The material structure described by CaCrO4 is Zircon structured and crystallizes in the tetragonal I4_1/amd space group. Ca(1) is bonded in a 8-coordinate geometry to eight equivalent O(1) atoms. Cr(1) is bonded in a tetrahedral geometry to four equivalent O(1) atoms. O(1) is bonded in a 3-coordinate geometry to two equivalent Ca(1) and one Cr(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CaCrO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.006
_cell_length_b   6.006
_cell_length_c   6.006
_cell_angle_alpha   105.821
_cell_angle_beta   105.821
_cell_angle_gamma   117.048
_symmetry_Int_Tables_number   1
_cell_volume   164.557
_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  0.875  0.125  0.750  1.0
  Ca  Ca1  1  0.125  0.875  0.250  1.0
  Cr  Cr2  1  0.625  0.375  0.250  1.0
  Cr  Cr3  1  0.375  0.625  0.750  1.0
  O  O4  1  0.215  0.285  0.570  1.0
  O  O5  1  0.645  0.215  0.430  1.0
  O  O6  1  0.285  0.215  0.070  1.0
  O  O7  1  0.215  0.645  0.930  1.0
  O  O8  1  0.355  0.785  0.570  1.0
  O  O9  1  0.785  0.715  0.430  1.0
  O  O10  1  0.785  0.355  0.070  1.0
  O  O11  1  0.715  0.785  0.930  1.0
[/CIF]
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The material structure described by CaCrO4 is Zircon structured and crystallizes in the tetragonal I4_1/amd space group. Ca(1) is bonded in a 8-coordinate geometry to eight equivalent O(1) atoms. Cr(1) is bonded in a tetrahedral geometry to four equivalent O(1) atoms. O(1) is bonded in a 3-coordinate geometry to two equivalent Ca(1) and one Cr(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CaCrO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.006
_cell_length_b   6.006
_cell_length_c   6.006
_cell_angle_alpha   105.821
_cell_angle_beta   105.821
_cell_angle_gamma   117.048
_symmetry_Int_Tables_number   1
_cell_volume   164.557
_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  0.875  0.125  0.750  1.0
  Ca  Ca1  1  0.125  0.875  0.250  1.0
  Cr  Cr2  1  0.625  0.375  0.250  1.0
  Cr  Cr3  1  0.375  0.625  0.750  1.0
  O  O4  1  0.215  0.285  0.570  1.0
  O  O5  1  0.645  0.215  0.430  1.0
  O  O6  1  0.285  0.215  0.070  1.0
  O  O7  1  0.215  0.645  0.930  1.0
  O  O8  1  0.355  0.785  0.570  1.0
  O  O9  1  0.785  0.715  0.430  1.0
  O  O10  1  0.785  0.355  0.070  1.0
  O  O11  1  0.715  0.785  0.930  1.0
[/CIF]
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