The material described by Ni2O3Cl crystallizes in the orthorhombic Pnma space group. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent Cl(1) atoms to form distorted NiCl2O4 octahedra that share edges with two equivalent Ni(1)Cl2O4 octahedra and edges with four equivalent Ni(2)ClO5 octahedra. In the second Ni site, Ni(2) is bonded to one O(1), four equivalent O(2), and one Cl(1) atom to form NiClO5 octahedra that share edges with two equivalent Ni(2)ClO5 octahedra and edges with four equivalent Ni(1)Cl2O4 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a trigonal non-coplanar geometry to one Ni(2) and two equivalent Ni(1) atoms. In the second O site, O(2) is bonded in a trigonal non-coplanar geometry to one Ni(1) and two equivalent Ni(2) atoms. Cl(1) is bonded in a 3-coordinate geometry to one Ni(2) and two equivalent Ni(1) atoms. is represented by the CIF file [CIF]
data_Ni2ClO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.748
_cell_length_b   6.304
_cell_length_c   8.306
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   300.999
_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
  Ni  Ni0  1  0.500  0.000  0.500  1.0
  Ni  Ni1  1  0.000  0.500  0.000  1.0
  Ni  Ni2  1  0.500  0.500  0.500  1.0
  Ni  Ni3  1  0.000  0.000  0.000  1.0
  Ni  Ni4  1  0.298  0.750  0.754  1.0
  Ni  Ni5  1  0.798  0.750  0.746  1.0
  Ni  Ni6  1  0.702  0.250  0.246  1.0
  Ni  Ni7  1  0.202  0.250  0.254  1.0
  Cl  Cl8  1  0.324  0.750  0.030  1.0
  Cl  Cl9  1  0.824  0.750  0.470  1.0
  Cl  Cl10  1  0.676  0.250  0.970  1.0
  Cl  Cl11  1  0.176  0.250  0.530  1.0
  O  O12  1  0.310  0.750  0.524  1.0
  O  O13  1  0.810  0.750  0.976  1.0
  O  O14  1  0.690  0.250  0.476  1.0
  O  O15  1  0.190  0.250  0.024  1.0
  O  O16  1  0.044  0.947  0.774  1.0
  O  O17  1  0.544  0.553  0.726  1.0
  O  O18  1  0.956  0.447  0.226  1.0
  O  O19  1  0.456  0.053  0.274  1.0
  O  O20  1  0.956  0.053  0.226  1.0
  O  O21  1  0.456  0.447  0.274  1.0
  O  O22  1  0.044  0.553  0.774  1.0
  O  O23  1  0.544  0.947  0.726  1.0
[/CIF]
.
The material described by Ni2O3Cl crystallizes in the orthorhombic Pnma space group. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent Cl(1) atoms to form distorted NiCl2O4 octahedra that share edges with two equivalent Ni(1)Cl2O4 octahedra and edges with four equivalent Ni(2)ClO5 octahedra. In the second Ni site, Ni(2) is bonded to one O(1), four equivalent O(2), and one Cl(1) atom to form NiClO5 octahedra that share edges with two equivalent Ni(2)ClO5 octahedra and edges with four equivalent Ni(1)Cl2O4 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a trigonal non-coplanar geometry to one Ni(2) and two equivalent Ni(1) atoms. In the second O site, O(2) is bonded in a trigonal non-coplanar geometry to one Ni(1) and two equivalent Ni(2) atoms. Cl(1) is bonded in a 3-coordinate geometry to one Ni(2) and two equivalent Ni(1) atoms. is represented by the CIF file [CIF]
data_Ni2ClO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.748
_cell_length_b   6.304
_cell_length_c   8.306
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   300.999
_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
  Ni  Ni0  1  0.500  0.000  0.500  1.0
  Ni  Ni1  1  0.000  0.500  0.000  1.0
  Ni  Ni2  1  0.500  0.500  0.500  1.0
  Ni  Ni3  1  0.000  0.000  0.000  1.0
  Ni  Ni4  1  0.298  0.750  0.754  1.0
  Ni  Ni5  1  0.798  0.750  0.746  1.0
  Ni  Ni6  1  0.702  0.250  0.246  1.0
  Ni  Ni7  1  0.202  0.250  0.254  1.0
  Cl  Cl8  1  0.324  0.750  0.030  1.0
  Cl  Cl9  1  0.824  0.750  0.470  1.0
  Cl  Cl10  1  0.676  0.250  0.970  1.0
  Cl  Cl11  1  0.176  0.250  0.530  1.0
  O  O12  1  0.310  0.750  0.524  1.0
  O  O13  1  0.810  0.750  0.976  1.0
  O  O14  1  0.690  0.250  0.476  1.0
  O  O15  1  0.190  0.250  0.024  1.0
  O  O16  1  0.044  0.947  0.774  1.0
  O  O17  1  0.544  0.553  0.726  1.0
  O  O18  1  0.956  0.447  0.226  1.0
  O  O19  1  0.456  0.053  0.274  1.0
  O  O20  1  0.956  0.053  0.226  1.0
  O  O21  1  0.456  0.447  0.274  1.0
  O  O22  1  0.044  0.553  0.774  1.0
  O  O23  1  0.544  0.947  0.726  1.0
[/CIF]
.