The material described by Fe2ZnO5 crystallizes in the orthorhombic Pmmn space group. Fe(1) is bonded to one O(1), one O(3), and three equivalent O(2) atoms to form a mixture of edge and corner-sharing FeO5 trigonal bipyramids. Zn(1) is bonded in a 6-coordinate geometry to two equivalent O(1) and four equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Fe(1) and two equivalent Zn(1) atoms to form corner-sharing OZn2Fe2 tetrahedra. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to three equivalent Fe(1) atoms. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Fe(1) and two equivalent Zn(1) atoms. is represented by the CIF card [CIF]
data_ZnFe2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.295
_cell_length_b   5.048
_cell_length_c   11.842
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   196.992
_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  0.000  0.596  0.500  1.0
  Zn  Zn1  1  0.500  0.404  0.000  1.0
  Fe  Fe2  1  0.500  0.059  0.648  1.0
  Fe  Fe3  1  0.000  0.941  0.852  1.0
  Fe  Fe4  1  0.000  0.941  0.148  1.0
  Fe  Fe5  1  0.500  0.059  0.352  1.0
  O  O6  1  0.000  0.105  0.000  1.0
  O  O7  1  0.500  0.895  0.500  1.0
  O  O8  1  0.000  0.874  0.686  1.0
  O  O9  1  0.500  0.126  0.814  1.0
  O  O10  1  0.000  0.874  0.314  1.0
  O  O11  1  0.500  0.126  0.186  1.0
  O  O12  1  0.500  0.404  0.409  1.0
  O  O13  1  0.000  0.596  0.091  1.0
  O  O14  1  0.000  0.596  0.909  1.0
  O  O15  1  0.500  0.404  0.591  1.0
[/CIF]
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The material described by Fe2ZnO5 crystallizes in the orthorhombic Pmmn space group. Fe(1) is bonded to one O(1), one O(3), and three equivalent O(2) atoms to form a mixture of edge and corner-sharing FeO5 trigonal bipyramids. Zn(1) is bonded in a 6-coordinate geometry to two equivalent O(1) and four equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Fe(1) and two equivalent Zn(1) atoms to form corner-sharing OZn2Fe2 tetrahedra. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to three equivalent Fe(1) atoms. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Fe(1) and two equivalent Zn(1) atoms. is represented by the CIF card [CIF]
data_ZnFe2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.295
_cell_length_b   5.048
_cell_length_c   11.842
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   196.992
_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  0.000  0.596  0.500  1.0
  Zn  Zn1  1  0.500  0.404  0.000  1.0
  Fe  Fe2  1  0.500  0.059  0.648  1.0
  Fe  Fe3  1  0.000  0.941  0.852  1.0
  Fe  Fe4  1  0.000  0.941  0.148  1.0
  Fe  Fe5  1  0.500  0.059  0.352  1.0
  O  O6  1  0.000  0.105  0.000  1.0
  O  O7  1  0.500  0.895  0.500  1.0
  O  O8  1  0.000  0.874  0.686  1.0
  O  O9  1  0.500  0.126  0.814  1.0
  O  O10  1  0.000  0.874  0.314  1.0
  O  O11  1  0.500  0.126  0.186  1.0
  O  O12  1  0.500  0.404  0.409  1.0
  O  O13  1  0.000  0.596  0.091  1.0
  O  O14  1  0.000  0.596  0.909  1.0
  O  O15  1  0.500  0.404  0.591  1.0
[/CIF]
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