The structure described by CaCrO2 crystallizes in the tetragonal I4_1/amd space group. Ca(1) is bonded to six equivalent O(1) atoms to form edge-sharing CaO6 octahedra. Cr(1) is bonded in a square co-planar geometry to four equivalent O(1) atoms. O(1) is bonded to three equivalent Ca(1) and two equivalent Cr(1) atoms to form a mixture of edge and corner-sharing OCa3Cr2 square pyramids. is represented by the CIF card [CIF]
data_CaCrO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.215
_cell_length_b   6.215
_cell_length_c   6.989
_cell_angle_alpha   63.602
_cell_angle_beta   63.602
_cell_angle_gamma   90.001
_symmetry_Int_Tables_number   1
_cell_volume   209.876
_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
  Ca  Ca0  1  0.375  0.625  0.250  1.0
  Ca  Ca1  1  0.375  0.125  0.250  1.0
  Ca  Ca2  1  0.875  0.625  0.750  1.0
  Ca  Ca3  1  0.375  0.625  0.750  1.0
  Cr  Cr4  1  0.375  0.125  0.750  1.0
  Cr  Cr5  1  0.875  0.125  0.750  1.0
  Cr  Cr6  1  0.875  0.125  0.250  1.0
  Cr  Cr7  1  0.875  0.625  0.250  1.0
  O  O8  1  0.069  0.847  0.305  1.0
  O  O9  1  0.625  0.847  0.305  1.0
  O  O10  1  0.597  0.319  0.805  1.0
  O  O11  1  0.681  0.403  0.195  1.0
  O  O12  1  0.597  0.875  0.805  1.0
  O  O13  1  0.125  0.403  0.195  1.0
  O  O14  1  0.153  0.931  0.695  1.0
  O  O15  1  0.153  0.375  0.695  1.0
[/CIF]
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The structure described by CaCrO2 crystallizes in the tetragonal I4_1/amd space group. Ca(1) is bonded to six equivalent O(1) atoms to form edge-sharing CaO6 octahedra. Cr(1) is bonded in a square co-planar geometry to four equivalent O(1) atoms. O(1) is bonded to three equivalent Ca(1) and two equivalent Cr(1) atoms to form a mixture of edge and corner-sharing OCa3Cr2 square pyramids. is represented by the CIF card [CIF]
data_CaCrO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.215
_cell_length_b   6.215
_cell_length_c   6.989
_cell_angle_alpha   63.602
_cell_angle_beta   63.602
_cell_angle_gamma   90.001
_symmetry_Int_Tables_number   1
_cell_volume   209.876
_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
  Ca  Ca0  1  0.375  0.625  0.250  1.0
  Ca  Ca1  1  0.375  0.125  0.250  1.0
  Ca  Ca2  1  0.875  0.625  0.750  1.0
  Ca  Ca3  1  0.375  0.625  0.750  1.0
  Cr  Cr4  1  0.375  0.125  0.750  1.0
  Cr  Cr5  1  0.875  0.125  0.750  1.0
  Cr  Cr6  1  0.875  0.125  0.250  1.0
  Cr  Cr7  1  0.875  0.625  0.250  1.0
  O  O8  1  0.069  0.847  0.305  1.0
  O  O9  1  0.625  0.847  0.305  1.0
  O  O10  1  0.597  0.319  0.805  1.0
  O  O11  1  0.681  0.403  0.195  1.0
  O  O12  1  0.597  0.875  0.805  1.0
  O  O13  1  0.125  0.403  0.195  1.0
  O  O14  1  0.153  0.931  0.695  1.0
  O  O15  1  0.153  0.375  0.695  1.0
[/CIF]
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