The structure described by Ni2O3 crystallizes in the monoclinic Cc space group. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form corner-sharing NiO4 tetrahedra. In the second Ni site, Ni(2) is bonded to one O(1), one O(3), and two equivalent O(2) atoms to form corner-sharing NiO4 tetrahedra. There are three 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. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Ni(1) and one Ni(2) atom. is represented by the CIF card [CIF]
data_Ni2O3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.492
_cell_length_b   5.492
_cell_length_c   5.989
_cell_angle_alpha   61.930
_cell_angle_beta   61.930
_cell_angle_gamma   60.958
_symmetry_Int_Tables_number   1
_cell_volume   132.331
_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
  Ni  Ni0  1  0.182  0.995  0.500  1.0
  Ni  Ni1  1  0.829  0.662  0.509  1.0
  Ni  Ni2  1  0.995  0.182  0.000  1.0
  Ni  Ni3  1  0.662  0.829  0.009  1.0
  O  O4  1  0.289  0.093  0.129  1.0
  O  O5  1  0.919  0.828  0.134  1.0
  O  O6  1  0.657  0.463  0.103  1.0
  O  O7  1  0.093  0.289  0.629  1.0
  O  O8  1  0.828  0.919  0.634  1.0
  O  O9  1  0.463  0.657  0.603  1.0
[/CIF]
.
The structure described by Ni2O3 crystallizes in the monoclinic Cc space group. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form corner-sharing NiO4 tetrahedra. In the second Ni site, Ni(2) is bonded to one O(1), one O(3), and two equivalent O(2) atoms to form corner-sharing NiO4 tetrahedra. There are three 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. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Ni(1) and one Ni(2) atom. is represented by the CIF card [CIF]
data_Ni2O3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.492
_cell_length_b   5.492
_cell_length_c   5.989
_cell_angle_alpha   61.930
_cell_angle_beta   61.930
_cell_angle_gamma   60.958
_symmetry_Int_Tables_number   1
_cell_volume   132.331
_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
  Ni  Ni0  1  0.182  0.995  0.500  1.0
  Ni  Ni1  1  0.829  0.662  0.509  1.0
  Ni  Ni2  1  0.995  0.182  0.000  1.0
  Ni  Ni3  1  0.662  0.829  0.009  1.0
  O  O4  1  0.289  0.093  0.129  1.0
  O  O5  1  0.919  0.828  0.134  1.0
  O  O6  1  0.657  0.463  0.103  1.0
  O  O7  1  0.093  0.289  0.629  1.0
  O  O8  1  0.828  0.919  0.634  1.0
  O  O9  1  0.463  0.657  0.603  1.0
[/CIF]
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