DOE OSTI2020
Ge(WO3)6 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are eight inequivalent W+5.33+ sites. In the first W+5.33+ site, W+5.33+ is bonded to six O2- atoms to form corner-sharing WO6 octahedra. The corner-sharing octahedra tilt angles range from 0–28°. There is one shorter (1.94 Å) and five longer (1.95 Å) W–O bond length. In the second W+5.33+ site, W+5.33+ is bonded to six O2- atoms to form corner-sharing WO6 octahedra. The corner-sharing octahedra tilt angles range from 0–45°. There are a spread of W–O bond distances ranging from 1.86–2.11 Å. In the third W+5.33+ site, W+5.33+ is bonded to six O2- atoms to form corner-sharing WO6 octahedra. The corner-sharing octahedra tilt angles range from 0–46°. There are a spread of W–O bond distances ranging from 1.87–2.10 Å. In the fourth W+5.33+ site, W+5.33+ is bonded to six O2- atoms to form corner-sharing WO6 octahedra. The corner-sharing octahedra tilt angles range from 0–28°. There are a spread of W–O bond distances ranging from 1.91–1.98 Å. In the fifth W+5.33+ site, W+5.33+ is bonded to six O2- atoms to form corner-sharing WO6 octahedra. The corner-sharing octahedra tilt angles range from 0–46°. There are a spread of W–O bond distances ranging from 1.86–2.11 Å. In the sixth W+5.33+ site, W+5.33+ is bonded to six O2- atoms to form corner-sharing WO6 octahedra. The corner-sharing octahedra tilt angles range from 0–28°. There are a spread of W–O bond distances ranging from 1.90–2.00 Å. In the seventh W+5.33+ site, W+5.33+ is bonded to six O2- atoms to form corner-sharing WO6 octahedra. The corner-sharing octahedra tilt angles range from 0–28°. There is four shorter (1.94 Å) and two longer (1.95 Å) W–O bond length. In the eighth W+5.33+ site, W+5.33+ is bonded to six O2- atoms to form corner-sharing WO6 octahedra. The corner-sharing octahedra tilt angles range from 0–45°. There are a spread of W–O bond distances ranging from 1.92–2.10 Å. There are two inequivalent Ge4+ sites. In the first Ge4+ site, Ge4+ is bonded in an L-shaped geometry to two equivalent O2- atoms. Both Ge–O bond lengths are 1.89 Å. In the second Ge4+ site, Ge4+ is bonded in an L-shaped geometry to two equivalent O2- atoms. Both Ge–O bond lengths are 1.89 Å. There are eighteen inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to two W+5.33+ atoms. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to two W+5.33+ atoms. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to two W+5.33+ atoms. In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to two W+5.33+ and one Ge4+ atom. In the fifth O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent W+5.33+ atoms. In the sixth O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent W+5.33+ atoms. In the seventh O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent W+5.33+ atoms. In the eighth O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent W+5.33+ atoms. In the ninth O2- site, O2- is bonded in a bent 150 degrees geometry to two W+5.33+ atoms. In the tenth O2- site, O2- is bonded in a bent 150 degrees geometry to two W+5.33+ atoms. In the eleventh O2- site, O2- is bonded in a distorted trigonal planar geometry to two W+5.33+ and one Ge4+ atom. In the twelfth O2- site, O2- is bonded in a bent 150 degrees geometry to two W+5.33+ atoms. In the thirteenth O2- site, O2- is bonded in a linear geometry to two W+5.33+ atoms. In the fourteenth O2- site, O2- is bonded in a linear geometry to two W+5.33+ atoms. In the fifteenth O2- site, O2- is bonded in a linear geometry to two W+5.33+ atoms. In the sixteenth O2- site, O2- is bonded in a linear geometry to two W+5.33+ atoms. In the seventeenth O2- site, O2- is bonded in a linear geometry to two W+5.33+ atoms. In the eighteenth O2- site, O2- is bonded in a linear geometry to two W+5.33+ atoms.