The crystal structure described by K2Zn3O4 crystallizes in the monoclinic C2/c space group. K(1) is bonded in a 6-coordinate geometry to three equivalent O(1) and three equivalent O(2) atoms. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a distorted rectangular see-saw-like geometry to four equivalent O(1) atoms. In the second Zn site, Zn(2) is bonded to one O(1) and three equivalent O(2) atoms to form a mixture of corner and edge-sharing ZnO4 tetrahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to three equivalent K(1), one Zn(2), and two equivalent Zn(1) atoms. In the second O site, O(2) is bonded in a 6-coordinate geometry to three equivalent K(1) and three equivalent Zn(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_K2Zn3O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.720
_cell_length_b   6.365
_cell_length_c   8.030
_cell_angle_alpha   113.351
_cell_angle_beta   101.739
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   261.748
_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
  K  K0  1  0.513  0.760  0.763  1.0
  K  K1  1  0.987  0.997  0.237  1.0
  K  K2  1  0.487  0.240  0.237  1.0
  K  K3  1  0.013  0.003  0.763  1.0
  Zn  Zn4  1  0.250  0.520  0.000  1.0
  Zn  Zn5  1  0.750  0.480  0.000  1.0
  Zn  Zn6  1  0.086  0.574  0.382  1.0
  Zn  Zn7  1  0.414  0.191  0.618  1.0
  Zn  Zn8  1  0.914  0.426  0.618  1.0
  Zn  Zn9  1  0.586  0.809  0.382  1.0
  O  O10  1  0.956  0.621  0.884  1.0
  O  O11  1  0.544  0.737  0.116  1.0
  O  O12  1  0.044  0.379  0.116  1.0
  O  O13  1  0.456  0.263  0.884  1.0
  O  O14  1  0.284  0.860  0.472  1.0
  O  O15  1  0.216  0.388  0.528  1.0
  O  O16  1  0.716  0.140  0.528  1.0
  O  O17  1  0.784  0.612  0.472  1.0
[/CIF]
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The crystal structure described by K2Zn3O4 crystallizes in the monoclinic C2/c space group. K(1) is bonded in a 6-coordinate geometry to three equivalent O(1) and three equivalent O(2) atoms. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a distorted rectangular see-saw-like geometry to four equivalent O(1) atoms. In the second Zn site, Zn(2) is bonded to one O(1) and three equivalent O(2) atoms to form a mixture of corner and edge-sharing ZnO4 tetrahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to three equivalent K(1), one Zn(2), and two equivalent Zn(1) atoms. In the second O site, O(2) is bonded in a 6-coordinate geometry to three equivalent K(1) and three equivalent Zn(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_K2Zn3O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.720
_cell_length_b   6.365
_cell_length_c   8.030
_cell_angle_alpha   113.351
_cell_angle_beta   101.739
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   261.748
_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
  K  K0  1  0.513  0.760  0.763  1.0
  K  K1  1  0.987  0.997  0.237  1.0
  K  K2  1  0.487  0.240  0.237  1.0
  K  K3  1  0.013  0.003  0.763  1.0
  Zn  Zn4  1  0.250  0.520  0.000  1.0
  Zn  Zn5  1  0.750  0.480  0.000  1.0
  Zn  Zn6  1  0.086  0.574  0.382  1.0
  Zn  Zn7  1  0.414  0.191  0.618  1.0
  Zn  Zn8  1  0.914  0.426  0.618  1.0
  Zn  Zn9  1  0.586  0.809  0.382  1.0
  O  O10  1  0.956  0.621  0.884  1.0
  O  O11  1  0.544  0.737  0.116  1.0
  O  O12  1  0.044  0.379  0.116  1.0
  O  O13  1  0.456  0.263  0.884  1.0
  O  O14  1  0.284  0.860  0.472  1.0
  O  O15  1  0.216  0.388  0.528  1.0
  O  O16  1  0.716  0.140  0.528  1.0
  O  O17  1  0.784  0.612  0.472  1.0
[/CIF]
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