Ca2FeO8Cl crystallizes in the triclinic P-1 space group. Ca(1) is bonded in a 8-coordinate geometry to one O(3), two equivalent O(2), two equivalent O(4), and three equivalent O(1) atoms. Fe(1) is bonded in an octahedral geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to three equivalent Ca(1), one Fe(1), and one O(3) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Ca(1), one Fe(1), and one O(2) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Ca(1), one Fe(1), one O(1), and one Cl(1) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to two equivalent Ca(1) atoms. Cl(1) is bonded in a linear geometry to two equivalent O(3) atoms.
Ca2FeO8Cl crystallizes in the triclinic P-1 space group. Ca(1) is bonded in a 8-coordinate geometry to one O(3), two equivalent O(2), two equivalent O(4), and three equivalent O(1) atoms. The Ca(1)-O(3) bond length is 2.28 Å. There is one shorter (2.45 Å) and one longer (2.51 Å) Ca(1)-O(2) bond length. Both Ca(1)-O(4) bond lengths are 2.33 Å. There are a spread of Ca(1)-O(1) bond distances ranging from 2.50-2.64 Å. Fe(1) is bonded in an octahedral geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. Both Fe(1)-O(1) bond lengths are 1.92 Å. Both Fe(1)-O(2) bond lengths are 2.07 Å. Both Fe(1)-O(3) bond lengths are 1.91 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to three equivalent Ca(1), one Fe(1), and one O(3) atom. The O(1)-O(3) bond length is 1.87 Å. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Ca(1), one Fe(1), and one O(2) atom. The O(2)-O(2) bond length is 1.40 Å. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Ca(1), one Fe(1), one O(1), and one Cl(1) atom. The O(3)-Cl(1) bond length is 2.16 Å. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to two equivalent Ca(1) atoms. Cl(1) is bonded in a linear geometry to two equivalent O(3) atoms.