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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on AlO3 by Materials Project

AlO3 crystallizes in the monoclinic C2/c space group. The structure is two-dimensional and consists of two AlO3 sheets oriented in the (0, 0, 1) direction. Al is bonded to six O atoms to form distorted edge-sharing AlO6 octahedra. There is four shorter (1.88 Å) and two longer (1.89 Å) Al–O bond length. There are three inequivalent O sites. In the first O site, O is bonded in a bent 120 degrees geometry to two equivalent Al atoms. In the second O site, O is bonded in a bent 120 degrees geometry to two equivalent Al atoms. In the third O site, O is bonded in a water-like geometry to two equivalent Al atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on AlO3 by Materials Project

AlO3 crystallizes in the trigonal P-31m space group. The structure is two-dimensional and consists of one AlO3 sheet oriented in the (0, 0, 1) direction. Al is bonded to six equivalent O atoms to form distorted edge-sharing AlO6 octahedra. All Al–O bond lengths are 1.89 Å. O is bonded in a water-like geometry to two equivalent Al atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on AlO3 by Materials Project

AlO3 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of two AlO3 sheets oriented in the (-1, 0, 1) direction. there are two inequivalent Al sites. In the first Al site, Al is bonded to six O atoms to form distorted edge-sharing AlO6 octahedra. There is five shorter (1.88 Å) and one longer (1.89 Å) Al–O bond length. In the second Al site, Al is bonded to six O atoms to form distorted edge-sharing AlO6 octahedra. There is four shorter (1.88 Å) and two longer (1.89 Å) Al–O bond length. There are six inequivalent O sites. In the first O site, O is bonded in a bent 120 degrees geometry to two Al atoms. In the second O site, O is bonded in a bent 120 degrees geometry to two Al atoms. In the third O site, O is bonded in a bent 120 degrees geometry to two equivalent Al atoms. In the fourth O site, O is bonded in a bent 120 degrees geometry to two equivalent Al atoms. In the fifth O site, O is bonded in a water-like geometry to two Al atoms. In the sixth O site, O is bonded in a water-like geometry to two Al atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on AlO3 by Materials Project

AlO3 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of one AlO3 sheet oriented in the (1, 0, -1) direction. Al is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Al–O bond distances ranging from 1.82–2.05 Å. There are three inequivalent O sites. In the first O site, O is bonded in a water-like geometry to two equivalent Al atoms. In the second O site, O is bonded in a water-like geometry to two equivalent Al atoms. In the third O site, O is bonded in a 3-coordinate geometry to two equivalent Al and one O atom. The O–O bond length is 1.41 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on AlO3 by Materials Project

AlO3 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of one AlO3 sheet oriented in the (0, 1, 1) direction. there are two inequivalent Al sites. In the first Al site, Al is bonded to six O atoms to form distorted edge-sharing AlO6 octahedra. There are a spread of Al–O bond distances ranging from 1.87–1.90 Å. In the second Al site, Al is bonded to six O atoms to form distorted edge-sharing AlO6 octahedra. There are a spread of Al–O bond distances ranging from 1.87–1.90 Å. There are six inequivalent O sites. In the first O site, O is bonded in a water-like geometry to two Al atoms. In the second O site, O is bonded in a bent 120 degrees geometry to two Al atoms. In the third O site, O is bonded in a water-like geometry to two equivalent Al atoms. In the fourth O site, O is bonded in a bent 120 degrees geometry to two equivalent Al atoms. In the fifth O site, O is bonded in a bent 120 degrees geometry to two Al atoms. In the sixth O site, O is bonded in a bent 120 degrees geometry to two Al atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on AlO3 by Materials Project

AlO3 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of two AlO3 sheets oriented in the (0, 0, 1) direction. Al is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Al–O bond distances ranging from 1.83–2.05 Å. There are three inequivalent O sites. In the first O site, O is bonded in a 3-coordinate geometry to two equivalent Al and one O atom. The O–O bond length is 1.39 Å. In the second O site, O is bonded in a water-like geometry to two equivalent Al atoms. In the third O site, O is bonded in a water-like geometry to two equivalent Al atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on AlO3 by Materials Project

AlO3 is alpha Rhenium trioxide-like structured and crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Al is bonded to six equivalent O atoms to form corner-sharing AlO6 octahedra. The corner-sharing octahedral tilt angles are 9°. All Al–O bond lengths are 1.86 Å. O is bonded in a linear geometry to two equivalent Al atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Materials Data on AlO3 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 Al2Si2O11 by Materials Project

(AlO3)2Si2O5 crystallizes in the monoclinic Cm space group. The structure is two-dimensional and consists of one AlO3 sheet oriented in the (0, 0, 1) direction and one Si2O5 sheet oriented in the (0, 0, 1) direction. In the AlO3 sheet, Al is bonded to six O atoms to form distorted edge-sharing AlO6 octahedra. There are a spread of Al–O bond distances ranging from 1.86–1.89 Å. There are four inequivalent O sites. In the first O site, O is bonded in a water-like geometry to two equivalent Al atoms. In the second O site, O is bonded in a water-like geometry to two equivalent Al atoms. In the third O site, O is bonded in a water-like geometry to two equivalent Al atoms. In the fourth O site, O is bonded in a water-like geometry to two equivalent Al atoms. In the Si2O5 sheet, Si is bonded to four O atoms to form corner-sharing SiO4 tetrahedra. There are a spread of Si–O bond distances ranging from 1.63–1.66 Å. There are three inequivalent O sites. In the first O site, O is bonded in a bent 150 degrees geometry to two equivalent Si atoms. In the second O site, O is bonded in a bent 150 degrees geometry to two equivalent Si atoms. In the third O site, O is bonded in a single-bond geometry to one Si atom.

36 MATERIALS SCIENCE↗