The material described by AgCu2H(SeO5)2 crystallizes in the monoclinic C2/m space group. Ag(1) is bonded in a 6-coordinate geometry to two equivalent O(4) and four equivalent O(2) atoms. Cu(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted CuO6 octahedra that share corners with four equivalent Se(1)O4 tetrahedra and edges with two equivalent Cu(1)O6 octahedra. H(1) is bonded in a linear geometry to two equivalent O(1) atoms. Se(1) is bonded to one O(3), one O(4), and two equivalent O(2) atoms to form SeO4 tetrahedra that share corners with four equivalent Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-61°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Cu(1) and one H(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Ag(1), one Cu(1), and one Se(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to two equivalent Cu(1) and one Se(1) atom. In the fourth O site, O(4) is bonded in a distorted water-like geometry to one Ag(1) and one Se(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cu2AgH(SeO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.408
_cell_length_b   5.408
_cell_length_c   8.248
_cell_angle_alpha   66.320
_cell_angle_beta   66.320
_cell_angle_gamma   69.888
_symmetry_Int_Tables_number   1
_cell_volume   197.483
_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  0.500  0.000  0.500  1.0
  Cu  Cu1  1  0.000  0.500  0.500  1.0
  Ag  Ag2  1  0.000  0.000  0.000  1.0
  H  H3  1  0.000  0.000  0.500  1.0
  Se  Se4  1  0.580  0.580  0.206  1.0
  Se  Se5  1  0.420  0.420  0.794  1.0
  O  O6  1  0.845  0.845  0.545  1.0
  O  O7  1  0.155  0.155  0.455  1.0
  O  O8  1  0.680  0.225  0.258  1.0
  O  O9  1  0.320  0.775  0.742  1.0
  O  O10  1  0.775  0.320  0.742  1.0
  O  O11  1  0.225  0.680  0.258  1.0
  O  O12  1  0.680  0.680  0.331  1.0
  O  O13  1  0.320  0.320  0.669  1.0
  O  O14  1  0.283  0.283  0.020  1.0
  O  O15  1  0.717  0.717  0.980  1.0
[/CIF]
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The material described by AgCu2H(SeO5)2 crystallizes in the monoclinic C2/m space group. Ag(1) is bonded in a 6-coordinate geometry to two equivalent O(4) and four equivalent O(2) atoms. Cu(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted CuO6 octahedra that share corners with four equivalent Se(1)O4 tetrahedra and edges with two equivalent Cu(1)O6 octahedra. H(1) is bonded in a linear geometry to two equivalent O(1) atoms. Se(1) is bonded to one O(3), one O(4), and two equivalent O(2) atoms to form SeO4 tetrahedra that share corners with four equivalent Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-61°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Cu(1) and one H(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Ag(1), one Cu(1), and one Se(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to two equivalent Cu(1) and one Se(1) atom. In the fourth O site, O(4) is bonded in a distorted water-like geometry to one Ag(1) and one Se(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cu2AgH(SeO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.408
_cell_length_b   5.408
_cell_length_c   8.248
_cell_angle_alpha   66.320
_cell_angle_beta   66.320
_cell_angle_gamma   69.888
_symmetry_Int_Tables_number   1
_cell_volume   197.483
_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  0.500  0.000  0.500  1.0
  Cu  Cu1  1  0.000  0.500  0.500  1.0
  Ag  Ag2  1  0.000  0.000  0.000  1.0
  H  H3  1  0.000  0.000  0.500  1.0
  Se  Se4  1  0.580  0.580  0.206  1.0
  Se  Se5  1  0.420  0.420  0.794  1.0
  O  O6  1  0.845  0.845  0.545  1.0
  O  O7  1  0.155  0.155  0.455  1.0
  O  O8  1  0.680  0.225  0.258  1.0
  O  O9  1  0.320  0.775  0.742  1.0
  O  O10  1  0.775  0.320  0.742  1.0
  O  O11  1  0.225  0.680  0.258  1.0
  O  O12  1  0.680  0.680  0.331  1.0
  O  O13  1  0.320  0.320  0.669  1.0
  O  O14  1  0.283  0.283  0.020  1.0
  O  O15  1  0.717  0.717  0.980  1.0
[/CIF]
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