The compound described by CuCdAsHO5 crystallizes in the orthorhombic Pnma space group. Cu(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form CuO6 octahedra that share corners with four equivalent As(1)O4 tetrahedra and edges with two equivalent Cu(1)O6 octahedra. Cd(1) is bonded in a 7-coordinate geometry to one O(2), one O(3), one O(4), and four equivalent O(1) atoms. As(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form AsO4 tetrahedra that share corners with four equivalent Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-57°. H(1) is bonded in a distorted linear geometry to one O(2) and one O(4) atom. There are four inequivalent O sites. In the first O site, O(4) is bonded in a distorted single-bond geometry to two equivalent Cu(1), one Cd(1), and one H(1) atom. In the second O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Cu(1), two equivalent Cd(1), and one As(1) atom. In the third O site, O(2) is bonded in a distorted T-shaped geometry to one Cd(1), one As(1), and one H(1) atom. In the fourth O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Cu(1), one Cd(1), and one As(1) atom. is represented by the CIF file [CIF]
data_CdCuAsHO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.045
_cell_length_b   7.435
_cell_length_c   9.272
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   416.735
_cell_formula_units_Z   4
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
  Cd  Cd0  1  0.250  0.621  0.316  1.0
  Cd  Cd1  1  0.250  0.121  0.184  1.0
  Cd  Cd2  1  0.750  0.379  0.684  1.0
  Cd  Cd3  1  0.750  0.879  0.816  1.0
  Cu  Cu4  1  0.500  0.500  0.000  1.0
  Cu  Cu5  1  0.000  0.000  0.500  1.0
  Cu  Cu6  1  0.000  0.500  0.000  1.0
  Cu  Cu7  1  0.500  0.000  0.500  1.0
  As  As8  1  0.250  0.630  0.659  1.0
  As  As9  1  0.250  0.130  0.841  1.0
  As  As10  1  0.750  0.370  0.341  1.0
  As  As11  1  0.750  0.870  0.159  1.0
  H  H12  1  0.250  0.759  0.030  1.0
  H  H13  1  0.250  0.259  0.470  1.0
  H  H14  1  0.750  0.241  0.970  1.0
  H  H15  1  0.750  0.741  0.530  1.0
  O  O16  1  0.512  0.374  0.239  1.0
  O  O17  1  0.988  0.874  0.261  1.0
  O  O18  1  0.012  0.626  0.761  1.0
  O  O19  1  0.488  0.126  0.739  1.0
  O  O20  1  0.488  0.626  0.761  1.0
  O  O21  1  0.012  0.126  0.739  1.0
  O  O22  1  0.988  0.374  0.239  1.0
  O  O23  1  0.512  0.874  0.261  1.0
  O  O24  1  0.250  0.464  0.530  1.0
  O  O25  1  0.250  0.964  0.970  1.0
  O  O26  1  0.750  0.536  0.470  1.0
  O  O27  1  0.750  0.036  0.030  1.0
  O  O28  1  0.250  0.826  0.547  1.0
  O  O29  1  0.250  0.326  0.953  1.0
  O  O30  1  0.750  0.174  0.453  1.0
  O  O31  1  0.750  0.674  0.047  1.0
  O  O32  1  0.250  0.633  0.069  1.0
  O  O33  1  0.250  0.133  0.431  1.0
  O  O34  1  0.750  0.367  0.931  1.0
  O  O35  1  0.750  0.867  0.569  1.0
[/CIF]
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The compound described by CuCdAsHO5 crystallizes in the orthorhombic Pnma space group. Cu(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form CuO6 octahedra that share corners with four equivalent As(1)O4 tetrahedra and edges with two equivalent Cu(1)O6 octahedra. Cd(1) is bonded in a 7-coordinate geometry to one O(2), one O(3), one O(4), and four equivalent O(1) atoms. As(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form AsO4 tetrahedra that share corners with four equivalent Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-57°. H(1) is bonded in a distorted linear geometry to one O(2) and one O(4) atom. There are four inequivalent O sites. In the first O site, O(4) is bonded in a distorted single-bond geometry to two equivalent Cu(1), one Cd(1), and one H(1) atom. In the second O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Cu(1), two equivalent Cd(1), and one As(1) atom. In the third O site, O(2) is bonded in a distorted T-shaped geometry to one Cd(1), one As(1), and one H(1) atom. In the fourth O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Cu(1), one Cd(1), and one As(1) atom. is represented by the CIF file [CIF]
data_CdCuAsHO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.045
_cell_length_b   7.435
_cell_length_c   9.272
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   416.735
_cell_formula_units_Z   4
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
  Cd  Cd0  1  0.250  0.621  0.316  1.0
  Cd  Cd1  1  0.250  0.121  0.184  1.0
  Cd  Cd2  1  0.750  0.379  0.684  1.0
  Cd  Cd3  1  0.750  0.879  0.816  1.0
  Cu  Cu4  1  0.500  0.500  0.000  1.0
  Cu  Cu5  1  0.000  0.000  0.500  1.0
  Cu  Cu6  1  0.000  0.500  0.000  1.0
  Cu  Cu7  1  0.500  0.000  0.500  1.0
  As  As8  1  0.250  0.630  0.659  1.0
  As  As9  1  0.250  0.130  0.841  1.0
  As  As10  1  0.750  0.370  0.341  1.0
  As  As11  1  0.750  0.870  0.159  1.0
  H  H12  1  0.250  0.759  0.030  1.0
  H  H13  1  0.250  0.259  0.470  1.0
  H  H14  1  0.750  0.241  0.970  1.0
  H  H15  1  0.750  0.741  0.530  1.0
  O  O16  1  0.512  0.374  0.239  1.0
  O  O17  1  0.988  0.874  0.261  1.0
  O  O18  1  0.012  0.626  0.761  1.0
  O  O19  1  0.488  0.126  0.739  1.0
  O  O20  1  0.488  0.626  0.761  1.0
  O  O21  1  0.012  0.126  0.739  1.0
  O  O22  1  0.988  0.374  0.239  1.0
  O  O23  1  0.512  0.874  0.261  1.0
  O  O24  1  0.250  0.464  0.530  1.0
  O  O25  1  0.250  0.964  0.970  1.0
  O  O26  1  0.750  0.536  0.470  1.0
  O  O27  1  0.750  0.036  0.030  1.0
  O  O28  1  0.250  0.826  0.547  1.0
  O  O29  1  0.250  0.326  0.953  1.0
  O  O30  1  0.750  0.174  0.453  1.0
  O  O31  1  0.750  0.674  0.047  1.0
  O  O32  1  0.250  0.633  0.069  1.0
  O  O33  1  0.250  0.133  0.431  1.0
  O  O34  1  0.750  0.367  0.931  1.0
  O  O35  1  0.750  0.867  0.569  1.0
[/CIF]
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