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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Cu(SbO3)2 by Materials Project

CuSb2O6 is Hydrophilite-derived structured and crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. Cu2+ is bonded to six O2- atoms to form CuO6 octahedra that share corners with eight equivalent SbO6 octahedra and edges with two equivalent SbO6 octahedra. The corner-sharing octahedra tilt angles range from 51–52°. There are two shorter (2.07 Å) and four longer (2.08 Å) Cu–O bond lengths. Sb5+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with four equivalent CuO6 octahedra, corners with four equivalent SbO6 octahedra, an edgeedge with one CuO6 octahedra, and an edgeedge with one SbO6 octahedra. The corner-sharing octahedra tilt angles range from 48–52°. There are two shorter (2.01 Å) and four longer (2.03 Å) Sb–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal planar geometry to one Cu2+ and two equivalent Sb5+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to one Cu2+ and two equivalent Sb5+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Cu2SbO5 by Materials Project

CuO2CuSbO3 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one copper(ii) hydroxide molecule and one CuSbO3 cluster. In the CuSbO3 cluster, Cu+2.50+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.69 Å) and one longer (1.75 Å) Cu–O bond length. Sb5+ is bonded in a water-like geometry to two O2- atoms. There is one shorter (1.84 Å) and one longer (1.98 Å) Sb–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one Sb5+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one Cu+2.50+ atom. In the third O2- site, O2- is bonded in a bent 120 degrees geometry to one Cu+2.50+ and one Sb5+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Cu(SbO2)2 by Materials Project

CuSb2O4 crystallizes in the tetragonal P4_2/mbc space group. The structure is three-dimensional. Cu2+ is bonded to six O2- atoms to form edge-sharing CuO6 octahedra. There are four shorter (1.99 Å) and two longer (2.48 Å) Cu–O bond lengths. Sb3+ is bonded in a distorted T-shaped geometry to three O2- atoms. There is one shorter (1.98 Å) and two longer (2.00 Å) Sb–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Cu2+ and one Sb3+ atom. In the second O2- site, O2- is bonded in a trigonal planar geometry to one Cu2+ and two equivalent Sb3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Cu3(SbO3)4 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 Cu(SbO2)2 by Materials Project

CuSb2O4 crystallizes in the tetragonal P4_2bc space group. The structure is three-dimensional. Cu2+ is bonded to six O2- atoms to form distorted edge-sharing CuO6 octahedra. There are a spread of Cu–O bond distances ranging from 1.99–2.49 Å. Sb3+ is bonded in a distorted T-shaped geometry to three O2- atoms. All Sb–O bond lengths are 2.00 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Cu2+ and one Sb3+ atom. In the second O2- site, O2- is bonded in a trigonal planar geometry to one Cu2+ and two equivalent Sb3+ atoms.

36 MATERIALS SCIENCE↗