La4O4Br3Cl is Matlockite-derived structured and crystallizes in the orthorhombic Amm2 space group. There are three inequivalent La sites. In the first La site, La(1) is bonded in a 4-coordinate geometry to two equivalent O(1), two equivalent O(3), one Br(1), and four equivalent Br(2) atoms. In the second La site, La(2) is bonded in a 4-coordinate geometry to two equivalent O(2), two equivalent O(3), four equivalent Br(2), and one Cl(1) atom. In the third La site, La(3) is bonded in a 4-coordinate geometry to one O(1), one O(2), two equivalent O(3), one Br(2), two equivalent Br(1), and two equivalent Cl(1) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent La(1) and two equivalent La(3) atoms to form a mixture of corner and edge-sharing OLa4 tetrahedra. In the second O site, O(2) is bonded to two equivalent La(2) and two equivalent La(3) atoms to form a mixture of corner and edge-sharing OLa4 tetrahedra. In the third O site, O(3) is bonded to one La(1), one La(2), and two equivalent La(3) atoms to form a mixture of corner and edge-sharing OLa4 tetrahedra. There are two inequivalent Br sites. In the first Br site, Br(1) is bonded in a 5-coordinate geometry to one La(1) and four equivalent La(3) atoms. In the second Br site, Br(2) is bonded in a 5-coordinate geometry to one La(3), two equivalent La(1), and two equivalent La(2) atoms. Cl(1) is bonded in a 5-coordinate geometry to one La(2) and four equivalent La(3) atoms.
La4O4Br3Cl is Matlockite-derived structured and crystallizes in the orthorhombic Amm2 space group. There are three inequivalent La sites. In the first La site, La(1) is bonded in a 4-coordinate geometry to two equivalent O(1), two equivalent O(3), one Br(1), and four equivalent Br(2) atoms. Both La(1)-O(1) bond lengths are 2.40 Å. Both La(1)-O(3) bond lengths are 2.39 Å. The La(1)-Br(1) bond length is 3.54 Å. All La(1)-Br(2) bond lengths are 3.33 Å. In the second La site, La(2) is bonded in a 4-coordinate geometry to two equivalent O(2), two equivalent O(3), four equivalent Br(2), and one Cl(1) atom. Both La(2)-O(2) bond lengths are 2.40 Å. Both La(2)-O(3) bond lengths are 2.40 Å. All La(2)-Br(2) bond lengths are 3.31 Å. The La(2)-Cl(1) bond length is 3.61 Å. In the third La site, La(3) is bonded in a 4-coordinate geometry to one O(1), one O(2), two equivalent O(3), one Br(2), two equivalent Br(1), and two equivalent Cl(1) atoms. The La(3)-O(1) bond length is 2.39 Å. The La(3)-O(2) bond length is 2.42 Å. Both La(3)-O(3) bond lengths are 2.40 Å. The La(3)-Br(2) bond length is 3.50 Å. Both La(3)-Br(1) bond lengths are 3.31 Å. Both La(3)-Cl(1) bond lengths are 3.26 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent La(1) and two equivalent La(3) atoms to form a mixture of corner and edge-sharing OLa4 tetrahedra. In the second O site, O(2) is bonded to two equivalent La(2) and two equivalent La(3) atoms to form a mixture of corner and edge-sharing OLa4 tetrahedra. In the third O site, O(3) is bonded to one La(1), one La(2), and two equivalent La(3) atoms to form a mixture of corner and edge-sharing OLa4 tetrahedra. There are two inequivalent Br sites. In the first Br site, Br(1) is bonded in a 5-coordinate geometry to one La(1) and four equivalent La(3) atoms. In the second Br site, Br(2) is bonded in a 5-coordinate geometry to one La(3), two equivalent La(1), and two equivalent La(2) atoms. Cl(1) is bonded in a 5-coordinate geometry to one La(2) and four equivalent La(3) atoms.