The structure described by Ba8Ca4Cu8Hg4O25 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 8-coordinate geometry to one O(3), one O(6), two equivalent O(1), 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(4), one O(5), one O(9), two equivalent O(1), two equivalent O(7), and two equivalent O(8) atoms. In the third Ba site, Ba(3) is bonded in a 8-coordinate geometry to one O(3), one O(5), two equivalent O(2), two equivalent O(7), and two equivalent O(8) atoms. In the fourth Ba site, Ba(4) is bonded in a 8-coordinate geometry to one O(4), one O(6), two equivalent O(2), two equivalent O(7), and two equivalent O(8) atoms. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a body-centered cubic geometry to one O(5), one O(6), two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. In the second Ca site, Ca(2) is bonded in a body-centered cubic geometry to one O(5), one O(6), two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a square co-planar geometry to one O(1), one O(2), one O(3), and one O(4) atom. In the second Cu site, Cu(2) is bonded in a square co-planar geometry to one O(1), one O(2), one O(5), and one O(6) atom. Hg(1) is bonded in a distorted T-shaped geometry to one O(7), one O(8), and one O(9) atom. There are nine inequivalent O sites. In the first O site, O(7) is bonded in a 5-coordinate geometry to one Ba(1), one Ba(2), one Ba(3), one Ba(4), and one Hg(1) atom. In the second O site, O(8) is bonded in a 5-coordinate geometry to one Ba(1), one Ba(2), one Ba(3), one Ba(4), and one Hg(1) atom. In the third O site, O(9) is bonded to two equivalent Ba(2) and four equivalent Hg(1) atoms to form corner-sharing OBa2Hg4 octahedra. The corner-sharing octahedral tilt angles are 41°. In the fourth O site, O(1) is bonded to one Ba(1), one Ba(2), one Ca(1), one Ca(2), one Cu(1), and one Cu(2) atom to form distorted OBa2Ca2Cu2 octahedra that share  a cornercorner with one O(3)Ba2Ca2Cu2 octahedra,  a cornercorner with one O(4)Ba2Ca2Cu2 octahedra,  a cornercorner with one O(5)Ba2Ca2Cu2 octahedra,  a cornercorner with one O(6)Ba2Ca2Cu2 octahedra,  a cornercorner with one O(9)Ba2Hg4 octahedra, corners with four equivalent O(2)Ba2Ca2Cu2 octahedra,  an edgeedge with one O(2)Ba2Ca2Cu2 octahedra, edges with two equivalent O(1)Ba2Ca2Cu2 octahedra,  a faceface with one O(3)Ba2Ca2Cu2 octahedra,  a faceface with one O(4)Ba2Ca2Cu2 octahedra,  a faceface with one O(5)Ba2Ca2Cu2 octahedra, and  a faceface with one O(6)Ba2Ca2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-67°. In the fifth O site, O(2) is bonded to one Ba(3), one Ba(4), one Ca(1), one Ca(2), one Cu(1), and one Cu(2) atom to form a mixture of distorted corner, edge, and face-sharing OBa2Ca2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-67°. In the sixth O site, O(3) is bonded to one Ba(1), one Ba(3), two equivalent Ca(1), and two equivalent Cu(1) atoms to form a mixture of distorted corner, edge, and face-sharing OBa2Ca2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-66°. In the seventh O site, O(4) is bonded to one Ba(2), one Ba(4), two equivalent Ca(2), and two equivalent Cu(1) atoms to form distorted OBa2Ca2Cu2 octahedra that share  a cornercorner with one O(5)Ba2Ca2Cu2 octahedra,  a cornercorner with one O(6)Ba2Ca2Cu2 octahedra,  a cornercorner with one O(9)Ba2Hg4 octahedra, corners with two equivalent O(1)Ba2Ca2Cu2 octahedra, corners with two equivalent O(2)Ba2Ca2Cu2 octahedra, corners with two equivalent O(3)Ba2Ca2Cu2 octahedra,  an edgeedge with one O(4)Ba2Ca2Cu2 octahedra,  an edgeedge with one O(5)Ba2Ca2Cu2 octahedra,  an edgeedge with one O(6)Ba2Ca2Cu2 octahedra, faces with two equivalent O(1)Ba2Ca2Cu2 octahedra, and faces with two equivalent O(2)Ba2Ca2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 1-67°. In the eighth O site, O(5) is bonded to one Ba(2), one Ba(3), one Ca(1), one Ca(2), and two equivalent Cu(2) atoms to form distorted OBa2Ca2Cu2 octahedra that share  a cornercorner with one O(3)Ba2Ca2Cu2 octahedra,  a cornercorner with one O(4)Ba2Ca2Cu2 octahedra,  a cornercorner with one O(9)Ba2Hg4 octahedra, corners with two equivalent O(1)Ba2Ca2Cu2 octahedra, corners with two equivalent O(2)Ba2Ca2Cu2 octahedra, corners with two equivalent O(6)Ba2Ca2Cu2 octahedra,  an edgeedge with one O(3)Ba2Ca2Cu2 octahedra,  an edgeedge with one O(4)Ba2Ca2Cu2 octahedra,  an edgeedge with one O(6)Ba2Ca2Cu2 octahedra, faces with two equivalent O(1)Ba2Ca2Cu2 octahedra, and faces with two equivalent O(2)Ba2Ca2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-67°. In the ninth O site, O(6) is bonded to one Ba(1), one Ba(4), one Ca(1), one Ca(2), and two equivalent Cu(2) atoms to form a mixture of distorted corner, edge, and face-sharing OBa2Ca2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-67°. is represented by the CIF card [CIF]
data_Ba8Ca4Cu8Hg4O25
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.662
_cell_length_b   8.662
_cell_length_c   13.505
_cell_angle_alpha   75.161
_cell_angle_beta   75.161
_cell_angle_gamma   53.041
_symmetry_Int_Tables_number   1
_cell_volume   775.851
_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  0.445  0.445  0.221  1.0
  Ba  Ba1  1  0.948  0.948  0.207  1.0
  Ba  Ba2  1  0.695  0.695  0.219  1.0
  Ba  Ba3  1  0.195  0.195  0.219  1.0
  Ba  Ba4  1  0.305  0.305  0.781  1.0
  Ba  Ba5  1  0.805  0.805  0.781  1.0
  Ba  Ba6  1  0.555  0.555  0.779  1.0
  Ba  Ba7  1  0.052  0.052  0.793  1.0
  Ca  Ca8  1  0.375  0.375  0.500  1.0
  Ca  Ca9  1  0.875  0.875  0.498  1.0
  Ca  Ca10  1  0.625  0.625  0.500  1.0
  Ca  Ca11  1  0.125  0.125  0.502  1.0
  Cu  Cu12  1  0.279  0.781  0.378  1.0
  Cu  Cu13  1  0.781  0.279  0.378  1.0
  Cu  Cu14  1  0.532  0.030  0.378  1.0
  Cu  Cu15  1  0.030  0.532  0.378  1.0
  Cu  Cu16  1  0.219  0.721  0.622  1.0
  Cu  Cu17  1  0.721  0.219  0.622  1.0
  Cu  Cu18  1  0.468  0.970  0.622  1.0
  Cu  Cu19  1  0.970  0.468  0.622  1.0
  Hg  Hg20  1  0.121  0.639  0.000  1.0
  Hg  Hg21  1  0.639  0.121  0.000  1.0
  Hg  Hg22  1  0.361  0.879  1.000  1.0
  Hg  Hg23  1  0.879  0.361  1.000  1.0
  O  O24  1  0.158  0.653  0.378  1.0
  O  O25  1  0.653  0.158  0.378  1.0
  O  O26  1  0.405  0.906  0.378  1.0
  O  O27  1  0.906  0.405  0.378  1.0
  O  O28  1  0.531  0.531  0.378  1.0
  O  O29  1  0.031  0.031  0.379  1.0
  O  O30  1  0.779  0.779  0.379  1.0
  O  O31  1  0.280  0.280  0.378  1.0
  O  O32  1  0.094  0.595  0.622  1.0
  O  O33  1  0.595  0.094  0.622  1.0
  O  O34  1  0.347  0.842  0.622  1.0
  O  O35  1  0.842  0.347  0.622  1.0
  O  O36  1  0.469  0.469  0.622  1.0
  O  O37  1  0.969  0.969  0.621  1.0
  O  O38  1  0.720  0.720  0.622  1.0
  O  O39  1  0.221  0.221  0.621  1.0
  O  O40  1  0.343  0.832  0.158  1.0
  O  O41  1  0.832  0.343  0.158  1.0
  O  O42  1  0.578  0.089  0.158  1.0
  O  O43  1  0.089  0.578  0.158  1.0
  O  O44  1  0.168  0.657  0.842  1.0
  O  O45  1  0.657  0.168  0.842  1.0
  O  O46  1  0.422  0.911  0.842  1.0
  O  O47  1  0.911  0.422  0.842  1.0
  O  O48  1  0.000  0.000  0.000  1.0
[/CIF]
.
The structure described by Ba8Ca4Cu8Hg4O25 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 8-coordinate geometry to one O(3), one O(6), two equivalent O(1), 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(4), one O(5), one O(9), two equivalent O(1), two equivalent O(7), and two equivalent O(8) atoms. In the third Ba site, Ba(3) is bonded in a 8-coordinate geometry to one O(3), one O(5), two equivalent O(2), two equivalent O(7), and two equivalent O(8) atoms. In the fourth Ba site, Ba(4) is bonded in a 8-coordinate geometry to one O(4), one O(6), two equivalent O(2), two equivalent O(7), and two equivalent O(8) atoms. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a body-centered cubic geometry to one O(5), one O(6), two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. In the second Ca site, Ca(2) is bonded in a body-centered cubic geometry to one O(5), one O(6), two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a square co-planar geometry to one O(1), one O(2), one O(3), and one O(4) atom. In the second Cu site, Cu(2) is bonded in a square co-planar geometry to one O(1), one O(2), one O(5), and one O(6) atom. Hg(1) is bonded in a distorted T-shaped geometry to one O(7), one O(8), and one O(9) atom. There are nine inequivalent O sites. In the first O site, O(7) is bonded in a 5-coordinate geometry to one Ba(1), one Ba(2), one Ba(3), one Ba(4), and one Hg(1) atom. In the second O site, O(8) is bonded in a 5-coordinate geometry to one Ba(1), one Ba(2), one Ba(3), one Ba(4), and one Hg(1) atom. In the third O site, O(9) is bonded to two equivalent Ba(2) and four equivalent Hg(1) atoms to form corner-sharing OBa2Hg4 octahedra. The corner-sharing octahedral tilt angles are 41°. In the fourth O site, O(1) is bonded to one Ba(1), one Ba(2), one Ca(1), one Ca(2), one Cu(1), and one Cu(2) atom to form distorted OBa2Ca2Cu2 octahedra that share  a cornercorner with one O(3)Ba2Ca2Cu2 octahedra,  a cornercorner with one O(4)Ba2Ca2Cu2 octahedra,  a cornercorner with one O(5)Ba2Ca2Cu2 octahedra,  a cornercorner with one O(6)Ba2Ca2Cu2 octahedra,  a cornercorner with one O(9)Ba2Hg4 octahedra, corners with four equivalent O(2)Ba2Ca2Cu2 octahedra,  an edgeedge with one O(2)Ba2Ca2Cu2 octahedra, edges with two equivalent O(1)Ba2Ca2Cu2 octahedra,  a faceface with one O(3)Ba2Ca2Cu2 octahedra,  a faceface with one O(4)Ba2Ca2Cu2 octahedra,  a faceface with one O(5)Ba2Ca2Cu2 octahedra, and  a faceface with one O(6)Ba2Ca2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-67°. In the fifth O site, O(2) is bonded to one Ba(3), one Ba(4), one Ca(1), one Ca(2), one Cu(1), and one Cu(2) atom to form a mixture of distorted corner, edge, and face-sharing OBa2Ca2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-67°. In the sixth O site, O(3) is bonded to one Ba(1), one Ba(3), two equivalent Ca(1), and two equivalent Cu(1) atoms to form a mixture of distorted corner, edge, and face-sharing OBa2Ca2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-66°. In the seventh O site, O(4) is bonded to one Ba(2), one Ba(4), two equivalent Ca(2), and two equivalent Cu(1) atoms to form distorted OBa2Ca2Cu2 octahedra that share  a cornercorner with one O(5)Ba2Ca2Cu2 octahedra,  a cornercorner with one O(6)Ba2Ca2Cu2 octahedra,  a cornercorner with one O(9)Ba2Hg4 octahedra, corners with two equivalent O(1)Ba2Ca2Cu2 octahedra, corners with two equivalent O(2)Ba2Ca2Cu2 octahedra, corners with two equivalent O(3)Ba2Ca2Cu2 octahedra,  an edgeedge with one O(4)Ba2Ca2Cu2 octahedra,  an edgeedge with one O(5)Ba2Ca2Cu2 octahedra,  an edgeedge with one O(6)Ba2Ca2Cu2 octahedra, faces with two equivalent O(1)Ba2Ca2Cu2 octahedra, and faces with two equivalent O(2)Ba2Ca2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 1-67°. In the eighth O site, O(5) is bonded to one Ba(2), one Ba(3), one Ca(1), one Ca(2), and two equivalent Cu(2) atoms to form distorted OBa2Ca2Cu2 octahedra that share  a cornercorner with one O(3)Ba2Ca2Cu2 octahedra,  a cornercorner with one O(4)Ba2Ca2Cu2 octahedra,  a cornercorner with one O(9)Ba2Hg4 octahedra, corners with two equivalent O(1)Ba2Ca2Cu2 octahedra, corners with two equivalent O(2)Ba2Ca2Cu2 octahedra, corners with two equivalent O(6)Ba2Ca2Cu2 octahedra,  an edgeedge with one O(3)Ba2Ca2Cu2 octahedra,  an edgeedge with one O(4)Ba2Ca2Cu2 octahedra,  an edgeedge with one O(6)Ba2Ca2Cu2 octahedra, faces with two equivalent O(1)Ba2Ca2Cu2 octahedra, and faces with two equivalent O(2)Ba2Ca2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-67°. In the ninth O site, O(6) is bonded to one Ba(1), one Ba(4), one Ca(1), one Ca(2), and two equivalent Cu(2) atoms to form a mixture of distorted corner, edge, and face-sharing OBa2Ca2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-67°. is represented by the CIF card [CIF]
data_Ba8Ca4Cu8Hg4O25
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.662
_cell_length_b   8.662
_cell_length_c   13.505
_cell_angle_alpha   75.161
_cell_angle_beta   75.161
_cell_angle_gamma   53.041
_symmetry_Int_Tables_number   1
_cell_volume   775.851
_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  0.445  0.445  0.221  1.0
  Ba  Ba1  1  0.948  0.948  0.207  1.0
  Ba  Ba2  1  0.695  0.695  0.219  1.0
  Ba  Ba3  1  0.195  0.195  0.219  1.0
  Ba  Ba4  1  0.305  0.305  0.781  1.0
  Ba  Ba5  1  0.805  0.805  0.781  1.0
  Ba  Ba6  1  0.555  0.555  0.779  1.0
  Ba  Ba7  1  0.052  0.052  0.793  1.0
  Ca  Ca8  1  0.375  0.375  0.500  1.0
  Ca  Ca9  1  0.875  0.875  0.498  1.0
  Ca  Ca10  1  0.625  0.625  0.500  1.0
  Ca  Ca11  1  0.125  0.125  0.502  1.0
  Cu  Cu12  1  0.279  0.781  0.378  1.0
  Cu  Cu13  1  0.781  0.279  0.378  1.0
  Cu  Cu14  1  0.532  0.030  0.378  1.0
  Cu  Cu15  1  0.030  0.532  0.378  1.0
  Cu  Cu16  1  0.219  0.721  0.622  1.0
  Cu  Cu17  1  0.721  0.219  0.622  1.0
  Cu  Cu18  1  0.468  0.970  0.622  1.0
  Cu  Cu19  1  0.970  0.468  0.622  1.0
  Hg  Hg20  1  0.121  0.639  0.000  1.0
  Hg  Hg21  1  0.639  0.121  0.000  1.0
  Hg  Hg22  1  0.361  0.879  1.000  1.0
  Hg  Hg23  1  0.879  0.361  1.000  1.0
  O  O24  1  0.158  0.653  0.378  1.0
  O  O25  1  0.653  0.158  0.378  1.0
  O  O26  1  0.405  0.906  0.378  1.0
  O  O27  1  0.906  0.405  0.378  1.0
  O  O28  1  0.531  0.531  0.378  1.0
  O  O29  1  0.031  0.031  0.379  1.0
  O  O30  1  0.779  0.779  0.379  1.0
  O  O31  1  0.280  0.280  0.378  1.0
  O  O32  1  0.094  0.595  0.622  1.0
  O  O33  1  0.595  0.094  0.622  1.0
  O  O34  1  0.347  0.842  0.622  1.0
  O  O35  1  0.842  0.347  0.622  1.0
  O  O36  1  0.469  0.469  0.622  1.0
  O  O37  1  0.969  0.969  0.621  1.0
  O  O38  1  0.720  0.720  0.622  1.0
  O  O39  1  0.221  0.221  0.621  1.0
  O  O40  1  0.343  0.832  0.158  1.0
  O  O41  1  0.832  0.343  0.158  1.0
  O  O42  1  0.578  0.089  0.158  1.0
  O  O43  1  0.089  0.578  0.158  1.0
  O  O44  1  0.168  0.657  0.842  1.0
  O  O45  1  0.657  0.168  0.842  1.0
  O  O46  1  0.422  0.911  0.842  1.0
  O  O47  1  0.911  0.422  0.842  1.0
  O  O48  1  0.000  0.000  0.000  1.0
[/CIF]
.