The compound described by ZnCr2O4 crystallizes in the orthorhombic Pbcm space group. Cr(1) is bonded to one O(3), two equivalent O(2), and three equivalent O(1) atoms to form a mixture of corner and edge-sharing CrO6 octahedra. The corner-sharing octahedral tilt angles range from 0-55°. Zn(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent O(1) and two equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to three equivalent Cr(1) and one Zn(1) atom. In the second O site, O(2) is bonded in a square co-planar geometry to four equivalent Cr(1) atoms. In the third O site, O(3) is bonded to two equivalent Cr(1) and two equivalent Zn(1) atoms to form corner-sharing OZn2Cr2 tetrahedra. is represented by the CIF card [CIF]
data_ZnCr2O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.940
_cell_length_b   9.668
_cell_length_c   9.954
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   282.952
_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
  Zn  Zn0  1  0.670  0.854  0.250  1.0
  Zn  Zn1  1  0.670  0.646  0.750  1.0
  Zn  Zn2  1  0.330  0.354  0.250  1.0
  Zn  Zn3  1  0.330  0.146  0.750  1.0
  Cr  Cr4  1  0.231  0.617  0.430  1.0
  Cr  Cr5  1  0.231  0.883  0.930  1.0
  Cr  Cr6  1  0.769  0.383  0.930  1.0
  Cr  Cr7  1  0.231  0.883  0.570  1.0
  Cr  Cr8  1  0.769  0.383  0.570  1.0
  Cr  Cr9  1  0.231  0.617  0.070  1.0
  Cr  Cr10  1  0.769  0.117  0.070  1.0
  Cr  Cr11  1  0.769  0.117  0.430  1.0
  O  O12  1  0.732  0.482  0.110  1.0
  O  O13  1  0.268  0.518  0.890  1.0
  O  O14  1  0.728  0.750  0.000  1.0
  O  O15  1  0.268  0.982  0.110  1.0
  O  O16  1  0.268  0.982  0.390  1.0
  O  O17  1  0.182  0.789  0.750  1.0
  O  O18  1  0.732  0.018  0.890  1.0
  O  O19  1  0.818  0.289  0.750  1.0
  O  O20  1  0.728  0.750  0.500  1.0
  O  O21  1  0.272  0.250  0.000  1.0
  O  O22  1  0.732  0.482  0.390  1.0
  O  O23  1  0.818  0.211  0.250  1.0
  O  O24  1  0.182  0.711  0.250  1.0
  O  O25  1  0.272  0.250  0.500  1.0
  O  O26  1  0.732  0.018  0.610  1.0
  O  O27  1  0.268  0.518  0.610  1.0
[/CIF]
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The compound described by ZnCr2O4 crystallizes in the orthorhombic Pbcm space group. Cr(1) is bonded to one O(3), two equivalent O(2), and three equivalent O(1) atoms to form a mixture of corner and edge-sharing CrO6 octahedra. The corner-sharing octahedral tilt angles range from 0-55°. Zn(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent O(1) and two equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to three equivalent Cr(1) and one Zn(1) atom. In the second O site, O(2) is bonded in a square co-planar geometry to four equivalent Cr(1) atoms. In the third O site, O(3) is bonded to two equivalent Cr(1) and two equivalent Zn(1) atoms to form corner-sharing OZn2Cr2 tetrahedra. is represented by the CIF card [CIF]
data_ZnCr2O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.940
_cell_length_b   9.668
_cell_length_c   9.954
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   282.952
_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
  Zn  Zn0  1  0.670  0.854  0.250  1.0
  Zn  Zn1  1  0.670  0.646  0.750  1.0
  Zn  Zn2  1  0.330  0.354  0.250  1.0
  Zn  Zn3  1  0.330  0.146  0.750  1.0
  Cr  Cr4  1  0.231  0.617  0.430  1.0
  Cr  Cr5  1  0.231  0.883  0.930  1.0
  Cr  Cr6  1  0.769  0.383  0.930  1.0
  Cr  Cr7  1  0.231  0.883  0.570  1.0
  Cr  Cr8  1  0.769  0.383  0.570  1.0
  Cr  Cr9  1  0.231  0.617  0.070  1.0
  Cr  Cr10  1  0.769  0.117  0.070  1.0
  Cr  Cr11  1  0.769  0.117  0.430  1.0
  O  O12  1  0.732  0.482  0.110  1.0
  O  O13  1  0.268  0.518  0.890  1.0
  O  O14  1  0.728  0.750  0.000  1.0
  O  O15  1  0.268  0.982  0.110  1.0
  O  O16  1  0.268  0.982  0.390  1.0
  O  O17  1  0.182  0.789  0.750  1.0
  O  O18  1  0.732  0.018  0.890  1.0
  O  O19  1  0.818  0.289  0.750  1.0
  O  O20  1  0.728  0.750  0.500  1.0
  O  O21  1  0.272  0.250  0.000  1.0
  O  O22  1  0.732  0.482  0.390  1.0
  O  O23  1  0.818  0.211  0.250  1.0
  O  O24  1  0.182  0.711  0.250  1.0
  O  O25  1  0.272  0.250  0.500  1.0
  O  O26  1  0.732  0.018  0.610  1.0
  O  O27  1  0.268  0.518  0.610  1.0
[/CIF]
.