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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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8 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on UN2O11 by Materials Project

UN2O9O2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four oxygen molecules and four UN2O9 clusters. In each UN2O9 cluster, U is bonded in a 3-coordinate geometry to five O atoms. There are a spread of U–O bond distances ranging from 1.82–2.51 Å. There are two inequivalent N sites. In the first N site, N is bonded in a trigonal planar geometry to three O atoms. There are a spread of N–O bond distances ranging from 1.22–1.31 Å. In the second N site, N is bonded in a trigonal planar geometry to three O atoms. There is one shorter (1.22 Å) and two longer (1.29 Å) N–O bond length. There are nine inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to one N atom. In the second O site, O is bonded in a single-bond geometry to one N atom. In the third O site, O is bonded in a single-bond geometry to one N atom. In the fourth O site, O is bonded in a single-bond geometry to one U atom. In the fifth O site, O is bonded in a single-bond geometry to one U atom. In the sixth O site, O is bonded in a single-bond geometry to one U atom. In the seventh O site, O is bonded in a distorted single-bond geometry to one N atom. In the eighth O site, O is bonded in a distorted water-like geometry to one U and one N atom. In the ninth O site, O is bonded in a distorted single-bond geometry to one U and one N atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on U(NO7)2 by Materials Project

UNO7NO3(O2)2 crystallizes in the orthorhombic Cmc2_1 space group. The structure is zero-dimensional and consists of eight molecular oxygen molecules, four nitric acid molecules, and four UNO7 clusters. In each UNO7 cluster, U is bonded in a distorted rectangular see-saw-like geometry to six O atoms. There are a spread of U–O bond distances ranging from 1.83–2.45 Å. N is bonded in a trigonal planar geometry to three O atoms. There is one shorter (1.22 Å) and two longer (1.29 Å) N–O bond length. There are five inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one U atom. In the second O site, O is bonded in a single-bond geometry to one U atom. In the third O site, O is bonded in a distorted single-bond geometry to one U and one N atom. In the fourth O site, O is bonded in a single-bond geometry to one N atom. In the fifth O site, O is bonded in a single-bond geometry to one U atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on UN2O7 by Materials Project

UN2O7 crystallizes in the orthorhombic Pbcn space group. The structure is one-dimensional and consists of two UN2O7 ribbons oriented in the (2, 0, -1) direction. U6+ is bonded in a distorted linear geometry to four O2- atoms. There are two shorter (1.79 Å) and two longer (2.51 Å) U–O bond lengths. N4+ is bonded in a bent 120 degrees geometry to two O2- atoms. Both N–O bond lengths are 1.25 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent O2- atoms. Both O–O bond lengths are 2.96 Å. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one U6+, one N4+, and one O2- atom. In the third O2- site, O2- is bonded in a single-bond geometry to one U6+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one N4+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on UNO8 by Materials Project

U2NO13NO3 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two nitric acid molecules and two U2NO13 clusters. In each U2NO13 cluster, there are two inequivalent U sites. In the first U site, U is bonded in a 2-coordinate geometry to five O atoms. There are a spread of U–O bond distances ranging from 1.81–2.58 Å. In the second U site, U is bonded in a 4-coordinate geometry to six O atoms. There are a spread of U–O bond distances ranging from 1.82–2.92 Å. N is bonded in a trigonal planar geometry to three O atoms. There are a spread of N–O bond distances ranging from 1.23–1.29 Å. There are thirteen inequivalent O sites. In the first O site, O is bonded in a bent 120 degrees geometry to one U and one O atom. The O–O bond length is 1.23 Å. In the second O site, O is bonded in a distorted single-bond geometry to one O atom. The O–O bond length is 1.23 Å. In the third O site, O is bonded in a distorted L-shaped geometry to one U and one O atom. In the fourth O site, O is bonded in a single-bond geometry to one O atom. In the fifth O site, O is bonded in a single-bond geometry to one U atom. In the sixth O site, O is bonded in a single-bond geometry to one U atom. In the seventh O site, O is bonded in a single-bond geometry to one U atom. In the eighth O site, O is bonded in a single-bond geometry to one U atom. In the ninth O site, O is bonded in a water-like geometry to two U atoms. In the tenth O site, O is bonded in a water-like geometry to two U atoms. In the eleventh O site, O is bonded in a distorted water-like geometry to one U and one N atom. In the twelfth O site, O is bonded in a single-bond geometry to one N atom. In the thirteenth O site, O is bonded in a single-bond geometry to one N atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on U(NO7)2 by Materials Project

UO8(NO3)2 crystallizes in the orthorhombic Cmc2_1 space group. The structure is zero-dimensional and consists of eight nitric acid molecules and four UO8 clusters. In each UO8 cluster, U is bonded in a 4-coordinate geometry to six O atoms. There are a spread of U–O bond distances ranging from 1.81–2.79 Å. There are five inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one O atom. The O–O bond length is 1.24 Å. In the second O site, O is bonded in a single-bond geometry to one U atom. In the third O site, O is bonded in a single-bond geometry to one U atom. In the fourth O site, O is bonded in a single-bond geometry to one U atom. In the fifth O site, O is bonded in a water-like geometry to one U and one O atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on U(NO5)2 by Materials Project

UNO8NO2 crystallizes in the monoclinic Cm space group. The structure is one-dimensional and consists of two nitrous acid molecules and two UNO8 ribbons oriented in the (0, 1, 0) direction. In each UNO8 ribbon, U is bonded in a distorted see-saw-like geometry to six O atoms. There are a spread of U–O bond distances ranging from 1.83–2.81 Å. N is bonded in a 4-coordinate geometry to four O atoms. There is two shorter (1.19 Å) and two longer (1.98 Å) N–O bond length. There are six inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one U atom. In the second O site, O is bonded in a single-bond geometry to one U atom. In the third O site, O is bonded in a single-bond geometry to one N atom. In the fourth O site, O is bonded in a single-bond geometry to one N atom. In the fifth O site, O is bonded in a bent 150 degrees geometry to one U and one O atom. The O–O bond length is 1.23 Å. In the sixth O site, O is bonded in a distorted bent 150 degrees geometry to one U and one N atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on U3NO23 by Materials Project

Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on U(NO5)2 by Materials Project

UNO8NO2 crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two nitrous acid molecules and two UNO8 clusters. In each UNO8 cluster, U is bonded in a distorted linear geometry to eight O atoms. There are a spread of U–O bond distances ranging from 1.80–2.56 Å. N is bonded in a bent 120 degrees geometry to two equivalent O atoms. Both N–O bond lengths are 1.26 Å. There are five inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one U atom. In the second O site, O is bonded in a single-bond geometry to one U atom. In the third O site, O is bonded in a 2-coordinate geometry to one U and one O atom. The O–O bond length is 1.31 Å. In the fourth O site, O is bonded in a distorted L-shaped geometry to one U and one N atom. In the fifth O site, O is bonded in a distorted L-shaped geometry to one U and one O atom.

36 MATERIALS SCIENCE↗