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Materials Data on SbAsO5 by Materials Project

SbAsO5 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. Sb5+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with two equivalent SbO6 octahedra and corners with four equivalent AsO4 tetrahedra. The corner-sharing octahedral tilt angles are 47°. There are a spread of Sb–O bond distances ranging from 1.95–2.04 Å. As5+ is bonded to four O2- atoms to form AsO4 tetrahedra that share corners with four equivalent SbO6 octahedra. The corner-sharing octahedra tilt angles range from 43–57°. There is two shorter (1.72 Å) and two longer (1.73 Å) As–O bond length. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to one Sb5+ and one As5+ atom. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to one Sb5+ and one As5+ atom. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two equivalent Sb5+ atoms. In the fourth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Sb5+ and one As5+ atom. In the fifth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Sb5+ and one As5+ atom.

36 MATERIALS SCIENCE↗

Materials Data on SbAsO3 by Materials Project

SbAsO3 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of two SbAsO3 sheets oriented in the (0, 1, 0) direction. Sb3+ is bonded in a 3-coordinate geometry to three O2- atoms. There are one shorter (2.01 Å) and two longer (2.03 Å) Sb–O bond lengths. As3+ is bonded in a distorted trigonal non-coplanar geometry to three O2- atoms. There is two shorter (1.81 Å) and one longer (1.83 Å) As–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to one Sb3+ and one As3+ atom. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to one Sb3+ and one As3+ atom. In the third O2- site, O2- is bonded in a bent 120 degrees geometry to one Sb3+ and one As3+ atom.

36 MATERIALS SCIENCE↗

Materials Data on SbAsO4 by Materials Project

SbAsO4 crystallizes in the monoclinic P2_1/m space group. The structure is two-dimensional and consists of one SbAsO4 sheet oriented in the (0, 0, 1) direction. Sb3+ is bonded in a rectangular see-saw-like geometry to four O2- atoms. There are a spread of Sb–O bond distances ranging from 2.03–2.20 Å. As5+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of As–O bond distances ranging from 1.70–1.75 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to one Sb3+ and one As5+ atom. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Sb3+ and one As5+ atom. In the third O2- site, O2- is bonded in a bent 120 degrees geometry to one Sb3+ and one As5+ atom.

36 MATERIALS SCIENCE↗