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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on AlAsO4 by Materials Project

AlAsO4 is quartz (alpha)-derived structured and crystallizes in the trigonal P3_121 space group. The structure is three-dimensional. Al3+ is bonded to four O2- atoms to form AlO4 tetrahedra that share corners with four equivalent AsO4 tetrahedra. There is two shorter (1.76 Å) and two longer (1.77 Å) Al–O bond length. As5+ is bonded to four O2- atoms to form AsO4 tetrahedra that share corners with four equivalent AlO4 tetrahedra. There is two shorter (1.70 Å) and two longer (1.71 Å) As–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Al3+ and one As5+ atom. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Al3+ and one As5+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on AlAsO4 by Materials Project

AlAsO4 is quartz (alpha)-derived structured and crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. Al3+ is bonded to four equivalent O2- atoms to form AlO4 tetrahedra that share corners with four equivalent AsO4 tetrahedra. All Al–O bond lengths are 1.76 Å. As5+ is bonded to four equivalent O2- atoms to form AsO4 tetrahedra that share corners with four equivalent AlO4 tetrahedra. All As–O bond lengths are 1.71 Å. O2- is bonded in a distorted bent 150 degrees geometry to one Al3+ and one As5+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Al4As3O23 by Materials Project

(Al4As3O16)2(O2)7 crystallizes in the cubic P-43m space group. The structure is three-dimensional and consists of seven water molecules and one Al4As3O16 framework. In the Al4As3O16 framework, Al is bonded to six O atoms to form AlO6 octahedra that share corners with three equivalent AsO4 tetrahedra and edges with three equivalent AlO6 octahedra. There is three shorter (1.85 Å) and three longer (1.96 Å) Al–O bond length. As is bonded to four equivalent O atoms to form AsO4 tetrahedra that share corners with four equivalent AlO6 octahedra. The corner-sharing octahedral tilt angles are 56°. All As–O bond lengths are 1.71 Å. There are two inequivalent O sites. In the first O site, O is bonded in a trigonal non-coplanar geometry to three equivalent Al atoms. In the second O site, O is bonded in a bent 120 degrees geometry to one Al and one As atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on AlAsO6 by Materials Project

AlAsO6 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. Al is bonded to six O atoms to form AlO6 octahedra that share corners with four equivalent AsO4 tetrahedra. There are a spread of Al–O bond distances ranging from 1.82–1.95 Å. As is bonded to four O atoms to form AsO4 tetrahedra that share corners with four equivalent AlO6 octahedra. The corner-sharing octahedra tilt angles range from 42–49°. There are a spread of As–O bond distances ranging from 1.69–1.74 Å. There are six inequivalent O sites. In the first O site, O is bonded in a bent 150 degrees geometry to one Al and one As atom. In the second O site, O is bonded in a single-bond geometry to one Al atom. In the third O site, O is bonded in a bent 150 degrees geometry to one Al and one As atom. In the fourth O site, O is bonded in a single-bond geometry to one Al atom. In the fifth O site, O is bonded in a bent 150 degrees geometry to one Al and one As atom. In the sixth O site, O is bonded in a bent 120 degrees geometry to one Al and one As atom.

36 MATERIALS SCIENCE↗