Materials Data on RbNiW(OF)3 by Materials Project
RbWNi(OF)3 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Rb1+ is bonded in a 3-coordinate geometry to three F1- atoms. There are two shorter (2.94 Å) and one longer (2.96 Å) Rb–F bond lengths. W6+ is bonded to four O2- and two equivalent F1- atoms to form WO4F2 octahedra that share corners with two equivalent WO4F2 octahedra and corners with four equivalent NiO2F4 octahedra. The corner-sharing octahedra tilt angles range from 33–50°. There is two shorter (1.84 Å) and two longer (1.95 Å) W–O bond length. Both W–F bond lengths are 2.00 Å. Ni2+ is bonded to two equivalent O2- and four F1- atoms to form NiO2F4 octahedra that share corners with two equivalent NiO2F4 octahedra and corners with four equivalent WO4F2 octahedra. The corner-sharing octahedra tilt angles range from 33–51°. Both Ni–O bond lengths are 1.96 Å. There are two shorter (2.05 Å) and two longer (2.16 Å) Ni–F bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent W6+ atoms. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to one W6+ and one Ni2+ atom. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a 3-coordinate geometry to one Rb1+, one W6+, and one Ni2+ atom. In the second F1- site, F1- is bonded in a 3-coordinate geometry to one Rb1+ and two equivalent Ni2+ atoms.