The crystal structure described by 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. is represented by the CIF card [CIF]
data_Ba3CaLa2(Cu3O7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.500
_cell_length_b   5.500
_cell_length_c   11.717
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   91.218
_symmetry_Int_Tables_number   1
_cell_volume   354.367
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Ba  Ba0  1  0.000  0.000  0.184  1.0
  Ba  Ba1  1  0.500  0.500  0.183  1.0
  Ba  Ba2  1  0.000  0.000  0.820  1.0
  Ca  Ca3  1  0.500  0.500  0.499  1.0
  La  La4  1  0.500  0.500  0.805  1.0
  La  La5  1  0.000  0.000  0.503  1.0
  Cu  Cu6  1  0.000  0.500  0.351  1.0
  Cu  Cu7  1  0.500  0.000  0.351  1.0
  Cu  Cu8  1  0.000  0.500  0.652  1.0
  Cu  Cu9  1  0.500  0.000  0.652  1.0
  Cu  Cu10  1  0.000  0.500  0.997  1.0
  Cu  Cu11  1  0.500  0.000  0.997  1.0
  O  O12  1  0.000  0.500  0.156  1.0
  O  O13  1  0.500  0.000  0.156  1.0
  O  O14  1  0.000  0.500  0.837  1.0
  O  O15  1  0.500  0.000  0.837  1.0
  O  O16  1  0.751  0.751  0.371  1.0
  O  O17  1  0.249  0.249  0.371  1.0
  O  O18  1  0.249  0.751  0.375  1.0
  O  O19  1  0.751  0.249  0.375  1.0
  O  O20  1  0.741  0.741  0.641  1.0
  O  O21  1  0.259  0.259  0.641  1.0
  O  O22  1  0.258  0.742  0.642  1.0
  O  O23  1  0.742  0.258  0.642  1.0
  O  O24  1  0.718  0.718  0.981  1.0
  O  O25  1  0.282  0.282  0.981  1.0
[/CIF]
.
The crystal structure described by 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. is represented by the CIF card [CIF]
data_Ba3CaLa2(Cu3O7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.500
_cell_length_b   5.500
_cell_length_c   11.717
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   91.218
_symmetry_Int_Tables_number   1
_cell_volume   354.367
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Ba  Ba0  1  0.000  0.000  0.184  1.0
  Ba  Ba1  1  0.500  0.500  0.183  1.0
  Ba  Ba2  1  0.000  0.000  0.820  1.0
  Ca  Ca3  1  0.500  0.500  0.499  1.0
  La  La4  1  0.500  0.500  0.805  1.0
  La  La5  1  0.000  0.000  0.503  1.0
  Cu  Cu6  1  0.000  0.500  0.351  1.0
  Cu  Cu7  1  0.500  0.000  0.351  1.0
  Cu  Cu8  1  0.000  0.500  0.652  1.0
  Cu  Cu9  1  0.500  0.000  0.652  1.0
  Cu  Cu10  1  0.000  0.500  0.997  1.0
  Cu  Cu11  1  0.500  0.000  0.997  1.0
  O  O12  1  0.000  0.500  0.156  1.0
  O  O13  1  0.500  0.000  0.156  1.0
  O  O14  1  0.000  0.500  0.837  1.0
  O  O15  1  0.500  0.000  0.837  1.0
  O  O16  1  0.751  0.751  0.371  1.0
  O  O17  1  0.249  0.249  0.371  1.0
  O  O18  1  0.249  0.751  0.375  1.0
  O  O19  1  0.751  0.249  0.375  1.0
  O  O20  1  0.741  0.741  0.641  1.0
  O  O21  1  0.259  0.259  0.641  1.0
  O  O22  1  0.258  0.742  0.642  1.0
  O  O23  1  0.742  0.258  0.642  1.0
  O  O24  1  0.718  0.718  0.981  1.0
  O  O25  1  0.282  0.282  0.981  1.0
[/CIF]
.