Results for “Ni(WO4)2” | Engineering Papers

DOE OSTI2020

Materials Data on Ni(WO4)2 by Materials Project

Ni(WO4)2 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of one Ni(WO4)2 sheet oriented in the (0, 0, 1) direction. W6+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of W–O bond distances ranging from 1.73–2.42 Å. Ni4+ is bonded in an octahedral geometry to six O2- atoms. There are a spread of Ni–O bond distances ranging from 1.87–1.89 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one W6+ atom. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to one W6+ and one Ni4+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent W6+ and one Ni4+ atom. In the fourth O2- site, O2- is bonded in a distorted water-like geometry to two equivalent W6+ and one Ni4+ atom.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on Ni(WO4)2 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 AlNi(WO4)2 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 LiNi(WO4)2 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 Li2Ni(WO4)2 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 AlNi(WO4)2 by Materials Project

NiAl(WO4)2 is zeta iron carbide-derived structured and crystallizes in the monoclinic P2/c space group. The structure is three-dimensional. W+5.50+ is bonded to six O2- atoms to form WO6 octahedra that share corners with four equivalent NiO6 octahedra, corners with four equivalent AlO6 octahedra, and edges with two equivalent WO6 octahedra. The corner-sharing octahedra tilt angles range from 43–56°. There are a spread of W–O bond distances ranging from 1.86–2.12 Å. Ni2+ is bonded to six O2- atoms to form NiO6 octahedra that share corners with eight equivalent WO6 octahedra and edges with two equivalent AlO6 octahedra. The corner-sharing octahedra tilt angles range from 52–56°. There are a spread of Ni–O bond distances ranging from 2.07–2.14 Å. Al3+ is bonded to six O2- atoms to form AlO6 octahedra that share corners with eight equivalent WO6 octahedra and edges with two equivalent NiO6 octahedra. The corner-sharing octahedra tilt angles range from 43–53°. There are a spread of Al–O bond distances ranging from 1.90–2.00 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one W+5.50+, one Ni2+, and one Al3+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent W+5.50+ and one Ni2+ atom. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to one W+5.50+, one Ni2+, and one Al3+ atom. In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent W+5.50+ and one Al3+ atom.

36 MATERIALS SCIENCE↗