The structure described by Ba6Y3Cu9O20 crystallizes in the triclinic P-1 space group. There are three inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 9-coordinate geometry to one O(1), one O(10), one O(3), one O(4), one O(6), one O(8), one O(9), and two equivalent O(7) atoms. In the second Ba site, Ba(2) is bonded in a 10-coordinate geometry to one O(2), one O(3), one O(5), one O(6), one O(7), one O(8), two equivalent O(10), and two equivalent O(9) atoms. In the third Ba site, Ba(3) is bonded in a 9-coordinate geometry to one O(1), one O(10), one O(2), one O(4), one O(5), one O(7), one O(9), and two equivalent O(8) atoms. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a body-centered cubic geometry to two equivalent O(1), two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms. In the second Y site, Y(2) is bonded in a body-centered cubic geometry to one O(1), one O(2), one O(4), one O(5), two equivalent O(3), and two equivalent O(6) atoms. There are five inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(1), one O(3), one O(4), one O(6), and one O(7) atom to form distorted corner-sharing CuO5 square pyramids. In the second Cu site, Cu(2) is bonded to one O(1), one O(2), one O(4), one O(5), and one O(8) atom to form distorted corner-sharing CuO5 square pyramids. In the third Cu site, Cu(3) is bonded to one O(2), one O(3), one O(5), one O(6), and one O(9) atom to form corner-sharing CuO5 square pyramids. In the fourth Cu site, Cu(4) is bonded in a T-shaped geometry to one O(10), one O(7), and one O(8) atom. In the fifth Cu site, Cu(5) is bonded in a square co-planar geometry to two equivalent O(10) and two equivalent O(9) atoms. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to one Ba(1), one Ba(3), one Y(1), one Y(2), one Cu(1), and one Cu(2) atom. In the second O site, O(2) is bonded in a 6-coordinate geometry to one Ba(2), one Ba(3), one Y(1), one Y(2), one Cu(2), and one Cu(3) atom. In the third O site, O(3) is bonded in a 6-coordinate geometry to one Ba(1), one Ba(2), two equivalent Y(2), one Cu(1), and one Cu(3) atom. In the fourth O site, O(4) is bonded in a 6-coordinate geometry to one Ba(1), one Ba(3), one Y(1), one Y(2), one Cu(1), and one Cu(2) atom. In the fifth O site, O(5) is bonded in a 6-coordinate geometry to one Ba(2), one Ba(3), one Y(1), one Y(2), one Cu(2), and one Cu(3) atom. In the sixth O site, O(6) is bonded in a 6-coordinate geometry to one Ba(1), one Ba(2), two equivalent Y(2), one Cu(1), and one Cu(3) atom. In the seventh O site, O(7) is bonded in a 6-coordinate geometry to one Ba(2), one Ba(3), two equivalent Ba(1), one Cu(1), and one Cu(4) atom. In the eighth O site, O(8) is bonded in a 6-coordinate geometry to one Ba(1), one Ba(2), two equivalent Ba(3), one Cu(2), and one Cu(4) atom. In the ninth O site, O(9) is bonded to one Ba(1), one Ba(3), two equivalent Ba(2), one Cu(3), and one Cu(5) atom to form distorted corner-sharing OBa4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-11°. In the tenth O site, O(10) is bonded in a distorted linear geometry to one Ba(1), one Ba(3), two equivalent Ba(2), one Cu(4), and one Cu(5) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba6Y3Cu9O20
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.508
_cell_length_b   8.660
_cell_length_c   12.465
_cell_angle_alpha   74.013
_cell_angle_beta   77.516
_cell_angle_gamma   72.680
_symmetry_Int_Tables_number   1
_cell_volume   539.873
_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  0.765  0.264  0.188  1.0
  Ba  Ba1  1  0.440  0.939  0.181  1.0
  Ba  Ba2  1  0.109  0.610  0.188  1.0
  Ba  Ba3  1  0.560  0.061  0.819  1.0
  Ba  Ba4  1  0.235  0.736  0.812  1.0
  Ba  Ba5  1  0.891  0.390  0.812  1.0
  Y  Y6  1  0.000  0.500  0.500  1.0
  Y  Y7  1  0.333  0.833  0.499  1.0
  Y  Y8  1  0.667  0.167  0.501  1.0
  Cu  Cu9  1  0.213  0.214  0.358  1.0
  Cu  Cu10  1  0.549  0.547  0.358  1.0
  Cu  Cu11  1  0.881  0.881  0.357  1.0
  Cu  Cu12  1  0.119  0.119  0.643  1.0
  Cu  Cu13  1  0.451  0.453  0.642  1.0
  Cu  Cu14  1  0.787  0.786  0.642  1.0
  Cu  Cu15  1  0.357  0.323  0.000  1.0
  Cu  Cu16  1  0.643  0.677  1.000  1.0
  Cu  Cu17  1  0.000  0.000  0.000  1.0
  O  O18  1  0.374  0.373  0.379  1.0
  O  O19  1  0.707  0.707  0.379  1.0
  O  O20  1  0.040  0.041  0.379  1.0
  O  O21  1  0.293  0.293  0.621  1.0
  O  O22  1  0.626  0.627  0.621  1.0
  O  O23  1  0.960  0.959  0.621  1.0
  O  O24  1  0.874  0.373  0.379  1.0
  O  O25  1  0.207  0.706  0.378  1.0
  O  O26  1  0.540  0.042  0.378  1.0
  O  O27  1  0.793  0.294  0.622  1.0
  O  O28  1  0.126  0.627  0.621  1.0
  O  O29  1  0.460  0.958  0.622  1.0
  O  O30  1  0.260  0.294  0.152  1.0
  O  O31  1  0.638  0.605  0.153  1.0
  O  O32  1  0.947  0.947  0.160  1.0
  O  O33  1  0.053  0.053  0.840  1.0
  O  O34  1  0.362  0.395  0.847  1.0
  O  O35  1  0.740  0.706  0.848  1.0
  O  O36  1  0.681  0.163  0.000  1.0
  O  O37  1  0.319  0.837  1.000  1.0
[/CIF]
.
The structure described by Ba6Y3Cu9O20 crystallizes in the triclinic P-1 space group. There are three inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 9-coordinate geometry to one O(1), one O(10), one O(3), one O(4), one O(6), one O(8), one O(9), and two equivalent O(7) atoms. In the second Ba site, Ba(2) is bonded in a 10-coordinate geometry to one O(2), one O(3), one O(5), one O(6), one O(7), one O(8), two equivalent O(10), and two equivalent O(9) atoms. In the third Ba site, Ba(3) is bonded in a 9-coordinate geometry to one O(1), one O(10), one O(2), one O(4), one O(5), one O(7), one O(9), and two equivalent O(8) atoms. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a body-centered cubic geometry to two equivalent O(1), two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms. In the second Y site, Y(2) is bonded in a body-centered cubic geometry to one O(1), one O(2), one O(4), one O(5), two equivalent O(3), and two equivalent O(6) atoms. There are five inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(1), one O(3), one O(4), one O(6), and one O(7) atom to form distorted corner-sharing CuO5 square pyramids. In the second Cu site, Cu(2) is bonded to one O(1), one O(2), one O(4), one O(5), and one O(8) atom to form distorted corner-sharing CuO5 square pyramids. In the third Cu site, Cu(3) is bonded to one O(2), one O(3), one O(5), one O(6), and one O(9) atom to form corner-sharing CuO5 square pyramids. In the fourth Cu site, Cu(4) is bonded in a T-shaped geometry to one O(10), one O(7), and one O(8) atom. In the fifth Cu site, Cu(5) is bonded in a square co-planar geometry to two equivalent O(10) and two equivalent O(9) atoms. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to one Ba(1), one Ba(3), one Y(1), one Y(2), one Cu(1), and one Cu(2) atom. In the second O site, O(2) is bonded in a 6-coordinate geometry to one Ba(2), one Ba(3), one Y(1), one Y(2), one Cu(2), and one Cu(3) atom. In the third O site, O(3) is bonded in a 6-coordinate geometry to one Ba(1), one Ba(2), two equivalent Y(2), one Cu(1), and one Cu(3) atom. In the fourth O site, O(4) is bonded in a 6-coordinate geometry to one Ba(1), one Ba(3), one Y(1), one Y(2), one Cu(1), and one Cu(2) atom. In the fifth O site, O(5) is bonded in a 6-coordinate geometry to one Ba(2), one Ba(3), one Y(1), one Y(2), one Cu(2), and one Cu(3) atom. In the sixth O site, O(6) is bonded in a 6-coordinate geometry to one Ba(1), one Ba(2), two equivalent Y(2), one Cu(1), and one Cu(3) atom. In the seventh O site, O(7) is bonded in a 6-coordinate geometry to one Ba(2), one Ba(3), two equivalent Ba(1), one Cu(1), and one Cu(4) atom. In the eighth O site, O(8) is bonded in a 6-coordinate geometry to one Ba(1), one Ba(2), two equivalent Ba(3), one Cu(2), and one Cu(4) atom. In the ninth O site, O(9) is bonded to one Ba(1), one Ba(3), two equivalent Ba(2), one Cu(3), and one Cu(5) atom to form distorted corner-sharing OBa4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-11°. In the tenth O site, O(10) is bonded in a distorted linear geometry to one Ba(1), one Ba(3), two equivalent Ba(2), one Cu(4), and one Cu(5) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba6Y3Cu9O20
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.508
_cell_length_b   8.660
_cell_length_c   12.465
_cell_angle_alpha   74.013
_cell_angle_beta   77.516
_cell_angle_gamma   72.680
_symmetry_Int_Tables_number   1
_cell_volume   539.873
_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  0.765  0.264  0.188  1.0
  Ba  Ba1  1  0.440  0.939  0.181  1.0
  Ba  Ba2  1  0.109  0.610  0.188  1.0
  Ba  Ba3  1  0.560  0.061  0.819  1.0
  Ba  Ba4  1  0.235  0.736  0.812  1.0
  Ba  Ba5  1  0.891  0.390  0.812  1.0
  Y  Y6  1  0.000  0.500  0.500  1.0
  Y  Y7  1  0.333  0.833  0.499  1.0
  Y  Y8  1  0.667  0.167  0.501  1.0
  Cu  Cu9  1  0.213  0.214  0.358  1.0
  Cu  Cu10  1  0.549  0.547  0.358  1.0
  Cu  Cu11  1  0.881  0.881  0.357  1.0
  Cu  Cu12  1  0.119  0.119  0.643  1.0
  Cu  Cu13  1  0.451  0.453  0.642  1.0
  Cu  Cu14  1  0.787  0.786  0.642  1.0
  Cu  Cu15  1  0.357  0.323  0.000  1.0
  Cu  Cu16  1  0.643  0.677  1.000  1.0
  Cu  Cu17  1  0.000  0.000  0.000  1.0
  O  O18  1  0.374  0.373  0.379  1.0
  O  O19  1  0.707  0.707  0.379  1.0
  O  O20  1  0.040  0.041  0.379  1.0
  O  O21  1  0.293  0.293  0.621  1.0
  O  O22  1  0.626  0.627  0.621  1.0
  O  O23  1  0.960  0.959  0.621  1.0
  O  O24  1  0.874  0.373  0.379  1.0
  O  O25  1  0.207  0.706  0.378  1.0
  O  O26  1  0.540  0.042  0.378  1.0
  O  O27  1  0.793  0.294  0.622  1.0
  O  O28  1  0.126  0.627  0.621  1.0
  O  O29  1  0.460  0.958  0.622  1.0
  O  O30  1  0.260  0.294  0.152  1.0
  O  O31  1  0.638  0.605  0.153  1.0
  O  O32  1  0.947  0.947  0.160  1.0
  O  O33  1  0.053  0.053  0.840  1.0
  O  O34  1  0.362  0.395  0.847  1.0
  O  O35  1  0.740  0.706  0.848  1.0
  O  O36  1  0.681  0.163  0.000  1.0
  O  O37  1  0.319  0.837  1.000  1.0
[/CIF]
.