The material described by Cr2ZnO5 crystallizes in the orthorhombic Cmcm space group. Cr(1) is bonded to one O(1), one O(3), and three equivalent O(2) atoms to form a mixture of distorted edge and corner-sharing CrO5 trigonal bipyramids. Zn(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Cr(1) and two equivalent Zn(1) atoms to form corner-sharing OZn2Cr2 tetrahedra. In the second O site, O(2) is bonded in a 4-coordinate geometry to three equivalent Cr(1) and one Zn(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Cr(1) and one Zn(1) atom. is represented by the CIF file [CIF]
data_ZnCr2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.671
_cell_length_b   5.378
_cell_length_c   11.398
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   109.954
_symmetry_Int_Tables_number   1
_cell_volume   211.486
_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  0.903  0.805  0.750  1.0
  Zn  Zn1  1  0.097  0.195  0.250  1.0
  Cr  Cr2  1  0.208  0.417  0.597  1.0
  Cr  Cr3  1  0.792  0.583  0.403  1.0
  Cr  Cr4  1  0.792  0.583  0.097  1.0
  Cr  Cr5  1  0.208  0.417  0.903  1.0
  O  O6  1  0.700  0.400  0.250  1.0
  O  O7  1  0.300  0.600  0.750  1.0
  O  O8  1  0.234  0.468  0.075  1.0
  O  O9  1  0.766  0.532  0.925  1.0
  O  O10  1  0.766  0.532  0.575  1.0
  O  O11  1  0.234  0.468  0.425  1.0
  O  O12  1  0.044  0.088  0.630  1.0
  O  O13  1  0.956  0.912  0.370  1.0
  O  O14  1  0.044  0.088  0.870  1.0
  O  O15  1  0.956  0.912  0.130  1.0
[/CIF]
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The material described by Cr2ZnO5 crystallizes in the orthorhombic Cmcm space group. Cr(1) is bonded to one O(1), one O(3), and three equivalent O(2) atoms to form a mixture of distorted edge and corner-sharing CrO5 trigonal bipyramids. Zn(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Cr(1) and two equivalent Zn(1) atoms to form corner-sharing OZn2Cr2 tetrahedra. In the second O site, O(2) is bonded in a 4-coordinate geometry to three equivalent Cr(1) and one Zn(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Cr(1) and one Zn(1) atom. is represented by the CIF file [CIF]
data_ZnCr2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.671
_cell_length_b   5.378
_cell_length_c   11.398
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   109.954
_symmetry_Int_Tables_number   1
_cell_volume   211.486
_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  0.903  0.805  0.750  1.0
  Zn  Zn1  1  0.097  0.195  0.250  1.0
  Cr  Cr2  1  0.208  0.417  0.597  1.0
  Cr  Cr3  1  0.792  0.583  0.403  1.0
  Cr  Cr4  1  0.792  0.583  0.097  1.0
  Cr  Cr5  1  0.208  0.417  0.903  1.0
  O  O6  1  0.700  0.400  0.250  1.0
  O  O7  1  0.300  0.600  0.750  1.0
  O  O8  1  0.234  0.468  0.075  1.0
  O  O9  1  0.766  0.532  0.925  1.0
  O  O10  1  0.766  0.532  0.575  1.0
  O  O11  1  0.234  0.468  0.425  1.0
  O  O12  1  0.044  0.088  0.630  1.0
  O  O13  1  0.956  0.912  0.370  1.0
  O  O14  1  0.044  0.088  0.870  1.0
  O  O15  1  0.956  0.912  0.130  1.0
[/CIF]
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