The compound described by CaNi2O5 crystallizes in the orthorhombic Cmcm space group. Ca(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. Ni(1) is bonded to one O(1), one O(3), and three equivalent O(2) atoms to form a mixture of corner and edge-sharing NiO5 trigonal bipyramids. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Ca(1) and two equivalent Ni(1) atoms to form distorted corner-sharing OCa2Ni2 tetrahedra. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Ca(1) and three equivalent Ni(1) atoms. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Ca(1), one Ni(1), and one O(3) atom. is represented by the CIF card [CIF]
data_CaNi2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.297
_cell_length_b   6.297
_cell_length_c   10.916
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   143.263
_symmetry_Int_Tables_number   1
_cell_volume   258.937
_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
  Ca  Ca0  1  0.105  0.895  0.750  1.0
  Ca  Ca1  1  0.895  0.105  0.250  1.0
  Ni  Ni2  1  0.758  0.242  0.597  1.0
  Ni  Ni3  1  0.242  0.758  0.403  1.0
  Ni  Ni4  1  0.242  0.758  0.097  1.0
  Ni  Ni5  1  0.758  0.242  0.903  1.0
  O  O6  1  0.320  0.680  0.250  1.0
  O  O7  1  0.680  0.320  0.750  1.0
  O  O8  1  0.774  0.226  0.077  1.0
  O  O9  1  0.226  0.774  0.923  1.0
  O  O10  1  0.226  0.774  0.577  1.0
  O  O11  1  0.774  0.226  0.423  1.0
  O  O12  1  0.911  0.089  0.688  1.0
  O  O13  1  0.089  0.911  0.312  1.0
  O  O14  1  0.911  0.089  0.812  1.0
  O  O15  1  0.089  0.911  0.188  1.0
[/CIF]
.
The compound described by CaNi2O5 crystallizes in the orthorhombic Cmcm space group. Ca(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. Ni(1) is bonded to one O(1), one O(3), and three equivalent O(2) atoms to form a mixture of corner and edge-sharing NiO5 trigonal bipyramids. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Ca(1) and two equivalent Ni(1) atoms to form distorted corner-sharing OCa2Ni2 tetrahedra. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Ca(1) and three equivalent Ni(1) atoms. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Ca(1), one Ni(1), and one O(3) atom. is represented by the CIF card [CIF]
data_CaNi2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.297
_cell_length_b   6.297
_cell_length_c   10.916
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   143.263
_symmetry_Int_Tables_number   1
_cell_volume   258.937
_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
  Ca  Ca0  1  0.105  0.895  0.750  1.0
  Ca  Ca1  1  0.895  0.105  0.250  1.0
  Ni  Ni2  1  0.758  0.242  0.597  1.0
  Ni  Ni3  1  0.242  0.758  0.403  1.0
  Ni  Ni4  1  0.242  0.758  0.097  1.0
  Ni  Ni5  1  0.758  0.242  0.903  1.0
  O  O6  1  0.320  0.680  0.250  1.0
  O  O7  1  0.680  0.320  0.750  1.0
  O  O8  1  0.774  0.226  0.077  1.0
  O  O9  1  0.226  0.774  0.923  1.0
  O  O10  1  0.226  0.774  0.577  1.0
  O  O11  1  0.774  0.226  0.423  1.0
  O  O12  1  0.911  0.089  0.688  1.0
  O  O13  1  0.089  0.911  0.312  1.0
  O  O14  1  0.911  0.089  0.812  1.0
  O  O15  1  0.089  0.911  0.188  1.0
[/CIF]
.