The material described by Ba3SrY8(CuO5)4 crystallizes in the monoclinic Pm space group. There are three inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 11-coordinate geometry to one O(2), two equivalent O(11), two equivalent O(4), two equivalent O(5), two equivalent O(8), and two equivalent O(9) atoms. In the second Ba site, Ba(2) is bonded in a 11-coordinate geometry to one O(3), two equivalent O(1), two equivalent O(10), two equivalent O(12), two equivalent O(5), and two equivalent O(8) atoms. In the third Ba site, Ba(3) is bonded in a 11-coordinate geometry to one O(4), two equivalent O(11), two equivalent O(2), two equivalent O(6), two equivalent O(7), and two equivalent O(9) atoms. Sr(1) is bonded in a 9-coordinate geometry to one O(1), two equivalent O(12), two equivalent O(3), two equivalent O(6), and two equivalent O(7) atoms. There are eight inequivalent Y sites. In the first Y site, Y(1) is bonded to one O(1), two equivalent O(10), two equivalent O(12), and two equivalent O(5) atoms to form distorted YO7 pentagonal bipyramids that share  a cornercorner with one Cu(2)O5 square pyramid, corners with two equivalent Cu(3)O5 square pyramids, corners with two equivalent Cu(4)O5 square pyramids, edges with two equivalent Y(3)O7 pentagonal bipyramids, and  an edgeedge with one Cu(2)O5 square pyramid. In the second Y site, Y(2) is bonded to one O(2), two equivalent O(11), two equivalent O(6), and two equivalent O(9) atoms to form distorted YO7 pentagonal bipyramids that share  a cornercorner with one Cu(1)O5 square pyramid, corners with two equivalent Cu(3)O5 square pyramids, corners with two equivalent Cu(4)O5 square pyramids, edges with two equivalent Y(4)O7 pentagonal bipyramids, edges with two equivalent Y(7)O7 pentagonal bipyramids, and  an edgeedge with one Cu(1)O5 square pyramid. In the third Y site, Y(3) is bonded to one O(3), two equivalent O(10), two equivalent O(12), and two equivalent O(7) atoms to form distorted YO7 pentagonal bipyramids that share  a cornercorner with one Cu(4)O5 square pyramid, corners with two equivalent Cu(1)O5 square pyramids, corners with two equivalent Cu(2)O5 square pyramids, edges with two equivalent Y(1)O7 pentagonal bipyramids,  an edgeedge with one Cu(4)O5 square pyramid, and  a faceface with one Y(7)O7 pentagonal bipyramid. In the fourth Y site, Y(4) is bonded to one O(4), two equivalent O(11), two equivalent O(8), and two equivalent O(9) atoms to form distorted YO7 pentagonal bipyramids that share  a cornercorner with one Cu(3)O5 square pyramid, corners with two equivalent Cu(1)O5 square pyramids, corners with two equivalent Cu(2)O5 square pyramids,  an edgeedge with one Y(7)O7 pentagonal bipyramid, edges with two equivalent Y(2)O7 pentagonal bipyramids, and  an edgeedge with one Cu(3)O5 square pyramid. In the fifth Y site, Y(5) is bonded in a 7-coordinate geometry to one O(1), two equivalent O(5), two equivalent O(8), and two equivalent O(9) atoms. In the sixth Y site, Y(6) is bonded in a 7-coordinate geometry to one O(2), two equivalent O(10), two equivalent O(6), and two equivalent O(7) atoms. In the seventh Y site, Y(7) is bonded to one O(3), two equivalent O(11), two equivalent O(6), and two equivalent O(7) atoms to form distorted YO7 pentagonal bipyramids that share  an edgeedge with one Y(4)O7 pentagonal bipyramid, edges with two equivalent Y(2)O7 pentagonal bipyramids, edges with two equivalent Cu(1)O5 square pyramids,  a faceface with one Y(3)O7 pentagonal bipyramid, and  a faceface with one Cu(4)O5 square pyramid. In the eighth Y site, Y(8) is bonded in a 7-coordinate geometry to one O(4), two equivalent O(12), two equivalent O(5), and two equivalent O(8) atoms. There are four inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(2), two equivalent O(11), and two equivalent O(7) atoms to form distorted CuO5 square pyramids that share  a cornercorner with one Y(2)O7 pentagonal bipyramid, corners with two equivalent Y(3)O7 pentagonal bipyramids, corners with two equivalent Y(4)O7 pentagonal bipyramids,  an edgeedge with one Y(2)O7 pentagonal bipyramid, and edges with two equivalent Y(7)O7 pentagonal bipyramids. In the second Cu site, Cu(2) is bonded to one O(1), two equivalent O(12), and two equivalent O(8) atoms to form CuO5 square pyramids that share  a cornercorner with one Y(1)O7 pentagonal bipyramid, corners with two equivalent Y(3)O7 pentagonal bipyramids, corners with two equivalent Y(4)O7 pentagonal bipyramids, and  an edgeedge with one Y(1)O7 pentagonal bipyramid. In the third Cu site, Cu(3) is bonded to one O(4), two equivalent O(5), and two equivalent O(9) atoms to form distorted CuO5 square pyramids that share  a cornercorner with one Y(4)O7 pentagonal bipyramid, corners with two equivalent Y(1)O7 pentagonal bipyramids, corners with two equivalent Y(2)O7 pentagonal bipyramids, and  an edgeedge with one Y(4)O7 pentagonal bipyramid. In the fourth Cu site, Cu(4) is bonded to one O(3), two equivalent O(10), and two equivalent O(6) atoms to form distorted CuO5 square pyramids that share  a cornercorner with one Y(3)O7 pentagonal bipyramid, corners with two equivalent Y(1)O7 pentagonal bipyramids, corners with two equivalent Y(2)O7 pentagonal bipyramids,  an edgeedge with one Y(3)O7 pentagonal bipyramid, and  a faceface with one Y(7)O7 pentagonal bipyramid. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Ba(2), one Sr(1), one Y(1), one Y(5), and one Cu(2) atom to form OBa2SrY2Cu octahedra that share corners with two equivalent O(1)Ba2SrY2Cu octahedra and edges with two equivalent O(3)BaSr2Y2Cu octahedra. The corner-sharing octahedral tilt angles are 3°. In the second O site, O(2) is bonded to one Ba(1), two equivalent Ba(3), one Y(2), one Y(6), and one Cu(1) atom to form a mixture of corner and edge-sharing OBa3Y2Cu octahedra. The corner-sharing octahedral tilt angles are 5°. In the third O site, O(3) is bonded to one Ba(2), two equivalent Sr(1), one Y(3), one Y(7), and one Cu(4) atom to form OBaSr2Y2Cu octahedra that share corners with two equivalent O(3)BaSr2Y2Cu octahedra and edges with two equivalent O(1)Ba2SrY2Cu octahedra. The corner-sharing octahedral tilt angles are 4°. In the fourth O site, O(4) is bonded to one Ba(3), two equivalent Ba(1), one Y(4), one Y(8), and one Cu(3) atom to form a mixture of corner and edge-sharing OBa3Y2Cu octahedra. The corner-sharing octahedral tilt angles are 5°. In the fifth O site, O(5) is bonded in a 6-coordinate geometry to one Ba(1), one Ba(2), one Y(1), one Y(5), one Y(8), and one Cu(3) atom. In the sixth O site, O(6) is bonded in a 6-coordinate geometry to one Ba(3), one Sr(1), one Y(2), one Y(6), one Y(7), and one Cu(4) atom. In the seventh O site, O(7) is bonded in a 6-coordinate geometry to one Ba(3), one Sr(1), one Y(3), one Y(6), one Y(7), and one Cu(1) atom. In the eighth O site, O(8) is bonded in a 6-coordinate geometry to one Ba(1), one Ba(2), one Y(4), one Y(5), one Y(8), and one Cu(2) atom. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(3), one Y(2), one Y(4), one Y(5), and one Cu(3) atom. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one Ba(2), one Y(1), one Y(3), one Y(6), and one Cu(4) atom. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(3), one Y(2), one Y(4), one Y(7), and one Cu(1) atom. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one Ba(2), one Sr(1), one Y(1), one Y(3), one Y(8), and one Cu(2) atom. is represented by the CIF card [CIF]
data_Ba3SrY8(CuO5)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.696
_cell_length_b   7.236
_cell_length_c   12.221
_cell_angle_alpha   89.885
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   503.703
_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  0.070  0.095  1.0
  Ba  Ba1  1  0.500  0.569  0.406  1.0
  Ba  Ba2  1  0.500  0.931  0.905  1.0
  Sr  Sr3  1  0.000  0.426  0.592  1.0
  Y  Y4  1  0.000  0.895  0.427  1.0
  Y  Y5  1  0.000  0.603  0.925  1.0
  Y  Y6  1  0.500  0.106  0.574  1.0
  Y  Y7  1  0.500  0.396  0.074  1.0
  Y  Y8  1  0.000  0.613  0.214  1.0
  Y  Y9  1  0.000  0.886  0.712  1.0
  Y  Y10  1  0.500  0.388  0.786  1.0
  Y  Y11  1  0.500  0.113  0.288  1.0
  Cu  Cu12  1  0.000  0.221  0.837  1.0
  Cu  Cu13  1  0.000  0.282  0.340  1.0
  Cu  Cu14  1  0.500  0.781  0.162  1.0
  Cu  Cu15  1  0.500  0.718  0.660  1.0
  O  O16  1  0.000  0.578  0.407  1.0
  O  O17  1  0.000  0.916  0.899  1.0
  O  O18  1  0.500  0.419  0.598  1.0
  O  O19  1  0.500  0.083  0.100  1.0
  O  O20  1  0.747  0.854  0.273  1.0
  O  O21  1  0.252  0.643  0.770  1.0
  O  O22  1  0.243  0.150  0.725  1.0
  O  O23  1  0.754  0.355  0.228  1.0
  O  O24  1  0.757  0.150  0.725  1.0
  O  O25  1  0.246  0.355  0.228  1.0
  O  O26  1  0.253  0.854  0.273  1.0
  O  O27  1  0.748  0.643  0.770  1.0
  O  O28  1  0.256  0.663  0.068  1.0
  O  O29  1  0.743  0.838  0.568  1.0
  O  O30  1  0.756  0.337  0.932  1.0
  O  O31  1  0.243  0.164  0.433  1.0
  O  O32  1  0.244  0.337  0.932  1.0
  O  O33  1  0.757  0.164  0.433  1.0
  O  O34  1  0.744  0.663  0.068  1.0
  O  O35  1  0.257  0.838  0.568  1.0
[/CIF]
.
The material described by Ba3SrY8(CuO5)4 crystallizes in the monoclinic Pm space group. There are three inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 11-coordinate geometry to one O(2), two equivalent O(11), two equivalent O(4), two equivalent O(5), two equivalent O(8), and two equivalent O(9) atoms. In the second Ba site, Ba(2) is bonded in a 11-coordinate geometry to one O(3), two equivalent O(1), two equivalent O(10), two equivalent O(12), two equivalent O(5), and two equivalent O(8) atoms. In the third Ba site, Ba(3) is bonded in a 11-coordinate geometry to one O(4), two equivalent O(11), two equivalent O(2), two equivalent O(6), two equivalent O(7), and two equivalent O(9) atoms. Sr(1) is bonded in a 9-coordinate geometry to one O(1), two equivalent O(12), two equivalent O(3), two equivalent O(6), and two equivalent O(7) atoms. There are eight inequivalent Y sites. In the first Y site, Y(1) is bonded to one O(1), two equivalent O(10), two equivalent O(12), and two equivalent O(5) atoms to form distorted YO7 pentagonal bipyramids that share  a cornercorner with one Cu(2)O5 square pyramid, corners with two equivalent Cu(3)O5 square pyramids, corners with two equivalent Cu(4)O5 square pyramids, edges with two equivalent Y(3)O7 pentagonal bipyramids, and  an edgeedge with one Cu(2)O5 square pyramid. In the second Y site, Y(2) is bonded to one O(2), two equivalent O(11), two equivalent O(6), and two equivalent O(9) atoms to form distorted YO7 pentagonal bipyramids that share  a cornercorner with one Cu(1)O5 square pyramid, corners with two equivalent Cu(3)O5 square pyramids, corners with two equivalent Cu(4)O5 square pyramids, edges with two equivalent Y(4)O7 pentagonal bipyramids, edges with two equivalent Y(7)O7 pentagonal bipyramids, and  an edgeedge with one Cu(1)O5 square pyramid. In the third Y site, Y(3) is bonded to one O(3), two equivalent O(10), two equivalent O(12), and two equivalent O(7) atoms to form distorted YO7 pentagonal bipyramids that share  a cornercorner with one Cu(4)O5 square pyramid, corners with two equivalent Cu(1)O5 square pyramids, corners with two equivalent Cu(2)O5 square pyramids, edges with two equivalent Y(1)O7 pentagonal bipyramids,  an edgeedge with one Cu(4)O5 square pyramid, and  a faceface with one Y(7)O7 pentagonal bipyramid. In the fourth Y site, Y(4) is bonded to one O(4), two equivalent O(11), two equivalent O(8), and two equivalent O(9) atoms to form distorted YO7 pentagonal bipyramids that share  a cornercorner with one Cu(3)O5 square pyramid, corners with two equivalent Cu(1)O5 square pyramids, corners with two equivalent Cu(2)O5 square pyramids,  an edgeedge with one Y(7)O7 pentagonal bipyramid, edges with two equivalent Y(2)O7 pentagonal bipyramids, and  an edgeedge with one Cu(3)O5 square pyramid. In the fifth Y site, Y(5) is bonded in a 7-coordinate geometry to one O(1), two equivalent O(5), two equivalent O(8), and two equivalent O(9) atoms. In the sixth Y site, Y(6) is bonded in a 7-coordinate geometry to one O(2), two equivalent O(10), two equivalent O(6), and two equivalent O(7) atoms. In the seventh Y site, Y(7) is bonded to one O(3), two equivalent O(11), two equivalent O(6), and two equivalent O(7) atoms to form distorted YO7 pentagonal bipyramids that share  an edgeedge with one Y(4)O7 pentagonal bipyramid, edges with two equivalent Y(2)O7 pentagonal bipyramids, edges with two equivalent Cu(1)O5 square pyramids,  a faceface with one Y(3)O7 pentagonal bipyramid, and  a faceface with one Cu(4)O5 square pyramid. In the eighth Y site, Y(8) is bonded in a 7-coordinate geometry to one O(4), two equivalent O(12), two equivalent O(5), and two equivalent O(8) atoms. There are four inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(2), two equivalent O(11), and two equivalent O(7) atoms to form distorted CuO5 square pyramids that share  a cornercorner with one Y(2)O7 pentagonal bipyramid, corners with two equivalent Y(3)O7 pentagonal bipyramids, corners with two equivalent Y(4)O7 pentagonal bipyramids,  an edgeedge with one Y(2)O7 pentagonal bipyramid, and edges with two equivalent Y(7)O7 pentagonal bipyramids. In the second Cu site, Cu(2) is bonded to one O(1), two equivalent O(12), and two equivalent O(8) atoms to form CuO5 square pyramids that share  a cornercorner with one Y(1)O7 pentagonal bipyramid, corners with two equivalent Y(3)O7 pentagonal bipyramids, corners with two equivalent Y(4)O7 pentagonal bipyramids, and  an edgeedge with one Y(1)O7 pentagonal bipyramid. In the third Cu site, Cu(3) is bonded to one O(4), two equivalent O(5), and two equivalent O(9) atoms to form distorted CuO5 square pyramids that share  a cornercorner with one Y(4)O7 pentagonal bipyramid, corners with two equivalent Y(1)O7 pentagonal bipyramids, corners with two equivalent Y(2)O7 pentagonal bipyramids, and  an edgeedge with one Y(4)O7 pentagonal bipyramid. In the fourth Cu site, Cu(4) is bonded to one O(3), two equivalent O(10), and two equivalent O(6) atoms to form distorted CuO5 square pyramids that share  a cornercorner with one Y(3)O7 pentagonal bipyramid, corners with two equivalent Y(1)O7 pentagonal bipyramids, corners with two equivalent Y(2)O7 pentagonal bipyramids,  an edgeedge with one Y(3)O7 pentagonal bipyramid, and  a faceface with one Y(7)O7 pentagonal bipyramid. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Ba(2), one Sr(1), one Y(1), one Y(5), and one Cu(2) atom to form OBa2SrY2Cu octahedra that share corners with two equivalent O(1)Ba2SrY2Cu octahedra and edges with two equivalent O(3)BaSr2Y2Cu octahedra. The corner-sharing octahedral tilt angles are 3°. In the second O site, O(2) is bonded to one Ba(1), two equivalent Ba(3), one Y(2), one Y(6), and one Cu(1) atom to form a mixture of corner and edge-sharing OBa3Y2Cu octahedra. The corner-sharing octahedral tilt angles are 5°. In the third O site, O(3) is bonded to one Ba(2), two equivalent Sr(1), one Y(3), one Y(7), and one Cu(4) atom to form OBaSr2Y2Cu octahedra that share corners with two equivalent O(3)BaSr2Y2Cu octahedra and edges with two equivalent O(1)Ba2SrY2Cu octahedra. The corner-sharing octahedral tilt angles are 4°. In the fourth O site, O(4) is bonded to one Ba(3), two equivalent Ba(1), one Y(4), one Y(8), and one Cu(3) atom to form a mixture of corner and edge-sharing OBa3Y2Cu octahedra. The corner-sharing octahedral tilt angles are 5°. In the fifth O site, O(5) is bonded in a 6-coordinate geometry to one Ba(1), one Ba(2), one Y(1), one Y(5), one Y(8), and one Cu(3) atom. In the sixth O site, O(6) is bonded in a 6-coordinate geometry to one Ba(3), one Sr(1), one Y(2), one Y(6), one Y(7), and one Cu(4) atom. In the seventh O site, O(7) is bonded in a 6-coordinate geometry to one Ba(3), one Sr(1), one Y(3), one Y(6), one Y(7), and one Cu(1) atom. In the eighth O site, O(8) is bonded in a 6-coordinate geometry to one Ba(1), one Ba(2), one Y(4), one Y(5), one Y(8), and one Cu(2) atom. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(3), one Y(2), one Y(4), one Y(5), and one Cu(3) atom. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one Ba(2), one Y(1), one Y(3), one Y(6), and one Cu(4) atom. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(3), one Y(2), one Y(4), one Y(7), and one Cu(1) atom. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one Ba(2), one Sr(1), one Y(1), one Y(3), one Y(8), and one Cu(2) atom. is represented by the CIF card [CIF]
data_Ba3SrY8(CuO5)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.696
_cell_length_b   7.236
_cell_length_c   12.221
_cell_angle_alpha   89.885
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   503.703
_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  0.070  0.095  1.0
  Ba  Ba1  1  0.500  0.569  0.406  1.0
  Ba  Ba2  1  0.500  0.931  0.905  1.0
  Sr  Sr3  1  0.000  0.426  0.592  1.0
  Y  Y4  1  0.000  0.895  0.427  1.0
  Y  Y5  1  0.000  0.603  0.925  1.0
  Y  Y6  1  0.500  0.106  0.574  1.0
  Y  Y7  1  0.500  0.396  0.074  1.0
  Y  Y8  1  0.000  0.613  0.214  1.0
  Y  Y9  1  0.000  0.886  0.712  1.0
  Y  Y10  1  0.500  0.388  0.786  1.0
  Y  Y11  1  0.500  0.113  0.288  1.0
  Cu  Cu12  1  0.000  0.221  0.837  1.0
  Cu  Cu13  1  0.000  0.282  0.340  1.0
  Cu  Cu14  1  0.500  0.781  0.162  1.0
  Cu  Cu15  1  0.500  0.718  0.660  1.0
  O  O16  1  0.000  0.578  0.407  1.0
  O  O17  1  0.000  0.916  0.899  1.0
  O  O18  1  0.500  0.419  0.598  1.0
  O  O19  1  0.500  0.083  0.100  1.0
  O  O20  1  0.747  0.854  0.273  1.0
  O  O21  1  0.252  0.643  0.770  1.0
  O  O22  1  0.243  0.150  0.725  1.0
  O  O23  1  0.754  0.355  0.228  1.0
  O  O24  1  0.757  0.150  0.725  1.0
  O  O25  1  0.246  0.355  0.228  1.0
  O  O26  1  0.253  0.854  0.273  1.0
  O  O27  1  0.748  0.643  0.770  1.0
  O  O28  1  0.256  0.663  0.068  1.0
  O  O29  1  0.743  0.838  0.568  1.0
  O  O30  1  0.756  0.337  0.932  1.0
  O  O31  1  0.243  0.164  0.433  1.0
  O  O32  1  0.244  0.337  0.932  1.0
  O  O33  1  0.757  0.164  0.433  1.0
  O  O34  1  0.744  0.663  0.068  1.0
  O  O35  1  0.257  0.838  0.568  1.0
[/CIF]
.