The compound described by Co2(AsO4)Cl crystallizes in the monoclinic P2_1/m space group. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent Cl(1) atoms to form distorted CoCl2O4 octahedra that share corners with four equivalent As(1)O4 tetrahedra and edges with two equivalent Co(1)Cl2O4 octahedra. In the second Co site, Co(2) is bonded in a 6-coordinate geometry to one O(2), one O(3), two equivalent O(1), and two equivalent Cl(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 Co(1)Cl2O4 octahedra. The corner-sharing octahedral tilt angles range from 50-56°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Co(1), one Co(2), and one As(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Co(2) and one As(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Co(2), two equivalent Co(1), and one As(1) atom. Cl(1) is bonded to two equivalent Co(1) and two equivalent Co(2) atoms to form distorted corner-sharing ClCo4 tetrahedra. is represented by the CIF file [CIF]
data_Co2AsClO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.713
_cell_length_b   4.995
_cell_length_c   6.960
_cell_angle_alpha   88.505
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   233.254
_cell_formula_units_Z   2
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
  Co  Co0  1  0.000  0.000  0.000  1.0
  Co  Co1  1  0.250  0.350  0.731  1.0
  Co  Co2  1  0.500  0.000  0.000  1.0
  Co  Co3  1  0.750  0.650  0.269  1.0
  As  As4  1  0.750  0.510  0.760  1.0
  As  As5  1  0.250  0.490  0.240  1.0
  Cl  Cl6  1  0.250  0.834  0.767  1.0
  Cl  Cl7  1  0.750  0.166  0.233  1.0
  O  O8  1  0.044  0.694  0.201  1.0
  O  O9  1  0.250  0.324  0.453  1.0
  O  O10  1  0.456  0.694  0.201  1.0
  O  O11  1  0.956  0.306  0.799  1.0
  O  O12  1  0.750  0.676  0.547  1.0
  O  O13  1  0.250  0.240  0.064  1.0
  O  O14  1  0.544  0.306  0.799  1.0
  O  O15  1  0.750  0.760  0.936  1.0
[/CIF]
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The compound described by Co2(AsO4)Cl crystallizes in the monoclinic P2_1/m space group. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent Cl(1) atoms to form distorted CoCl2O4 octahedra that share corners with four equivalent As(1)O4 tetrahedra and edges with two equivalent Co(1)Cl2O4 octahedra. In the second Co site, Co(2) is bonded in a 6-coordinate geometry to one O(2), one O(3), two equivalent O(1), and two equivalent Cl(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 Co(1)Cl2O4 octahedra. The corner-sharing octahedral tilt angles range from 50-56°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Co(1), one Co(2), and one As(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Co(2) and one As(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Co(2), two equivalent Co(1), and one As(1) atom. Cl(1) is bonded to two equivalent Co(1) and two equivalent Co(2) atoms to form distorted corner-sharing ClCo4 tetrahedra. is represented by the CIF file [CIF]
data_Co2AsClO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.713
_cell_length_b   4.995
_cell_length_c   6.960
_cell_angle_alpha   88.505
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   233.254
_cell_formula_units_Z   2
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
  Co  Co0  1  0.000  0.000  0.000  1.0
  Co  Co1  1  0.250  0.350  0.731  1.0
  Co  Co2  1  0.500  0.000  0.000  1.0
  Co  Co3  1  0.750  0.650  0.269  1.0
  As  As4  1  0.750  0.510  0.760  1.0
  As  As5  1  0.250  0.490  0.240  1.0
  Cl  Cl6  1  0.250  0.834  0.767  1.0
  Cl  Cl7  1  0.750  0.166  0.233  1.0
  O  O8  1  0.044  0.694  0.201  1.0
  O  O9  1  0.250  0.324  0.453  1.0
  O  O10  1  0.456  0.694  0.201  1.0
  O  O11  1  0.956  0.306  0.799  1.0
  O  O12  1  0.750  0.676  0.547  1.0
  O  O13  1  0.250  0.240  0.064  1.0
  O  O14  1  0.544  0.306  0.799  1.0
  O  O15  1  0.750  0.760  0.936  1.0
[/CIF]
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