The compound described by KCu2(SO5)2 crystallizes in the monoclinic C2/m space group. K(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), and four equivalent O(3) atoms. Cu(1) is bonded in a distorted square co-planar geometry to two equivalent O(3) and two equivalent O(4) atoms. S(1) is bonded in a tetrahedral geometry to one O(1), one O(2), and two equivalent O(3) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one K(1) and one S(1) atom. In the second O site, O(2) is bonded in a single-bond geometry to one K(1) and one S(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one K(1), one Cu(1), and one S(1) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to two equivalent Cu(1) atoms. is represented by the CIF file [CIF]
data_KCu2(SO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.566
_cell_length_b   5.566
_cell_length_c   8.657
_cell_angle_alpha   65.038
_cell_angle_beta   65.038
_cell_angle_gamma   66.993
_symmetry_Int_Tables_number   1
_cell_volume   212.955
_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
  K  K0  1  0.500  0.500  0.500  1.0
  Cu  Cu1  1  0.000  0.500  0.000  1.0
  Cu  Cu2  1  0.500  0.000  0.000  1.0
  S  S3  1  0.065  0.065  0.728  1.0
  S  S4  1  0.935  0.935  0.272  1.0
  O  O5  1  0.164  0.164  0.816  1.0
  O  O6  1  0.836  0.836  0.184  1.0
  O  O7  1  0.166  0.166  0.533  1.0
  O  O8  1  0.834  0.834  0.467  1.0
  O  O9  1  0.751  0.159  0.781  1.0
  O  O10  1  0.159  0.751  0.781  1.0
  O  O11  1  0.249  0.841  0.219  1.0
  O  O12  1  0.841  0.249  0.219  1.0
  O  O13  1  0.330  0.330  0.035  1.0
  O  O14  1  0.670  0.670  0.965  1.0
[/CIF]
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The compound described by KCu2(SO5)2 crystallizes in the monoclinic C2/m space group. K(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), and four equivalent O(3) atoms. Cu(1) is bonded in a distorted square co-planar geometry to two equivalent O(3) and two equivalent O(4) atoms. S(1) is bonded in a tetrahedral geometry to one O(1), one O(2), and two equivalent O(3) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one K(1) and one S(1) atom. In the second O site, O(2) is bonded in a single-bond geometry to one K(1) and one S(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one K(1), one Cu(1), and one S(1) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to two equivalent Cu(1) atoms. is represented by the CIF file [CIF]
data_KCu2(SO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.566
_cell_length_b   5.566
_cell_length_c   8.657
_cell_angle_alpha   65.038
_cell_angle_beta   65.038
_cell_angle_gamma   66.993
_symmetry_Int_Tables_number   1
_cell_volume   212.955
_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
  K  K0  1  0.500  0.500  0.500  1.0
  Cu  Cu1  1  0.000  0.500  0.000  1.0
  Cu  Cu2  1  0.500  0.000  0.000  1.0
  S  S3  1  0.065  0.065  0.728  1.0
  S  S4  1  0.935  0.935  0.272  1.0
  O  O5  1  0.164  0.164  0.816  1.0
  O  O6  1  0.836  0.836  0.184  1.0
  O  O7  1  0.166  0.166  0.533  1.0
  O  O8  1  0.834  0.834  0.467  1.0
  O  O9  1  0.751  0.159  0.781  1.0
  O  O10  1  0.159  0.751  0.781  1.0
  O  O11  1  0.249  0.841  0.219  1.0
  O  O12  1  0.841  0.249  0.219  1.0
  O  O13  1  0.330  0.330  0.035  1.0
  O  O14  1  0.670  0.670  0.965  1.0
[/CIF]
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