The material structure described by Ba2YCu3PbO7 crystallizes in the monoclinic Cm space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), and four equivalent O(6) atoms. In the second Ba site, Ba(2) is bonded in a 9-coordinate geometry to one O(7), two equivalent O(3), two equivalent O(4), and four equivalent O(5) atoms. Y(1) is bonded in a body-centered cubic geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a linear geometry to one O(6) and one O(7) atom. In the second Cu site, Cu(2) is bonded to one O(6), two equivalent O(1), and two equivalent O(2) atoms to form distorted corner-sharing CuO5 square pyramids. In the third Cu site, Cu(3) is bonded in a distorted square co-planar geometry to one O(5), two equivalent O(3), and two equivalent O(4) atoms. Pb(1) is bonded in a 3-coordinate geometry to one O(5) and two equivalent O(7) atoms. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to two equivalent Ba(1), two equivalent Y(1), and two equivalent Cu(2) atoms. In the second O site, O(2) is bonded in a 6-coordinate geometry to two equivalent Ba(1), two equivalent Y(1), and two equivalent Cu(2) atoms. In the third O site, O(3) is bonded in a 6-coordinate geometry to two equivalent Ba(2), two equivalent Y(1), and two equivalent Cu(3) atoms. In the fourth O site, O(4) is bonded in a 6-coordinate geometry to two equivalent Ba(2), two equivalent Y(1), and two equivalent Cu(3) atoms. In the fifth O site, O(5) is bonded in a 6-coordinate geometry to four equivalent Ba(2), one Cu(3), and one Pb(1) atom. In the sixth O site, O(6) is bonded in a 6-coordinate geometry to four equivalent Ba(1), one Cu(1), and one Cu(2) atom. In the seventh O site, O(7) is bonded in a distorted see-saw-like geometry to one Ba(2), one Cu(1), and two equivalent Pb(1) atoms. is represented by the CIF file [CIF]
data_Ba2YCu3PbO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.535
_cell_length_b   14.535
_cell_length_c   3.905
_cell_angle_alpha   83.014
_cell_angle_beta   83.014
_cell_angle_gamma   15.357
_symmetry_Int_Tables_number   1
_cell_volume   216.822
_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  0.430  0.430  0.570  1.0
  Ba  Ba1  1  0.689  0.689  0.319  1.0
  Y  Y2  1  0.559  0.559  0.441  1.0
  Cu  Cu3  1  0.848  0.848  0.182  1.0
  Cu  Cu4  1  0.001  0.001  0.998  1.0
  Cu  Cu5  1  0.116  0.116  0.885  1.0
  Pb  Pb6  1  0.287  0.287  0.715  1.0
  O  O7  1  0.008  0.008  0.492  1.0
  O  O8  1  0.508  0.508  0.991  1.0
  O  O9  1  0.109  0.109  0.391  1.0
  O  O10  1  0.609  0.609  0.891  1.0
  O  O11  1  0.209  0.209  0.803  1.0
  O  O12  1  0.911  0.911  0.073  1.0
  O  O13  1  0.784  0.784  0.332  1.0
[/CIF]
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The material structure described by Ba2YCu3PbO7 crystallizes in the monoclinic Cm space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), and four equivalent O(6) atoms. In the second Ba site, Ba(2) is bonded in a 9-coordinate geometry to one O(7), two equivalent O(3), two equivalent O(4), and four equivalent O(5) atoms. Y(1) is bonded in a body-centered cubic geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a linear geometry to one O(6) and one O(7) atom. In the second Cu site, Cu(2) is bonded to one O(6), two equivalent O(1), and two equivalent O(2) atoms to form distorted corner-sharing CuO5 square pyramids. In the third Cu site, Cu(3) is bonded in a distorted square co-planar geometry to one O(5), two equivalent O(3), and two equivalent O(4) atoms. Pb(1) is bonded in a 3-coordinate geometry to one O(5) and two equivalent O(7) atoms. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to two equivalent Ba(1), two equivalent Y(1), and two equivalent Cu(2) atoms. In the second O site, O(2) is bonded in a 6-coordinate geometry to two equivalent Ba(1), two equivalent Y(1), and two equivalent Cu(2) atoms. In the third O site, O(3) is bonded in a 6-coordinate geometry to two equivalent Ba(2), two equivalent Y(1), and two equivalent Cu(3) atoms. In the fourth O site, O(4) is bonded in a 6-coordinate geometry to two equivalent Ba(2), two equivalent Y(1), and two equivalent Cu(3) atoms. In the fifth O site, O(5) is bonded in a 6-coordinate geometry to four equivalent Ba(2), one Cu(3), and one Pb(1) atom. In the sixth O site, O(6) is bonded in a 6-coordinate geometry to four equivalent Ba(1), one Cu(1), and one Cu(2) atom. In the seventh O site, O(7) is bonded in a distorted see-saw-like geometry to one Ba(2), one Cu(1), and two equivalent Pb(1) atoms. is represented by the CIF file [CIF]
data_Ba2YCu3PbO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.535
_cell_length_b   14.535
_cell_length_c   3.905
_cell_angle_alpha   83.014
_cell_angle_beta   83.014
_cell_angle_gamma   15.357
_symmetry_Int_Tables_number   1
_cell_volume   216.822
_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  0.430  0.430  0.570  1.0
  Ba  Ba1  1  0.689  0.689  0.319  1.0
  Y  Y2  1  0.559  0.559  0.441  1.0
  Cu  Cu3  1  0.848  0.848  0.182  1.0
  Cu  Cu4  1  0.001  0.001  0.998  1.0
  Cu  Cu5  1  0.116  0.116  0.885  1.0
  Pb  Pb6  1  0.287  0.287  0.715  1.0
  O  O7  1  0.008  0.008  0.492  1.0
  O  O8  1  0.508  0.508  0.991  1.0
  O  O9  1  0.109  0.109  0.391  1.0
  O  O10  1  0.609  0.609  0.891  1.0
  O  O11  1  0.209  0.209  0.803  1.0
  O  O12  1  0.911  0.911  0.073  1.0
  O  O13  1  0.784  0.784  0.332  1.0
[/CIF]
.