The crystal structure described by CoCrO4 crystallizes in the orthorhombic Pnma space group. Cr(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form CrO4 tetrahedra that share corners with four equivalent Co(1)O6 octahedra and  an edgeedge with one Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-53°. Co(1) is bonded to one O(2), one O(3), and four equivalent O(1) atoms to form CoO6 octahedra that share corners with four equivalent Co(1)O6 octahedra, corners with four equivalent Cr(1)O4 tetrahedra, and  an edgeedge with one Cr(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 48°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Cr(1) and two equivalent Co(1) atoms. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Cr(1) and one Co(1) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Cr(1) and one Co(1) atom. is represented by the CIF file [CIF]
data_CrCoO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.951
_cell_length_b   6.084
_cell_length_c   10.464
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   315.185
_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
  Cr  Cr0  1  0.408  0.750  0.406  1.0
  Cr  Cr1  1  0.092  0.750  0.906  1.0
  Cr  Cr2  1  0.908  0.250  0.094  1.0
  Cr  Cr3  1  0.592  0.250  0.594  1.0
  Co  Co4  1  0.973  0.750  0.231  1.0
  Co  Co5  1  0.527  0.750  0.731  1.0
  Co  Co6  1  0.473  0.250  0.269  1.0
  Co  Co7  1  0.027  0.250  0.769  1.0
  O  O8  1  0.274  0.531  0.328  1.0
  O  O9  1  0.226  0.531  0.828  1.0
  O  O10  1  0.169  0.750  0.060  1.0
  O  O11  1  0.738  0.750  0.389  1.0
  O  O12  1  0.762  0.750  0.889  1.0
  O  O13  1  0.331  0.750  0.560  1.0
  O  O14  1  0.274  0.969  0.328  1.0
  O  O15  1  0.226  0.969  0.828  1.0
  O  O16  1  0.726  0.031  0.672  1.0
  O  O17  1  0.774  0.031  0.172  1.0
  O  O18  1  0.831  0.250  0.940  1.0
  O  O19  1  0.669  0.250  0.440  1.0
  O  O20  1  0.238  0.250  0.111  1.0
  O  O21  1  0.262  0.250  0.611  1.0
  O  O22  1  0.774  0.469  0.172  1.0
  O  O23  1  0.726  0.469  0.672  1.0
[/CIF]
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The crystal structure described by CoCrO4 crystallizes in the orthorhombic Pnma space group. Cr(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form CrO4 tetrahedra that share corners with four equivalent Co(1)O6 octahedra and  an edgeedge with one Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-53°. Co(1) is bonded to one O(2), one O(3), and four equivalent O(1) atoms to form CoO6 octahedra that share corners with four equivalent Co(1)O6 octahedra, corners with four equivalent Cr(1)O4 tetrahedra, and  an edgeedge with one Cr(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 48°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Cr(1) and two equivalent Co(1) atoms. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Cr(1) and one Co(1) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Cr(1) and one Co(1) atom. is represented by the CIF file [CIF]
data_CrCoO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.951
_cell_length_b   6.084
_cell_length_c   10.464
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   315.185
_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
  Cr  Cr0  1  0.408  0.750  0.406  1.0
  Cr  Cr1  1  0.092  0.750  0.906  1.0
  Cr  Cr2  1  0.908  0.250  0.094  1.0
  Cr  Cr3  1  0.592  0.250  0.594  1.0
  Co  Co4  1  0.973  0.750  0.231  1.0
  Co  Co5  1  0.527  0.750  0.731  1.0
  Co  Co6  1  0.473  0.250  0.269  1.0
  Co  Co7  1  0.027  0.250  0.769  1.0
  O  O8  1  0.274  0.531  0.328  1.0
  O  O9  1  0.226  0.531  0.828  1.0
  O  O10  1  0.169  0.750  0.060  1.0
  O  O11  1  0.738  0.750  0.389  1.0
  O  O12  1  0.762  0.750  0.889  1.0
  O  O13  1  0.331  0.750  0.560  1.0
  O  O14  1  0.274  0.969  0.328  1.0
  O  O15  1  0.226  0.969  0.828  1.0
  O  O16  1  0.726  0.031  0.672  1.0
  O  O17  1  0.774  0.031  0.172  1.0
  O  O18  1  0.831  0.250  0.940  1.0
  O  O19  1  0.669  0.250  0.440  1.0
  O  O20  1  0.238  0.250  0.111  1.0
  O  O21  1  0.262  0.250  0.611  1.0
  O  O22  1  0.774  0.469  0.172  1.0
  O  O23  1  0.726  0.469  0.672  1.0
[/CIF]
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