The compound described by Zn(Fe2O3)2 crystallizes in the orthorhombic Cmcm space group. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(2), two equivalent O(1), and three equivalent O(3) atoms to form FeO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, corners with two equivalent Zn(1)O6 pentagonal pyramids, edges with five equivalent Fe(1)O6 octahedra, and edges with five equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-13°. In the second Fe site, Fe(2) is bonded to one O(1), one O(4), two equivalent O(2), and two equivalent O(3) atoms to form FeO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, corners with four equivalent Zn(1)O6 pentagonal pyramids, edges with two equivalent Fe(2)O6 octahedra, edges with five equivalent Fe(1)O6 octahedra, and  an edgeedge with one Zn(1)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 0-61°. Zn(1) is bonded to two equivalent O(4) and four equivalent O(2) atoms to form distorted ZnO6 pentagonal pyramids that share corners with four equivalent Fe(1)O6 octahedra, corners with eight equivalent Fe(2)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, and faces with two equivalent Zn(1)O6 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 24-76°. There are four inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Fe(2) and four equivalent Fe(1) atoms to form OFe6 octahedra that share corners with four equivalent O(3)Fe5 square pyramids, corners with two equivalent O(4)Zn2Fe2 tetrahedra, edges with two equivalent O(1)Fe6 octahedra, edges with six equivalent O(3)Fe5 square pyramids, and edges with four equivalent O(2)Zn2Fe3 trigonal bipyramids. In the second O site, O(2) is bonded to one Fe(1), two equivalent Fe(2), and two equivalent Zn(1) atoms to form distorted OZn2Fe3 trigonal bipyramids that share corners with five equivalent O(3)Fe5 square pyramids, corners with four equivalent O(4)Zn2Fe2 tetrahedra, corners with two equivalent O(2)Zn2Fe3 trigonal bipyramids, edges with two equivalent O(1)Fe6 octahedra,  an edgeedge with one O(3)Fe5 square pyramid,  an edgeedge with one O(4)Zn2Fe2 tetrahedra, and edges with three equivalent O(2)Zn2Fe3 trigonal bipyramids. In the third O site, O(3) is bonded to two equivalent Fe(2) and three equivalent Fe(1) atoms to form OFe5 square pyramids that share corners with two equivalent O(1)Fe6 octahedra, corners with two equivalent O(4)Zn2Fe2 tetrahedra, corners with five equivalent O(2)Zn2Fe3 trigonal bipyramids, edges with three equivalent O(1)Fe6 octahedra, edges with four equivalent O(3)Fe5 square pyramids, and  an edgeedge with one O(2)Zn2Fe3 trigonal bipyramid. The corner-sharing octahedral tilt angles are 6°. In the fourth O site, O(4) is bonded to two equivalent Fe(2) and two equivalent Zn(1) atoms to form OZn2Fe2 tetrahedra that share corners with two equivalent O(1)Fe6 octahedra, corners with four equivalent O(3)Fe5 square pyramids, corners with two equivalent O(4)Zn2Fe2 tetrahedra, corners with eight equivalent O(2)Zn2Fe3 trigonal bipyramids, and edges with two equivalent O(2)Zn2Fe3 trigonal bipyramids. The corner-sharing octahedral tilt angles are 5°. is represented by the CIF file [CIF]
data_Zn(Fe2O3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.277
_cell_length_b   5.277
_cell_length_c   15.397
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   147.280
_symmetry_Int_Tables_number   1
_cell_volume   231.730
_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  0.347  0.653  0.750  1.0
  Zn  Zn1  1  0.653  0.347  0.250  1.0
  Fe  Fe2  1  0.135  0.865  0.047  1.0
  Fe  Fe3  1  0.600  0.400  0.637  1.0
  Fe  Fe4  1  0.865  0.135  0.953  1.0
  Fe  Fe5  1  0.400  0.600  0.363  1.0
  Fe  Fe6  1  0.135  0.865  0.453  1.0
  Fe  Fe7  1  0.865  0.135  0.547  1.0
  Fe  Fe8  1  0.400  0.600  0.137  1.0
  Fe  Fe9  1  0.600  0.400  0.863  1.0
  O  O10  1  0.500  0.500  0.500  1.0
  O  O11  1  0.500  0.500  0.000  1.0
  O  O12  1  0.965  0.035  0.837  1.0
  O  O13  1  0.035  0.965  0.163  1.0
  O  O14  1  0.035  0.965  0.337  1.0
  O  O15  1  0.965  0.035  0.663  1.0
  O  O16  1  0.212  0.788  0.917  1.0
  O  O17  1  0.788  0.212  0.083  1.0
  O  O18  1  0.788  0.212  0.417  1.0
  O  O19  1  0.212  0.788  0.583  1.0
  O  O20  1  0.702  0.298  0.750  1.0
  O  O21  1  0.298  0.702  0.250  1.0
[/CIF]
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The compound described by Zn(Fe2O3)2 crystallizes in the orthorhombic Cmcm space group. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(2), two equivalent O(1), and three equivalent O(3) atoms to form FeO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, corners with two equivalent Zn(1)O6 pentagonal pyramids, edges with five equivalent Fe(1)O6 octahedra, and edges with five equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-13°. In the second Fe site, Fe(2) is bonded to one O(1), one O(4), two equivalent O(2), and two equivalent O(3) atoms to form FeO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, corners with four equivalent Zn(1)O6 pentagonal pyramids, edges with two equivalent Fe(2)O6 octahedra, edges with five equivalent Fe(1)O6 octahedra, and  an edgeedge with one Zn(1)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 0-61°. Zn(1) is bonded to two equivalent O(4) and four equivalent O(2) atoms to form distorted ZnO6 pentagonal pyramids that share corners with four equivalent Fe(1)O6 octahedra, corners with eight equivalent Fe(2)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, and faces with two equivalent Zn(1)O6 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 24-76°. There are four inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Fe(2) and four equivalent Fe(1) atoms to form OFe6 octahedra that share corners with four equivalent O(3)Fe5 square pyramids, corners with two equivalent O(4)Zn2Fe2 tetrahedra, edges with two equivalent O(1)Fe6 octahedra, edges with six equivalent O(3)Fe5 square pyramids, and edges with four equivalent O(2)Zn2Fe3 trigonal bipyramids. In the second O site, O(2) is bonded to one Fe(1), two equivalent Fe(2), and two equivalent Zn(1) atoms to form distorted OZn2Fe3 trigonal bipyramids that share corners with five equivalent O(3)Fe5 square pyramids, corners with four equivalent O(4)Zn2Fe2 tetrahedra, corners with two equivalent O(2)Zn2Fe3 trigonal bipyramids, edges with two equivalent O(1)Fe6 octahedra,  an edgeedge with one O(3)Fe5 square pyramid,  an edgeedge with one O(4)Zn2Fe2 tetrahedra, and edges with three equivalent O(2)Zn2Fe3 trigonal bipyramids. In the third O site, O(3) is bonded to two equivalent Fe(2) and three equivalent Fe(1) atoms to form OFe5 square pyramids that share corners with two equivalent O(1)Fe6 octahedra, corners with two equivalent O(4)Zn2Fe2 tetrahedra, corners with five equivalent O(2)Zn2Fe3 trigonal bipyramids, edges with three equivalent O(1)Fe6 octahedra, edges with four equivalent O(3)Fe5 square pyramids, and  an edgeedge with one O(2)Zn2Fe3 trigonal bipyramid. The corner-sharing octahedral tilt angles are 6°. In the fourth O site, O(4) is bonded to two equivalent Fe(2) and two equivalent Zn(1) atoms to form OZn2Fe2 tetrahedra that share corners with two equivalent O(1)Fe6 octahedra, corners with four equivalent O(3)Fe5 square pyramids, corners with two equivalent O(4)Zn2Fe2 tetrahedra, corners with eight equivalent O(2)Zn2Fe3 trigonal bipyramids, and edges with two equivalent O(2)Zn2Fe3 trigonal bipyramids. The corner-sharing octahedral tilt angles are 5°. is represented by the CIF file [CIF]
data_Zn(Fe2O3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.277
_cell_length_b   5.277
_cell_length_c   15.397
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   147.280
_symmetry_Int_Tables_number   1
_cell_volume   231.730
_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  0.347  0.653  0.750  1.0
  Zn  Zn1  1  0.653  0.347  0.250  1.0
  Fe  Fe2  1  0.135  0.865  0.047  1.0
  Fe  Fe3  1  0.600  0.400  0.637  1.0
  Fe  Fe4  1  0.865  0.135  0.953  1.0
  Fe  Fe5  1  0.400  0.600  0.363  1.0
  Fe  Fe6  1  0.135  0.865  0.453  1.0
  Fe  Fe7  1  0.865  0.135  0.547  1.0
  Fe  Fe8  1  0.400  0.600  0.137  1.0
  Fe  Fe9  1  0.600  0.400  0.863  1.0
  O  O10  1  0.500  0.500  0.500  1.0
  O  O11  1  0.500  0.500  0.000  1.0
  O  O12  1  0.965  0.035  0.837  1.0
  O  O13  1  0.035  0.965  0.163  1.0
  O  O14  1  0.035  0.965  0.337  1.0
  O  O15  1  0.965  0.035  0.663  1.0
  O  O16  1  0.212  0.788  0.917  1.0
  O  O17  1  0.788  0.212  0.083  1.0
  O  O18  1  0.788  0.212  0.417  1.0
  O  O19  1  0.212  0.788  0.583  1.0
  O  O20  1  0.702  0.298  0.750  1.0
  O  O21  1  0.298  0.702  0.250  1.0
[/CIF]
.