The material described by Cu9O2(SeO3)4Cl6 crystallizes in the monoclinic C2/m space group. There are five inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(1), two equivalent O(4), and two equivalent O(5) atoms to form distorted CuO5 trigonal bipyramids that share  a cornercorner with one Cu(3)ClO4 trigonal bipyramid and  an edgeedge with one Cu(1)O5 trigonal bipyramid. In the second Cu site, Cu(2) is bonded in a distorted rectangular see-saw-like geometry to two equivalent O(5), one Cl(1), and one Cl(3) atom. In the third Cu site, Cu(3) is bonded to one O(1), one O(3), two equivalent O(2), and one Cl(2) atom to form distorted corner-sharing CuClO4 trigonal bipyramids. In the fourth Cu site, Cu(4) is bonded in a square co-planar geometry to two equivalent O(3) and two equivalent Cl(2) atoms. In the fifth Cu site, Cu(5) is bonded in a distorted square co-planar geometry to two equivalent O(1), two equivalent O(2), and two equivalent Cl(1) atoms. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded in a distorted trigonal non-coplanar geometry to one O(4) and two equivalent O(2) atoms. In the second Se site, Se(2) is bonded in a distorted T-shaped geometry to one O(3) and two equivalent O(5) atoms. There are five inequivalent O sites. In the first O site, O(1) is bonded to one Cu(1), one Cu(3), and two equivalent Cu(5) atoms to form corner-sharing OCu4 tetrahedra. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Cu(3), one Cu(5), and one Se(1) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Cu(3), one Cu(4), and one Se(2) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to two equivalent Cu(1) and one Se(1) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Cu(1), one Cu(2), and one Se(2) atom. There are three inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a 3-coordinate geometry to one Cu(2) and two equivalent Cu(5) atoms. In the second Cl site, Cl(2) is bonded in an L-shaped geometry to one Cu(3) and one Cu(4) atom. In the third Cl site, Cl(3) is bonded in a single-bond geometry to one Cu(2) atom. is represented by the CIF card [CIF]
data_Cu9Se4(Cl3O7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.322
_cell_length_b   8.289
_cell_length_c   11.957
_cell_angle_alpha   79.819
_cell_angle_beta   74.670
_cell_angle_gamma   67.582
_symmetry_Int_Tables_number   1
_cell_volume   556.602
_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
  Cu  Cu0  1  0.878  0.149  0.094  1.0
  Cu  Cu1  1  0.289  0.156  0.265  1.0
  Cu  Cu2  1  0.384  0.446  0.785  1.0
  Cu  Cu3  1  0.616  0.554  0.215  1.0
  Cu  Cu4  1  0.500  0.500  0.500  1.0
  Cu  Cu5  1  0.122  0.851  0.906  1.0
  Cu  Cu6  1  0.500  0.500  0.000  1.0
  Cu  Cu7  1  0.711  0.844  0.735  1.0
  Cu  Cu8  1  0.000  0.500  0.000  1.0
  Se  Se9  1  0.961  0.274  0.805  1.0
  Se  Se10  1  0.039  0.726  0.195  1.0
  Se  Se11  1  0.254  0.854  0.638  1.0
  Se  Se12  1  0.746  0.146  0.362  1.0
  Cl  Cl13  1  0.367  0.195  0.070  1.0
  Cl  Cl14  1  0.449  0.741  0.361  1.0
  Cl  Cl15  1  0.633  0.805  0.930  1.0
  Cl  Cl16  1  0.551  0.259  0.639  1.0
  Cl  Cl17  1  0.164  0.225  0.447  1.0
  Cl  Cl18  1  0.836  0.775  0.553  1.0
  O  O19  1  0.759  0.404  0.079  1.0
  O  O20  1  0.919  0.594  0.154  1.0
  O  O21  1  0.369  0.627  0.636  1.0
  O  O22  1  0.332  0.594  0.154  1.0
  O  O23  1  0.984  0.111  0.921  1.0
  O  O24  1  0.381  0.878  0.746  1.0
  O  O25  1  0.005  0.122  0.254  1.0
  O  O26  1  0.668  0.406  0.846  1.0
  O  O27  1  0.081  0.406  0.846  1.0
  O  O28  1  0.016  0.889  0.079  1.0
  O  O29  1  0.241  0.596  0.921  1.0
  O  O30  1  0.631  0.373  0.364  1.0
  O  O31  1  0.995  0.878  0.746  1.0
  O  O32  1  0.619  0.122  0.254  1.0
[/CIF]
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The material described by Cu9O2(SeO3)4Cl6 crystallizes in the monoclinic C2/m space group. There are five inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(1), two equivalent O(4), and two equivalent O(5) atoms to form distorted CuO5 trigonal bipyramids that share  a cornercorner with one Cu(3)ClO4 trigonal bipyramid and  an edgeedge with one Cu(1)O5 trigonal bipyramid. In the second Cu site, Cu(2) is bonded in a distorted rectangular see-saw-like geometry to two equivalent O(5), one Cl(1), and one Cl(3) atom. In the third Cu site, Cu(3) is bonded to one O(1), one O(3), two equivalent O(2), and one Cl(2) atom to form distorted corner-sharing CuClO4 trigonal bipyramids. In the fourth Cu site, Cu(4) is bonded in a square co-planar geometry to two equivalent O(3) and two equivalent Cl(2) atoms. In the fifth Cu site, Cu(5) is bonded in a distorted square co-planar geometry to two equivalent O(1), two equivalent O(2), and two equivalent Cl(1) atoms. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded in a distorted trigonal non-coplanar geometry to one O(4) and two equivalent O(2) atoms. In the second Se site, Se(2) is bonded in a distorted T-shaped geometry to one O(3) and two equivalent O(5) atoms. There are five inequivalent O sites. In the first O site, O(1) is bonded to one Cu(1), one Cu(3), and two equivalent Cu(5) atoms to form corner-sharing OCu4 tetrahedra. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Cu(3), one Cu(5), and one Se(1) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Cu(3), one Cu(4), and one Se(2) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to two equivalent Cu(1) and one Se(1) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Cu(1), one Cu(2), and one Se(2) atom. There are three inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a 3-coordinate geometry to one Cu(2) and two equivalent Cu(5) atoms. In the second Cl site, Cl(2) is bonded in an L-shaped geometry to one Cu(3) and one Cu(4) atom. In the third Cl site, Cl(3) is bonded in a single-bond geometry to one Cu(2) atom. is represented by the CIF card [CIF]
data_Cu9Se4(Cl3O7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.322
_cell_length_b   8.289
_cell_length_c   11.957
_cell_angle_alpha   79.819
_cell_angle_beta   74.670
_cell_angle_gamma   67.582
_symmetry_Int_Tables_number   1
_cell_volume   556.602
_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
  Cu  Cu0  1  0.878  0.149  0.094  1.0
  Cu  Cu1  1  0.289  0.156  0.265  1.0
  Cu  Cu2  1  0.384  0.446  0.785  1.0
  Cu  Cu3  1  0.616  0.554  0.215  1.0
  Cu  Cu4  1  0.500  0.500  0.500  1.0
  Cu  Cu5  1  0.122  0.851  0.906  1.0
  Cu  Cu6  1  0.500  0.500  0.000  1.0
  Cu  Cu7  1  0.711  0.844  0.735  1.0
  Cu  Cu8  1  0.000  0.500  0.000  1.0
  Se  Se9  1  0.961  0.274  0.805  1.0
  Se  Se10  1  0.039  0.726  0.195  1.0
  Se  Se11  1  0.254  0.854  0.638  1.0
  Se  Se12  1  0.746  0.146  0.362  1.0
  Cl  Cl13  1  0.367  0.195  0.070  1.0
  Cl  Cl14  1  0.449  0.741  0.361  1.0
  Cl  Cl15  1  0.633  0.805  0.930  1.0
  Cl  Cl16  1  0.551  0.259  0.639  1.0
  Cl  Cl17  1  0.164  0.225  0.447  1.0
  Cl  Cl18  1  0.836  0.775  0.553  1.0
  O  O19  1  0.759  0.404  0.079  1.0
  O  O20  1  0.919  0.594  0.154  1.0
  O  O21  1  0.369  0.627  0.636  1.0
  O  O22  1  0.332  0.594  0.154  1.0
  O  O23  1  0.984  0.111  0.921  1.0
  O  O24  1  0.381  0.878  0.746  1.0
  O  O25  1  0.005  0.122  0.254  1.0
  O  O26  1  0.668  0.406  0.846  1.0
  O  O27  1  0.081  0.406  0.846  1.0
  O  O28  1  0.016  0.889  0.079  1.0
  O  O29  1  0.241  0.596  0.921  1.0
  O  O30  1  0.631  0.373  0.364  1.0
  O  O31  1  0.995  0.878  0.746  1.0
  O  O32  1  0.619  0.122  0.254  1.0
[/CIF]
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