonded in a 1-coordinate geometry to two Y and one C atom. In the second O site, O is bonded in a distorted T-shaped geometry to two Y and one C atom. In the third O site, O is bonded in a 1-coordinate geometry to two Y and one C atom. In the fourth O site, O is bonded in a single-bond geometry to one Y atom. In the fifth O site, O is bonded in a single-bond geometry to one Y atom. In the sixth O site, O is bonded in a bent 120 degrees geometry to one Y and one C atom. In the seventh O site, O is bonded in a bent 120 degrees geometry to one Y and one C atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YCO4 by Materials Project

YCO4 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. Y is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of Y–O bond distances ranging from 2.22–2.83 Å. C is bonded in a trigonal planar geometry to three O atoms. There are a spread of C–O bond distances ranging from 1.28–1.31 Å. There are four inequivalent O sites. In the first O site, O is bonded in a bent 120 degrees geometry to two equivalent Y atoms. In the second O site, O is bonded in a distorted single-bond geometry to two equivalent Y and one C atom. In the third O site, O is bonded in a distorted single-bond geometry to three equivalent Y and one C atom. In the fourth O site, O is bonded in a distorted single-bond geometry to two equivalent Y and one C atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Y2C3O11 by Materials Project

Y2C3O11 crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. Y is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of Y–O bond distances ranging from 2.38–2.51 Å. There are two inequivalent C sites. In the first C site, C is bonded in a trigonal planar geometry to three O atoms. There are a spread of C–O bond distances ranging from 1.28–1.30 Å. In the second C site, C is bonded in a trigonal planar geometry to three O atoms. There is two shorter (1.27 Å) and one longer (1.36 Å) C–O bond length. There are six inequivalent O sites. In the first O site, O is bonded in a distorted T-shaped geometry to two equivalent Y and one C atom. In the second O site, O is bonded in a distorted L-shaped geometry to one Y and one C atom. In the third O site, O is bonded in a single-bond geometry to one Y atom. In the fourth O site, O is bonded in a distorted single-bond geometry to two equivalent Y and one C atom. In the fifth O site, O is bonded in a distorted single-bond geometry to two equivalent Y and one C atom. In the sixth O site, O is bonded in a distorted single-bond geometry to two equivalent Y and one C atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Y(CO2)4 by Materials Project

Y(CO2)4 crystallizes in the tetragonal P4/n space group. The structure is two-dimensional and consists of one Y(CO2)4 sheet oriented in the (0, 0, 1) direction. Y3+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are four shorter (2.29 Å) and four longer (2.46 Å) Y–O bond lengths. C+3.25+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.24 Å) and one longer (1.25 Å) C–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to one Y3+ and one C+3.25+ atom. In the second O2- site, O2- is bonded in a distorted linear geometry to one Y3+ and one C+3.25+ atom.

36 MATERIALS SCIENCE↗