The material structure described by Mn2Zn2O5 crystallizes in the orthorhombic Pbam space group. Mn(1) is bonded to one O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted corner-sharing MnO5 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 in a distorted linear geometry to two equivalent Mn(1) and four equivalent Zn(1) atoms. In the second O site, O(2) is bonded to two equivalent Mn(1) and two equivalent Zn(1) atoms to form a mixture of corner and edge-sharing OMn2Zn2 tetrahedra. In the third O site, O(3) is bonded to two equivalent Mn(1) and two equivalent Zn(1) atoms to form a mixture of distorted corner and edge-sharing OMn2Zn2 trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mn2Zn2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.632
_cell_length_b   5.472
_cell_length_c   10.490
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   208.496
_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
  Mn  Mn0  1  0.000  0.736  0.132  1.0
  Mn  Mn1  1  0.000  0.264  0.868  1.0
  Mn  Mn2  1  0.000  0.764  0.632  1.0
  Mn  Mn3  1  0.000  0.236  0.368  1.0
  Zn  Zn4  1  0.500  0.770  0.400  1.0
  Zn  Zn5  1  0.500  0.230  0.600  1.0
  Zn  Zn6  1  0.500  0.270  0.100  1.0
  Zn  Zn7  1  0.500  0.730  0.900  1.0
  O  O8  1  0.000  0.000  0.000  1.0
  O  O9  1  0.000  0.632  0.818  1.0
  O  O10  1  0.000  0.132  0.682  1.0
  O  O11  1  0.000  0.868  0.318  1.0
  O  O12  1  0.500  0.817  0.594  1.0
  O  O13  1  0.500  0.183  0.406  1.0
  O  O14  1  0.000  0.368  0.182  1.0
  O  O15  1  0.500  0.683  0.094  1.0
  O  O16  1  0.000  0.500  0.500  1.0
  O  O17  1  0.500  0.317  0.906  1.0
[/CIF]
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The material structure described by Mn2Zn2O5 crystallizes in the orthorhombic Pbam space group. Mn(1) is bonded to one O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted corner-sharing MnO5 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 in a distorted linear geometry to two equivalent Mn(1) and four equivalent Zn(1) atoms. In the second O site, O(2) is bonded to two equivalent Mn(1) and two equivalent Zn(1) atoms to form a mixture of corner and edge-sharing OMn2Zn2 tetrahedra. In the third O site, O(3) is bonded to two equivalent Mn(1) and two equivalent Zn(1) atoms to form a mixture of distorted corner and edge-sharing OMn2Zn2 trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mn2Zn2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.632
_cell_length_b   5.472
_cell_length_c   10.490
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   208.496
_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
  Mn  Mn0  1  0.000  0.736  0.132  1.0
  Mn  Mn1  1  0.000  0.264  0.868  1.0
  Mn  Mn2  1  0.000  0.764  0.632  1.0
  Mn  Mn3  1  0.000  0.236  0.368  1.0
  Zn  Zn4  1  0.500  0.770  0.400  1.0
  Zn  Zn5  1  0.500  0.230  0.600  1.0
  Zn  Zn6  1  0.500  0.270  0.100  1.0
  Zn  Zn7  1  0.500  0.730  0.900  1.0
  O  O8  1  0.000  0.000  0.000  1.0
  O  O9  1  0.000  0.632  0.818  1.0
  O  O10  1  0.000  0.132  0.682  1.0
  O  O11  1  0.000  0.868  0.318  1.0
  O  O12  1  0.500  0.817  0.594  1.0
  O  O13  1  0.500  0.183  0.406  1.0
  O  O14  1  0.000  0.368  0.182  1.0
  O  O15  1  0.500  0.683  0.094  1.0
  O  O16  1  0.000  0.500  0.500  1.0
  O  O17  1  0.500  0.317  0.906  1.0
[/CIF]
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