The structure described by Ca2CrO5 crystallizes in the orthorhombic Ima2 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. Cr(1) is bonded in a 6-coordinate geometry to two equivalent O(2) and four equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a square co-planar geometry to four equivalent Ca(1) atoms. In the second O site, O(2) is bonded in a 3-coordinate geometry to two equivalent Ca(1) and one Cr(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Ca(1) and two equivalent Cr(1) atoms. is represented by the CIF file [CIF]
data_Ca2CrO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.622
_cell_length_b   8.622
_cell_length_c   8.622
_cell_angle_alpha   144.420
_cell_angle_beta   142.535
_cell_angle_gamma   52.625
_symmetry_Int_Tables_number   1
_cell_volume   225.508
_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  0.816  0.410  0.511  1.0
  Ca  Ca1  1  0.601  0.195  0.511  1.0
  Ca  Ca2  1  0.101  0.590  0.406  1.0
  Ca  Ca3  1  0.316  0.805  0.406  1.0
  Cr  Cr4  1  0.457  0.500  0.957  1.0
  Cr  Cr5  1  0.957  0.000  0.957  1.0
  O  O6  1  0.467  0.520  0.488  1.0
  O  O7  1  0.967  0.480  0.947  1.0
  O  O8  1  0.452  0.275  0.925  1.0
  O  O9  1  0.650  0.725  0.177  1.0
  O  O10  1  0.952  0.026  0.177  1.0
  O  O11  1  0.150  0.974  0.925  1.0
  O  O12  1  0.794  0.254  0.965  1.0
  O  O13  1  0.712  0.746  0.540  1.0
  O  O14  1  0.212  0.672  0.965  1.0
  O  O15  1  0.294  0.328  0.540  1.0
[/CIF]
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The structure described by Ca2CrO5 crystallizes in the orthorhombic Ima2 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. Cr(1) is bonded in a 6-coordinate geometry to two equivalent O(2) and four equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a square co-planar geometry to four equivalent Ca(1) atoms. In the second O site, O(2) is bonded in a 3-coordinate geometry to two equivalent Ca(1) and one Cr(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Ca(1) and two equivalent Cr(1) atoms. is represented by the CIF file [CIF]
data_Ca2CrO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.622
_cell_length_b   8.622
_cell_length_c   8.622
_cell_angle_alpha   144.420
_cell_angle_beta   142.535
_cell_angle_gamma   52.625
_symmetry_Int_Tables_number   1
_cell_volume   225.508
_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  0.816  0.410  0.511  1.0
  Ca  Ca1  1  0.601  0.195  0.511  1.0
  Ca  Ca2  1  0.101  0.590  0.406  1.0
  Ca  Ca3  1  0.316  0.805  0.406  1.0
  Cr  Cr4  1  0.457  0.500  0.957  1.0
  Cr  Cr5  1  0.957  0.000  0.957  1.0
  O  O6  1  0.467  0.520  0.488  1.0
  O  O7  1  0.967  0.480  0.947  1.0
  O  O8  1  0.452  0.275  0.925  1.0
  O  O9  1  0.650  0.725  0.177  1.0
  O  O10  1  0.952  0.026  0.177  1.0
  O  O11  1  0.150  0.974  0.925  1.0
  O  O12  1  0.794  0.254  0.965  1.0
  O  O13  1  0.712  0.746  0.540  1.0
  O  O14  1  0.212  0.672  0.965  1.0
  O  O15  1  0.294  0.328  0.540  1.0
[/CIF]
.