The material described by Cr2ZnO6 crystallizes in the orthorhombic Pmn2_1 space group. Cr(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form corner-sharing CrO6 octahedra. The corner-sharing octahedral tilt angles range from 28-48°. Zn(1) is bonded in a 5-coordinate geometry to one O(3), two equivalent O(1), and two equivalent O(2) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Cr(1) and one Zn(1) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to two equivalent Cr(1) and one Zn(1) atom. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Cr(1) and one Zn(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to two equivalent Cr(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_ZnCr2O6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.007
_cell_length_b   5.367
_cell_length_c   7.194
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   193.310
_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
  Zn  Zn0  1  0.532  0.290  0.500  1.0
  Zn  Zn1  1  0.032  0.710  0.000  1.0
  Cr  Cr2  1  0.528  0.762  0.738  1.0
  Cr  Cr3  1  0.028  0.238  0.762  1.0
  Cr  Cr4  1  0.028  0.238  0.238  1.0
  Cr  Cr5  1  0.528  0.762  0.262  1.0
  O  O6  1  0.700  0.042  0.313  1.0
  O  O7  1  0.200  0.958  0.187  1.0
  O  O8  1  0.748  0.512  0.684  1.0
  O  O9  1  0.248  0.488  0.816  1.0
  O  O10  1  0.248  0.488  0.184  1.0
  O  O11  1  0.748  0.512  0.316  1.0
  O  O12  1  0.200  0.958  0.813  1.0
  O  O13  1  0.700  0.042  0.687  1.0
  O  O14  1  0.146  0.239  0.500  1.0
  O  O15  1  0.646  0.761  0.000  1.0
  O  O16  1  0.379  0.746  0.500  1.0
  O  O17  1  0.879  0.254  0.000  1.0
[/CIF]
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The material described by Cr2ZnO6 crystallizes in the orthorhombic Pmn2_1 space group. Cr(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form corner-sharing CrO6 octahedra. The corner-sharing octahedral tilt angles range from 28-48°. Zn(1) is bonded in a 5-coordinate geometry to one O(3), two equivalent O(1), and two equivalent O(2) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Cr(1) and one Zn(1) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to two equivalent Cr(1) and one Zn(1) atom. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Cr(1) and one Zn(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to two equivalent Cr(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_ZnCr2O6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.007
_cell_length_b   5.367
_cell_length_c   7.194
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   193.310
_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
  Zn  Zn0  1  0.532  0.290  0.500  1.0
  Zn  Zn1  1  0.032  0.710  0.000  1.0
  Cr  Cr2  1  0.528  0.762  0.738  1.0
  Cr  Cr3  1  0.028  0.238  0.762  1.0
  Cr  Cr4  1  0.028  0.238  0.238  1.0
  Cr  Cr5  1  0.528  0.762  0.262  1.0
  O  O6  1  0.700  0.042  0.313  1.0
  O  O7  1  0.200  0.958  0.187  1.0
  O  O8  1  0.748  0.512  0.684  1.0
  O  O9  1  0.248  0.488  0.816  1.0
  O  O10  1  0.248  0.488  0.184  1.0
  O  O11  1  0.748  0.512  0.316  1.0
  O  O12  1  0.200  0.958  0.813  1.0
  O  O13  1  0.700  0.042  0.687  1.0
  O  O14  1  0.146  0.239  0.500  1.0
  O  O15  1  0.646  0.761  0.000  1.0
  O  O16  1  0.379  0.746  0.500  1.0
  O  O17  1  0.879  0.254  0.000  1.0
[/CIF]
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