Ca2WFeO6 crystallizes in the orthorhombic Imm2 space group. Ca(1) is bonded in a 7-coordinate geometry to two equivalent O(2), two equivalent O(3), and three equivalent O(1) atoms. W(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form WO6 octahedra that share corners with six equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-7°. Fe(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form FeO6 octahedra that share corners with six equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-7°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to three equivalent Ca(1), one W(1), and one Fe(1) atom. In the second O site, O(2) is bonded in a distorted see-saw-like geometry to two equivalent Ca(1), one W(1), and one Fe(1) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Ca(1), one W(1), and one Fe(1) atom.
Ca2WFeO6 crystallizes in the orthorhombic Imm2 space group. Ca(1) is bonded in a 7-coordinate geometry to two equivalent O(2), two equivalent O(3), and three equivalent O(1) atoms. Both Ca(1)-O(2) bond lengths are 2.57 Å. Both Ca(1)-O(3) bond lengths are 2.58 Å. There is one shorter (2.44 Å) and two longer (2.85 Å) Ca(1)-O(1) bond lengths. W(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form WO6 octahedra that share corners with six equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-7°. Both W(1)-O(1) bond lengths are 1.93 Å. Both W(1)-O(2) bond lengths are 1.92 Å. Both W(1)-O(3) bond lengths are 1.96 Å. Fe(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form FeO6 octahedra that share corners with six equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-7°. Both Fe(1)-O(1) bond lengths are 1.99 Å. Both Fe(1)-O(2) bond lengths are 2.15 Å. Both Fe(1)-O(3) bond lengths are 2.06 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to three equivalent Ca(1), one W(1), and one Fe(1) atom. In the second O site, O(2) is bonded in a distorted see-saw-like geometry to two equivalent Ca(1), one W(1), and one Fe(1) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Ca(1), one W(1), and one Fe(1) atom.