Fe3B7O13Cl crystallizes in the trigonal R3c space group. Fe(1) is bonded to one O(1), one O(2), one O(4), one O(5), and one Cl(1) atom to form FeClO4 trigonal bipyramids that share corners with three equivalent B(1)O4 tetrahedra, corners with four equivalent B(2)O4 tetrahedra, and corners with two equivalent Fe(1)ClO4 trigonal bipyramids. There are three inequivalent B sites. In the first B site, B(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form BO4 tetrahedra that share corners with two equivalent B(1)O4 tetrahedra, corners with three equivalent B(2)O4 tetrahedra, and corners with three equivalent Fe(1)ClO4 trigonal bipyramids. In the second B site, B(2) is bonded to one O(1), one O(2), one O(4), and one O(5) atom to form BO4 tetrahedra that share corners with three equivalent B(1)O4 tetrahedra and corners with four equivalent Fe(1)ClO4 trigonal bipyramids. In the third B site, B(3) is bonded in a trigonal planar geometry to three equivalent O(5) atoms. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Fe(1), one B(1), and one B(2) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Fe(1), one B(1), and one B(2) atom. In the third O site, O(3) is bonded in a trigonal non-coplanar geometry to three equivalent B(1) atoms. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Fe(1), one B(1), and one B(2) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Fe(1), one B(2), and one B(3) atom. Cl(1) is bonded in a distorted trigonal non-coplanar geometry to three equivalent Fe(1) atoms.
Fe3B7O13Cl crystallizes in the trigonal R3c space group. Fe(1) is bonded to one O(1), one O(2), one O(4), one O(5), and one Cl(1) atom to form FeClO4 trigonal bipyramids that share corners with three equivalent B(1)O4 tetrahedra, corners with four equivalent B(2)O4 tetrahedra, and corners with two equivalent Fe(1)ClO4 trigonal bipyramids. The Fe(1)-O(1) bond length is 2.17 Å. The Fe(1)-O(2) bond length is 2.06 Å. The Fe(1)-O(4) bond length is 2.15 Å. The Fe(1)-O(5) bond length is 2.11 Å. The Fe(1)-Cl(1) bond length is 2.55 Å. There are three inequivalent B sites. In the first B site, B(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form BO4 tetrahedra that share corners with two equivalent B(1)O4 tetrahedra, corners with three equivalent B(2)O4 tetrahedra, and corners with three equivalent Fe(1)ClO4 trigonal bipyramids. The B(1)-O(1) bond length is 1.46 Å. The B(1)-O(2) bond length is 1.48 Å. The B(1)-O(3) bond length is 1.57 Å. The B(1)-O(4) bond length is 1.45 Å. In the second B site, B(2) is bonded to one O(1), one O(2), one O(4), and one O(5) atom to form BO4 tetrahedra that share corners with three equivalent B(1)O4 tetrahedra and corners with four equivalent Fe(1)ClO4 trigonal bipyramids. The B(2)-O(1) bond length is 1.46 Å. The B(2)-O(2) bond length is 1.48 Å. The B(2)-O(4) bond length is 1.46 Å. The B(2)-O(5) bond length is 1.52 Å. In the third B site, B(3) is bonded in a trigonal planar geometry to three equivalent O(5) atoms. All B(3)-O(5) bond lengths are 1.38 Å. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Fe(1), one B(1), and one B(2) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Fe(1), one B(1), and one B(2) atom. In the third O site, O(3) is bonded in a trigonal non-coplanar geometry to three equivalent B(1) atoms. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Fe(1), one B(1), and one B(2) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Fe(1), one B(2), and one B(3) atom. Cl(1) is bonded in a distorted trigonal non-coplanar geometry to three equivalent Fe(1) atoms.