The material structure described by Ba6Pr2Y(CuO2)12 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 10-coordinate geometry to one O(10); one O(12); one O(5); one O(6); one O(7); one O(8); two equivalent O(1,2); and two equivalent O(4) atoms. In the second Ba site, Ba(2) is bonded in a 10-coordinate geometry to one O(1,2); one O(11); one O(12); one O(3); one O(4); one O(5); one O(8); one O(9); and two equivalent O(6) atoms. In the third Ba site, Ba(3) is bonded in a 10-coordinate geometry to one O(1,2); one O(10); one O(11); one O(3); one O(4); one O(6); one O(7); one O(9); and two equivalent O(5) atoms. Pr(1) is bonded in a body-centered cubic geometry to one O(10), one O(12), one O(7), one O(8), two equivalent O(11), and two equivalent O(9) atoms. Y(1) is bonded in a body-centered cubic geometry to two equivalent O(10), two equivalent O(12), two equivalent O(7), and two equivalent O(8) atoms. There are six inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a square co-planar geometry to one O(4) and three equivalent O(1,2) atoms. In the second Cu site, Cu(2) is bonded in a square co-planar geometry to one O(3); one O(5); and two equivalent O(1,2) atoms. In the third Cu site, Cu(3) is bonded in a square co-planar geometry to one O(1,2); one O(6); and two equivalent O(3) atoms. In the fourth Cu site, Cu(4) is bonded to one O(10), one O(12), one O(4), one O(7), and one O(8) atom to form corner-sharing CuO5 square pyramids. In the fifth Cu site, Cu(5) is bonded to one O(10), one O(11), one O(5), one O(7), and one O(9) atom to form corner-sharing CuO5 square pyramids. In the sixth Cu site, Cu(6) is bonded to one O(11), one O(12), one O(6), one O(8), and one O(9) atom to form corner-sharing CuO5 square pyramids. There are eleven inequivalent O sites. In the first O site, O(1,2) is bonded in a distorted T-shaped geometry to one Ba(1), one Ba(3), one Cu(2), and two equivalent Cu(1) atoms. In the second O site, O(3) is bonded in a distorted T-shaped geometry to one Ba(2), one Ba(3), one Cu(2), and two equivalent Cu(3) atoms. In the third O site, O(4) is bonded to one Ba(2), one Ba(3), two equivalent Ba(1), one Cu(1), and one Cu(4) atom to form a mixture of distorted corner and edge-sharing OBa4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 10-11°. In the fourth O site, O(5) is bonded to one Ba(1), one Ba(2), two equivalent Ba(3), one Cu(2), and one Cu(5) atom to form a mixture of distorted corner and edge-sharing OBa4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 10-11°. In the fifth O site, O(6) is bonded to one Ba(1), one Ba(3), two equivalent Ba(2), one Cu(3), and one Cu(6) atom to form a mixture of distorted corner and edge-sharing OBa4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 10-11°. In the sixth O site, O(7) is bonded in a 6-coordinate geometry to one Ba(1), one Ba(3), one Pr(1), one Y(1), one Cu(4), and one Cu(5) atom. In the seventh O site, O(8) is bonded in a 6-coordinate geometry to one Ba(1), one Ba(2), one Pr(1), one Y(1), one Cu(4), and one Cu(6) atom. In the eighth O site, O(9) is bonded in a 6-coordinate geometry to one Ba(2), one Ba(3), two equivalent Pr(1), one Cu(5), and one Cu(6) atom. In the ninth O site, O(10) is bonded in a 6-coordinate geometry to one Ba(1), one Ba(3), one Pr(1), one Y(1), one Cu(4), and one Cu(5) atom. In the tenth O site, O(11) is bonded in a 6-coordinate geometry to one Ba(2), one Ba(3), two equivalent Pr(1), one Cu(5), and one Cu(6) atom. In the eleventh O site, O(12) is bonded in a 6-coordinate geometry to one Ba(1), one Ba(2), one Pr(1), one Y(1), one Cu(4), and one Cu(6) atom. is represented by the CIF card [CIF]
data_Ba6Pr2Y(CuO2)12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.532
_cell_length_b   8.712
_cell_length_c   13.940
_cell_angle_alpha   82.855
_cell_angle_beta   84.370
_cell_angle_gamma   71.895
_symmetry_Int_Tables_number   1
_cell_volume   632.382
_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  0.955  0.455  0.272  1.0
  Ba  Ba1  1  0.621  0.121  0.273  1.0
  Ba  Ba2  1  0.288  0.788  0.273  1.0
  Ba  Ba3  1  0.712  0.212  0.727  1.0
  Ba  Ba4  1  0.379  0.879  0.727  1.0
  Ba  Ba5  1  0.045  0.545  0.728  1.0
  Pr  Pr6  1  0.334  0.832  0.000  1.0
  Pr  Pr7  1  0.666  0.168  1.000  1.0
  Y  Y8  1  0.000  0.500  0.000  1.0
  Cu  Cu9  1  0.571  0.571  0.576  1.0
  Cu  Cu10  1  0.238  0.238  0.576  1.0
  Cu  Cu11  1  0.904  0.904  0.576  1.0
  Cu  Cu12  1  0.429  0.429  0.424  1.0
  Cu  Cu13  1  0.096  0.096  0.424  1.0
  Cu  Cu14  1  0.762  0.762  0.424  1.0
  Cu  Cu15  1  0.521  0.521  0.873  1.0
  Cu  Cu16  1  0.187  0.189  0.872  1.0
  Cu  Cu17  1  0.855  0.853  0.872  1.0
  Cu  Cu18  1  0.479  0.479  0.127  1.0
  Cu  Cu19  1  0.145  0.147  0.128  1.0
  Cu  Cu20  1  0.813  0.811  0.128  1.0
  O  O21  1  0.593  0.594  0.438  1.0
  O  O22  1  0.261  0.260  0.438  1.0
  O  O23  1  0.927  0.927  0.438  1.0
  O  O24  1  0.407  0.406  0.562  1.0
  O  O25  1  0.073  0.073  0.562  1.0
  O  O26  1  0.739  0.740  0.562  1.0
  O  O27  1  0.549  0.549  0.710  1.0
  O  O28  1  0.216  0.215  0.709  1.0
  O  O29  1  0.882  0.882  0.709  1.0
  O  O30  1  0.451  0.451  0.290  1.0
  O  O31  1  0.118  0.118  0.291  1.0
  O  O32  1  0.784  0.785  0.291  1.0
  O  O33  1  0.657  0.644  0.107  1.0
  O  O34  1  0.307  0.320  0.107  1.0
  O  O35  1  0.982  0.982  0.111  1.0
  O  O36  1  0.343  0.356  0.893  1.0
  O  O37  1  0.018  0.018  0.889  1.0
  O  O38  1  0.693  0.680  0.893  1.0
  O  O39  1  0.855  0.355  0.891  1.0
  O  O40  1  0.519  0.019  0.887  1.0
  O  O41  1  0.182  0.681  0.891  1.0
  O  O42  1  0.818  0.319  0.109  1.0
  O  O43  1  0.481  0.981  0.113  1.0
  O  O44  1  0.145  0.645  0.109  1.0
[/CIF]
.
The material structure described by Ba6Pr2Y(CuO2)12 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 10-coordinate geometry to one O(10); one O(12); one O(5); one O(6); one O(7); one O(8); two equivalent O(1,2); and two equivalent O(4) atoms. In the second Ba site, Ba(2) is bonded in a 10-coordinate geometry to one O(1,2); one O(11); one O(12); one O(3); one O(4); one O(5); one O(8); one O(9); and two equivalent O(6) atoms. In the third Ba site, Ba(3) is bonded in a 10-coordinate geometry to one O(1,2); one O(10); one O(11); one O(3); one O(4); one O(6); one O(7); one O(9); and two equivalent O(5) atoms. Pr(1) is bonded in a body-centered cubic geometry to one O(10), one O(12), one O(7), one O(8), two equivalent O(11), and two equivalent O(9) atoms. Y(1) is bonded in a body-centered cubic geometry to two equivalent O(10), two equivalent O(12), two equivalent O(7), and two equivalent O(8) atoms. There are six inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a square co-planar geometry to one O(4) and three equivalent O(1,2) atoms. In the second Cu site, Cu(2) is bonded in a square co-planar geometry to one O(3); one O(5); and two equivalent O(1,2) atoms. In the third Cu site, Cu(3) is bonded in a square co-planar geometry to one O(1,2); one O(6); and two equivalent O(3) atoms. In the fourth Cu site, Cu(4) is bonded to one O(10), one O(12), one O(4), one O(7), and one O(8) atom to form corner-sharing CuO5 square pyramids. In the fifth Cu site, Cu(5) is bonded to one O(10), one O(11), one O(5), one O(7), and one O(9) atom to form corner-sharing CuO5 square pyramids. In the sixth Cu site, Cu(6) is bonded to one O(11), one O(12), one O(6), one O(8), and one O(9) atom to form corner-sharing CuO5 square pyramids. There are eleven inequivalent O sites. In the first O site, O(1,2) is bonded in a distorted T-shaped geometry to one Ba(1), one Ba(3), one Cu(2), and two equivalent Cu(1) atoms. In the second O site, O(3) is bonded in a distorted T-shaped geometry to one Ba(2), one Ba(3), one Cu(2), and two equivalent Cu(3) atoms. In the third O site, O(4) is bonded to one Ba(2), one Ba(3), two equivalent Ba(1), one Cu(1), and one Cu(4) atom to form a mixture of distorted corner and edge-sharing OBa4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 10-11°. In the fourth O site, O(5) is bonded to one Ba(1), one Ba(2), two equivalent Ba(3), one Cu(2), and one Cu(5) atom to form a mixture of distorted corner and edge-sharing OBa4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 10-11°. In the fifth O site, O(6) is bonded to one Ba(1), one Ba(3), two equivalent Ba(2), one Cu(3), and one Cu(6) atom to form a mixture of distorted corner and edge-sharing OBa4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 10-11°. In the sixth O site, O(7) is bonded in a 6-coordinate geometry to one Ba(1), one Ba(3), one Pr(1), one Y(1), one Cu(4), and one Cu(5) atom. In the seventh O site, O(8) is bonded in a 6-coordinate geometry to one Ba(1), one Ba(2), one Pr(1), one Y(1), one Cu(4), and one Cu(6) atom. In the eighth O site, O(9) is bonded in a 6-coordinate geometry to one Ba(2), one Ba(3), two equivalent Pr(1), one Cu(5), and one Cu(6) atom. In the ninth O site, O(10) is bonded in a 6-coordinate geometry to one Ba(1), one Ba(3), one Pr(1), one Y(1), one Cu(4), and one Cu(5) atom. In the tenth O site, O(11) is bonded in a 6-coordinate geometry to one Ba(2), one Ba(3), two equivalent Pr(1), one Cu(5), and one Cu(6) atom. In the eleventh O site, O(12) is bonded in a 6-coordinate geometry to one Ba(1), one Ba(2), one Pr(1), one Y(1), one Cu(4), and one Cu(6) atom. is represented by the CIF card [CIF]
data_Ba6Pr2Y(CuO2)12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.532
_cell_length_b   8.712
_cell_length_c   13.940
_cell_angle_alpha   82.855
_cell_angle_beta   84.370
_cell_angle_gamma   71.895
_symmetry_Int_Tables_number   1
_cell_volume   632.382
_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  0.955  0.455  0.272  1.0
  Ba  Ba1  1  0.621  0.121  0.273  1.0
  Ba  Ba2  1  0.288  0.788  0.273  1.0
  Ba  Ba3  1  0.712  0.212  0.727  1.0
  Ba  Ba4  1  0.379  0.879  0.727  1.0
  Ba  Ba5  1  0.045  0.545  0.728  1.0
  Pr  Pr6  1  0.334  0.832  0.000  1.0
  Pr  Pr7  1  0.666  0.168  1.000  1.0
  Y  Y8  1  0.000  0.500  0.000  1.0
  Cu  Cu9  1  0.571  0.571  0.576  1.0
  Cu  Cu10  1  0.238  0.238  0.576  1.0
  Cu  Cu11  1  0.904  0.904  0.576  1.0
  Cu  Cu12  1  0.429  0.429  0.424  1.0
  Cu  Cu13  1  0.096  0.096  0.424  1.0
  Cu  Cu14  1  0.762  0.762  0.424  1.0
  Cu  Cu15  1  0.521  0.521  0.873  1.0
  Cu  Cu16  1  0.187  0.189  0.872  1.0
  Cu  Cu17  1  0.855  0.853  0.872  1.0
  Cu  Cu18  1  0.479  0.479  0.127  1.0
  Cu  Cu19  1  0.145  0.147  0.128  1.0
  Cu  Cu20  1  0.813  0.811  0.128  1.0
  O  O21  1  0.593  0.594  0.438  1.0
  O  O22  1  0.261  0.260  0.438  1.0
  O  O23  1  0.927  0.927  0.438  1.0
  O  O24  1  0.407  0.406  0.562  1.0
  O  O25  1  0.073  0.073  0.562  1.0
  O  O26  1  0.739  0.740  0.562  1.0
  O  O27  1  0.549  0.549  0.710  1.0
  O  O28  1  0.216  0.215  0.709  1.0
  O  O29  1  0.882  0.882  0.709  1.0
  O  O30  1  0.451  0.451  0.290  1.0
  O  O31  1  0.118  0.118  0.291  1.0
  O  O32  1  0.784  0.785  0.291  1.0
  O  O33  1  0.657  0.644  0.107  1.0
  O  O34  1  0.307  0.320  0.107  1.0
  O  O35  1  0.982  0.982  0.111  1.0
  O  O36  1  0.343  0.356  0.893  1.0
  O  O37  1  0.018  0.018  0.889  1.0
  O  O38  1  0.693  0.680  0.893  1.0
  O  O39  1  0.855  0.355  0.891  1.0
  O  O40  1  0.519  0.019  0.887  1.0
  O  O41  1  0.182  0.681  0.891  1.0
  O  O42  1  0.818  0.319  0.109  1.0
  O  O43  1  0.481  0.981  0.113  1.0
  O  O44  1  0.145  0.645  0.109  1.0
[/CIF]
.