The material structure described by Ba8Y4(Cu4O9)3 crystallizes in the monoclinic C2/m space group. There are four inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 9-coordinate geometry to one O(2), one O(4), one O(9), two equivalent O(6), two equivalent O(7), and two equivalent O(8) atoms. In the second Ba site, Ba(2) is bonded in a 9-coordinate geometry to one O(1), one O(4), one O(9), two equivalent O(5), two equivalent O(7), and two equivalent O(8) atoms. In the third Ba site, Ba(3) is bonded in a 10-coordinate geometry to one O(1), one O(10), one O(3), one O(9), two equivalent O(6), two equivalent O(7), and two equivalent O(8) atoms. In the fourth Ba site, Ba(4) is bonded in a 10-coordinate geometry to one O(10), one O(2), one O(3), one O(9), two equivalent O(5), two equivalent O(7), and two equivalent O(8) atoms. There are three inequivalent Y sites. In the first Y site, Y(1) is bonded in a body-centered cubic geometry to one O(1), one O(2), one O(3), one O(4), and four equivalent O(5) atoms. In the second Y site, Y(2) is bonded in a body-centered cubic geometry to two equivalent O(1), two equivalent O(3), and four equivalent O(6) atoms. In the third Y site, Y(3) is bonded in a body-centered cubic geometry to two equivalent O(2), two equivalent O(4), and four equivalent O(6) atoms. There are four inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(1), one O(2), one O(5), one O(6), and one O(7) atom to form corner-sharing CuO5 square pyramids. In the second Cu site, Cu(2) is bonded to one O(3), one O(4), one O(5), one O(6), and one O(8) atom to form distorted corner-sharing CuO5 square pyramids. In the third Cu site, Cu(3) is bonded in a square co-planar geometry to two equivalent O(7) and two equivalent O(9) atoms. In the fourth Cu site, Cu(4) is bonded in a T-shaped geometry to one O(10) and two equivalent O(8) atoms. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to one Ba(2), one Ba(3), one Y(1), one Y(2), and two equivalent Cu(1) atoms. In the second O site, O(2) is bonded in a 6-coordinate geometry to one Ba(1), one Ba(4), one Y(1), one Y(3), and two equivalent Cu(1) atoms. In the third O site, O(3) is bonded in a 6-coordinate geometry to one Ba(3), one Ba(4), one Y(1), one Y(2), and two equivalent Cu(2) atoms. In the fourth O site, O(4) is bonded in a 6-coordinate geometry to one Ba(1), one Ba(2), one Y(1), one Y(3), and two equivalent Cu(2) atoms. In the fifth O site, O(5) is bonded in a 6-coordinate geometry to one Ba(2), one Ba(4), two equivalent Y(1), one Cu(1), and one Cu(2) atom. In the sixth O site, O(6) is bonded in a 6-coordinate geometry to one Ba(1), one Ba(3), one Y(2), one Y(3), one Cu(1), and one Cu(2) atom. In the seventh O site, O(7) is bonded to one Ba(1), one Ba(2), one Ba(3), one Ba(4), one Cu(1), and one Cu(3) atom to form a mixture of distorted face, corner, and edge-sharing OBa4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-68°. In the eighth O site, O(8) is bonded in a 6-coordinate geometry to one Ba(1), one Ba(2), one Ba(3), one Ba(4), one Cu(2), and one Cu(4) atom. In the ninth O site, O(9) is bonded to one Ba(1), one Ba(2), one Ba(3), one Ba(4), and two equivalent Cu(3) atoms to form a mixture of distorted face, corner, and edge-sharing OBa4Cu2 octahedra. The corner-sharing octahedra are not tilted. In the tenth O site, O(10) is bonded to two equivalent Ba(3), two equivalent Ba(4), and two equivalent Cu(4) atoms to form a mixture of distorted corner and edge-sharing OBa4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 67-68°. is represented by the CIF file [CIF]
data_Ba8Y4(Cu4O9)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.667
_cell_length_b   8.667
_cell_length_c   12.532
_cell_angle_alpha   74.096
_cell_angle_beta   74.096
_cell_angle_gamma   54.177
_symmetry_Int_Tables_number   1
_cell_volume   726.241
_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  0.918  0.918  0.811  1.0
  Ba  Ba1  1  0.176  0.176  0.811  1.0
  Ba  Ba2  1  0.420  0.420  0.817  1.0
  Ba  Ba3  1  0.671  0.671  0.817  1.0
  Ba  Ba4  1  0.082  0.082  0.189  1.0
  Ba  Ba5  1  0.329  0.329  0.183  1.0
  Ba  Ba6  1  0.580  0.580  0.183  1.0
  Ba  Ba7  1  0.824  0.824  0.189  1.0
  Y  Y8  1  0.250  0.250  0.499  1.0
  Y  Y9  1  0.750  0.750  0.501  1.0
  Y  Y10  1  0.500  0.500  0.500  1.0
  Y  Y11  1  0.000  0.000  0.500  1.0
  Cu  Cu12  1  0.089  0.589  0.643  1.0
  Cu  Cu13  1  0.589  0.089  0.643  1.0
  Cu  Cu14  1  0.339  0.840  0.642  1.0
  Cu  Cu15  1  0.840  0.339  0.642  1.0
  Cu  Cu16  1  0.160  0.661  0.358  1.0
  Cu  Cu17  1  0.661  0.160  0.358  1.0
  Cu  Cu18  1  0.411  0.911  0.357  1.0
  Cu  Cu19  1  0.911  0.411  0.357  1.0
  Cu  Cu20  1  0.000  0.500  0.000  1.0
  Cu  Cu21  1  0.500  0.000  0.000  1.0
  Cu  Cu22  1  0.260  0.740  0.000  1.0
  Cu  Cu23  1  0.740  0.260  0.000  1.0
  O  O24  1  0.345  0.345  0.621  1.0
  O  O25  1  0.845  0.845  0.622  1.0
  O  O26  1  0.595  0.595  0.622  1.0
  O  O27  1  0.095  0.095  0.620  1.0
  O  O28  1  0.405  0.405  0.378  1.0
  O  O29  1  0.905  0.905  0.380  1.0
  O  O30  1  0.655  0.655  0.379  1.0
  O  O31  1  0.155  0.155  0.378  1.0
  O  O32  1  0.970  0.470  0.620  1.0
  O  O33  1  0.470  0.970  0.620  1.0
  O  O34  1  0.220  0.720  0.620  1.0
  O  O35  1  0.720  0.220  0.620  1.0
  O  O36  1  0.030  0.530  0.380  1.0
  O  O37  1  0.530  0.030  0.380  1.0
  O  O38  1  0.280  0.780  0.380  1.0
  O  O39  1  0.780  0.280  0.380  1.0
  O  O40  1  0.040  0.540  0.841  1.0
  O  O41  1  0.540  0.040  0.841  1.0
  O  O42  1  0.271  0.805  0.848  1.0
  O  O43  1  0.805  0.271  0.848  1.0
  O  O44  1  0.195  0.729  0.152  1.0
  O  O45  1  0.729  0.195  0.152  1.0
  O  O46  1  0.460  0.960  0.159  1.0
  O  O47  1  0.960  0.460  0.159  1.0
  O  O48  1  0.249  0.249  0.000  1.0
  O  O49  1  0.500  0.500  0.000  1.0
  O  O50  1  0.751  0.751  1.000  1.0
[/CIF]
.
The material structure described by Ba8Y4(Cu4O9)3 crystallizes in the monoclinic C2/m space group. There are four inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 9-coordinate geometry to one O(2), one O(4), one O(9), two equivalent O(6), two equivalent O(7), and two equivalent O(8) atoms. In the second Ba site, Ba(2) is bonded in a 9-coordinate geometry to one O(1), one O(4), one O(9), two equivalent O(5), two equivalent O(7), and two equivalent O(8) atoms. In the third Ba site, Ba(3) is bonded in a 10-coordinate geometry to one O(1), one O(10), one O(3), one O(9), two equivalent O(6), two equivalent O(7), and two equivalent O(8) atoms. In the fourth Ba site, Ba(4) is bonded in a 10-coordinate geometry to one O(10), one O(2), one O(3), one O(9), two equivalent O(5), two equivalent O(7), and two equivalent O(8) atoms. There are three inequivalent Y sites. In the first Y site, Y(1) is bonded in a body-centered cubic geometry to one O(1), one O(2), one O(3), one O(4), and four equivalent O(5) atoms. In the second Y site, Y(2) is bonded in a body-centered cubic geometry to two equivalent O(1), two equivalent O(3), and four equivalent O(6) atoms. In the third Y site, Y(3) is bonded in a body-centered cubic geometry to two equivalent O(2), two equivalent O(4), and four equivalent O(6) atoms. There are four inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(1), one O(2), one O(5), one O(6), and one O(7) atom to form corner-sharing CuO5 square pyramids. In the second Cu site, Cu(2) is bonded to one O(3), one O(4), one O(5), one O(6), and one O(8) atom to form distorted corner-sharing CuO5 square pyramids. In the third Cu site, Cu(3) is bonded in a square co-planar geometry to two equivalent O(7) and two equivalent O(9) atoms. In the fourth Cu site, Cu(4) is bonded in a T-shaped geometry to one O(10) and two equivalent O(8) atoms. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to one Ba(2), one Ba(3), one Y(1), one Y(2), and two equivalent Cu(1) atoms. In the second O site, O(2) is bonded in a 6-coordinate geometry to one Ba(1), one Ba(4), one Y(1), one Y(3), and two equivalent Cu(1) atoms. In the third O site, O(3) is bonded in a 6-coordinate geometry to one Ba(3), one Ba(4), one Y(1), one Y(2), and two equivalent Cu(2) atoms. In the fourth O site, O(4) is bonded in a 6-coordinate geometry to one Ba(1), one Ba(2), one Y(1), one Y(3), and two equivalent Cu(2) atoms. In the fifth O site, O(5) is bonded in a 6-coordinate geometry to one Ba(2), one Ba(4), two equivalent Y(1), one Cu(1), and one Cu(2) atom. In the sixth O site, O(6) is bonded in a 6-coordinate geometry to one Ba(1), one Ba(3), one Y(2), one Y(3), one Cu(1), and one Cu(2) atom. In the seventh O site, O(7) is bonded to one Ba(1), one Ba(2), one Ba(3), one Ba(4), one Cu(1), and one Cu(3) atom to form a mixture of distorted face, corner, and edge-sharing OBa4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-68°. In the eighth O site, O(8) is bonded in a 6-coordinate geometry to one Ba(1), one Ba(2), one Ba(3), one Ba(4), one Cu(2), and one Cu(4) atom. In the ninth O site, O(9) is bonded to one Ba(1), one Ba(2), one Ba(3), one Ba(4), and two equivalent Cu(3) atoms to form a mixture of distorted face, corner, and edge-sharing OBa4Cu2 octahedra. The corner-sharing octahedra are not tilted. In the tenth O site, O(10) is bonded to two equivalent Ba(3), two equivalent Ba(4), and two equivalent Cu(4) atoms to form a mixture of distorted corner and edge-sharing OBa4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 67-68°. is represented by the CIF file [CIF]
data_Ba8Y4(Cu4O9)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.667
_cell_length_b   8.667
_cell_length_c   12.532
_cell_angle_alpha   74.096
_cell_angle_beta   74.096
_cell_angle_gamma   54.177
_symmetry_Int_Tables_number   1
_cell_volume   726.241
_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  0.918  0.918  0.811  1.0
  Ba  Ba1  1  0.176  0.176  0.811  1.0
  Ba  Ba2  1  0.420  0.420  0.817  1.0
  Ba  Ba3  1  0.671  0.671  0.817  1.0
  Ba  Ba4  1  0.082  0.082  0.189  1.0
  Ba  Ba5  1  0.329  0.329  0.183  1.0
  Ba  Ba6  1  0.580  0.580  0.183  1.0
  Ba  Ba7  1  0.824  0.824  0.189  1.0
  Y  Y8  1  0.250  0.250  0.499  1.0
  Y  Y9  1  0.750  0.750  0.501  1.0
  Y  Y10  1  0.500  0.500  0.500  1.0
  Y  Y11  1  0.000  0.000  0.500  1.0
  Cu  Cu12  1  0.089  0.589  0.643  1.0
  Cu  Cu13  1  0.589  0.089  0.643  1.0
  Cu  Cu14  1  0.339  0.840  0.642  1.0
  Cu  Cu15  1  0.840  0.339  0.642  1.0
  Cu  Cu16  1  0.160  0.661  0.358  1.0
  Cu  Cu17  1  0.661  0.160  0.358  1.0
  Cu  Cu18  1  0.411  0.911  0.357  1.0
  Cu  Cu19  1  0.911  0.411  0.357  1.0
  Cu  Cu20  1  0.000  0.500  0.000  1.0
  Cu  Cu21  1  0.500  0.000  0.000  1.0
  Cu  Cu22  1  0.260  0.740  0.000  1.0
  Cu  Cu23  1  0.740  0.260  0.000  1.0
  O  O24  1  0.345  0.345  0.621  1.0
  O  O25  1  0.845  0.845  0.622  1.0
  O  O26  1  0.595  0.595  0.622  1.0
  O  O27  1  0.095  0.095  0.620  1.0
  O  O28  1  0.405  0.405  0.378  1.0
  O  O29  1  0.905  0.905  0.380  1.0
  O  O30  1  0.655  0.655  0.379  1.0
  O  O31  1  0.155  0.155  0.378  1.0
  O  O32  1  0.970  0.470  0.620  1.0
  O  O33  1  0.470  0.970  0.620  1.0
  O  O34  1  0.220  0.720  0.620  1.0
  O  O35  1  0.720  0.220  0.620  1.0
  O  O36  1  0.030  0.530  0.380  1.0
  O  O37  1  0.530  0.030  0.380  1.0
  O  O38  1  0.280  0.780  0.380  1.0
  O  O39  1  0.780  0.280  0.380  1.0
  O  O40  1  0.040  0.540  0.841  1.0
  O  O41  1  0.540  0.040  0.841  1.0
  O  O42  1  0.271  0.805  0.848  1.0
  O  O43  1  0.805  0.271  0.848  1.0
  O  O44  1  0.195  0.729  0.152  1.0
  O  O45  1  0.729  0.195  0.152  1.0
  O  O46  1  0.460  0.960  0.159  1.0
  O  O47  1  0.960  0.460  0.159  1.0
  O  O48  1  0.249  0.249  0.000  1.0
  O  O49  1  0.500  0.500  0.000  1.0
  O  O50  1  0.751  0.751  1.000  1.0
[/CIF]
.