Ba3CaLa2(Cu3O7)2 crystallizes in the orthorhombic Cmm2 space group. There are three inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 10-coordinate geometry to two equivalent O(3), two equivalent O(4), two equivalent O(7), and four equivalent O(1) atoms. In the second Ba site, Ba(2) is bonded in a 10-coordinate geometry to two equivalent O(3), two equivalent O(4), two equivalent O(7), and four equivalent O(1) atoms. In the third Ba site, Ba(3) is bonded in a distorted q6 geometry to two equivalent O(5), two equivalent O(6), two equivalent O(7), and four equivalent O(2) atoms. Ca(1) is bonded in a body-centered cubic geometry to two equivalent O(3), two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms. There are two inequivalent La sites. In the first La site, La(1) is bonded in a distorted q6 geometry to two equivalent O(5), two equivalent O(6), two equivalent O(7), and four equivalent O(2) atoms. In the second La site, La(2) is bonded in a body-centered cubic geometry to two equivalent O(3), two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(1), two equivalent O(3), and two equivalent O(4) atoms to form corner-sharing CuO5 square pyramids. In the second Cu site, Cu(2) is bonded to one O(2), two equivalent O(5), and two equivalent O(6) atoms to form corner-sharing CuO5 square pyramids. In the third Cu site, Cu(3) is bonded in a square co-planar geometry to one O(1), one O(2), and two equivalent O(7) atoms. There are seven inequivalent O sites. In the first O site, O(5) is bonded to one Ba(3), one Ca(1), one La(1), one La(2), and two equivalent Cu(2) atoms to form distorted OBaCaLa2Cu2 octahedra that share corners with two equivalent O(5)BaCaLa2Cu2 octahedra, corners with four equivalent O(2)Ba2La2Cu2 octahedra, edges with two equivalent O(5)BaCaLa2Cu2 octahedra, faces with two equivalent O(2)Ba2La2Cu2 octahedra, and faces with four equivalent O(6)BaCaLa2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 8-58°. In the second O site, O(6) is bonded to one Ba(3), one Ca(1), one La(1), one La(2), and two equivalent Cu(2) atoms to form distorted OBaCaLa2Cu2 octahedra that share corners with two equivalent O(6)BaCaLa2Cu2 octahedra, corners with four equivalent O(2)Ba2La2Cu2 octahedra, edges with two equivalent O(6)BaCaLa2Cu2 octahedra, faces with two equivalent O(2)Ba2La2Cu2 octahedra, and faces with four equivalent O(5)BaCaLa2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 7-57°. In the third O site, O(7) is bonded in a 6-coordinate geometry to one Ba(1), one Ba(2), one Ba(3), one La(1), and two equivalent Cu(3) atoms. In the fourth O site, O(1) is bonded to two equivalent Ba(1), two equivalent Ba(2), one Cu(1), and one Cu(3) atom to form distorted OBa4Cu2 octahedra that share  a cornercorner with one O(2)Ba2La2Cu2 octahedra, corners with four equivalent O(1)Ba4Cu2 octahedra, and edges with four equivalent O(1)Ba4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-14°. In the fifth O site, O(2) is bonded to two equivalent Ba(3), two equivalent La(1), one Cu(2), and one Cu(3) atom to form distorted OBa2La2Cu2 octahedra that share  a cornercorner with one O(1)Ba4Cu2 octahedra, corners with four equivalent O(2)Ba2La2Cu2 octahedra, corners with four equivalent O(5)BaCaLa2Cu2 octahedra, corners with four equivalent O(6)BaCaLa2Cu2 octahedra, edges with four equivalent O(2)Ba2La2Cu2 octahedra, faces with two equivalent O(5)BaCaLa2Cu2 octahedra, and faces with two equivalent O(6)BaCaLa2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-58°. In the sixth O site, O(3) is bonded in a 6-coordinate geometry to one Ba(1), one Ba(2), one Ca(1), one La(2), and two equivalent Cu(1) atoms. In the seventh O site, O(4) is bonded in a 6-coordinate geometry to one Ba(1), one Ba(2), one Ca(1), one La(2), and two equivalent Cu(1) atoms.
Ba3CaLa2(Cu3O7)2 crystallizes in the orthorhombic Cmm2 space group. There are three inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 10-coordinate geometry to two equivalent O(3), two equivalent O(4), two equivalent O(7), and four equivalent O(1) atoms. Both Ba(1)-O(3) bond lengths are 2.91 Å. Both Ba(1)-O(4) bond lengths are 2.97 Å. Both Ba(1)-O(7) bond lengths are 3.21 Å. All Ba(1)-O(1) bond lengths are 2.77 Å. In the second Ba site, Ba(2) is bonded in a 10-coordinate geometry to two equivalent O(3), two equivalent O(4), two equivalent O(7), and four equivalent O(1) atoms. Both Ba(2)-O(3) bond lengths are 2.93 Å. Both Ba(2)-O(4) bond lengths are 2.99 Å. Both Ba(2)-O(7) bond lengths are 2.90 Å. All Ba(2)-O(1) bond lengths are 2.77 Å. In the third Ba site, Ba(3) is bonded in a distorted q6 geometry to two equivalent O(5), two equivalent O(6), two equivalent O(7), and four equivalent O(2) atoms. Both Ba(3)-O(5) bond lengths are 2.89 Å. Both Ba(3)-O(6) bond lengths are 2.91 Å. Both Ba(3)-O(7) bond lengths are 2.88 Å. All Ba(3)-O(2) bond lengths are 2.76 Å. Ca(1) is bonded in a body-centered cubic geometry to two equivalent O(3), two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms. Both Ca(1)-O(3) bond lengths are 2.45 Å. Both Ca(1)-O(4) bond lengths are 2.45 Å. Both Ca(1)-O(5) bond lengths are 2.49 Å. Both Ca(1)-O(6) bond lengths are 2.53 Å. There are two inequivalent La sites. In the first La site, La(1) is bonded in a distorted q6 geometry to two equivalent O(5), two equivalent O(6), two equivalent O(7), and four equivalent O(2) atoms. Both La(1)-O(5) bond lengths are 2.68 Å. Both La(1)-O(6) bond lengths are 2.70 Å. Both La(1)-O(7) bond lengths are 2.66 Å. All La(1)-O(2) bond lengths are 2.77 Å. In the second La site, La(2) is bonded in a body-centered cubic geometry to two equivalent O(3), two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms. Both La(2)-O(3) bond lengths are 2.47 Å. Both La(2)-O(4) bond lengths are 2.47 Å. Both La(2)-O(5) bond lengths are 2.56 Å. Both La(2)-O(6) bond lengths are 2.59 Å. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(1), two equivalent O(3), and two equivalent O(4) atoms to form corner-sharing CuO5 square pyramids. The Cu(1)-O(1) bond length is 2.29 Å. Both Cu(1)-O(3) bond lengths are 1.98 Å. Both Cu(1)-O(4) bond lengths are 1.94 Å. In the second Cu site, Cu(2) is bonded to one O(2), two equivalent O(5), and two equivalent O(6) atoms to form corner-sharing CuO5 square pyramids. The Cu(2)-O(2) bond length is 2.17 Å. Both Cu(2)-O(5) bond lengths are 1.97 Å. Both Cu(2)-O(6) bond lengths are 1.93 Å. In the third Cu site, Cu(3) is bonded in a square co-planar geometry to one O(1), one O(2), and two equivalent O(7) atoms. The Cu(3)-O(1) bond length is 1.86 Å. The Cu(3)-O(2) bond length is 1.88 Å. Both Cu(3)-O(7) bond lengths are 1.99 Å. There are seven inequivalent O sites. In the first O site, O(5) is bonded to one Ba(3), one Ca(1), one La(1), one La(2), and two equivalent Cu(2) atoms to form distorted OBaCaLa2Cu2 octahedra that share corners with two equivalent O(5)BaCaLa2Cu2 octahedra, corners with four equivalent O(2)Ba2La2Cu2 octahedra, edges with two equivalent O(5)BaCaLa2Cu2 octahedra, faces with two equivalent O(2)Ba2La2Cu2 octahedra, and faces with four equivalent O(6)BaCaLa2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 8-58°. In the second O site, O(6) is bonded to one Ba(3), one Ca(1), one La(1), one La(2), and two equivalent Cu(2) atoms to form distorted OBaCaLa2Cu2 octahedra that share corners with two equivalent O(6)BaCaLa2Cu2 octahedra, corners with four equivalent O(2)Ba2La2Cu2 octahedra, edges with two equivalent O(6)BaCaLa2Cu2 octahedra, faces with two equivalent O(2)Ba2La2Cu2 octahedra, and faces with four equivalent O(5)BaCaLa2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 7-57°. In the third O site, O(7) is bonded in a 6-coordinate geometry to one Ba(1), one Ba(2), one Ba(3), one La(1), and two equivalent Cu(3) atoms. In the fourth O site, O(1) is bonded to two equivalent Ba(1), two equivalent Ba(2), one Cu(1), and one Cu(3) atom to form distorted OBa4Cu2 octahedra that share  a cornercorner with one O(2)Ba2La2Cu2 octahedra, corners with four equivalent O(1)Ba4Cu2 octahedra, and edges with four equivalent O(1)Ba4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-14°. In the fifth O site, O(2) is bonded to two equivalent Ba(3), two equivalent La(1), one Cu(2), and one Cu(3) atom to form distorted OBa2La2Cu2 octahedra that share  a cornercorner with one O(1)Ba4Cu2 octahedra, corners with four equivalent O(2)Ba2La2Cu2 octahedra, corners with four equivalent O(5)BaCaLa2Cu2 octahedra, corners with four equivalent O(6)BaCaLa2Cu2 octahedra, edges with four equivalent O(2)Ba2La2Cu2 octahedra, faces with two equivalent O(5)BaCaLa2Cu2 octahedra, and faces with two equivalent O(6)BaCaLa2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-58°. In the sixth O site, O(3) is bonded in a 6-coordinate geometry to one Ba(1), one Ba(2), one Ca(1), one La(2), and two equivalent Cu(1) atoms. In the seventh O site, O(4) is bonded in a 6-coordinate geometry to one Ba(1), one Ba(2), one Ca(1), one La(2), and two equivalent Cu(1) atoms.