The crystal structure described by Ba2Ag2Zn(SeO)2 crystallizes in the orthorhombic Cmce space group. Ba(1) is bonded in a 8-coordinate geometry to four equivalent Se(1) and four equivalent O(1) atoms. Ag(1) is bonded to four equivalent Se(1) atoms to form a mixture of distorted corner and edge-sharing AgSe4 tetrahedra. Zn(1) is bonded in a distorted square co-planar geometry to four equivalent O(1) atoms. Se(1) is bonded in a 8-coordinate geometry to four equivalent Ba(1) and four equivalent Ag(1) atoms. O(1) is bonded to four equivalent Ba(1) and two equivalent Zn(1) atoms to form a mixture of distorted face, corner, and edge-sharing OBa4Zn2 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF card [CIF]
data_Ba2ZnAg2(SeO)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.486
_cell_length_b   10.486
_cell_length_c   6.182
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   145.839
_symmetry_Int_Tables_number   1
_cell_volume   381.665
_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
  Ba  Ba0  1  0.911  0.089  0.500  1.0
  Ba  Ba1  1  0.411  0.589  0.000  1.0
  Ba  Ba2  1  0.589  0.411  0.000  1.0
  Ba  Ba3  1  0.089  0.911  0.500  1.0
  Zn  Zn4  1  0.000  0.000  0.000  1.0
  Zn  Zn5  1  0.500  0.500  0.500  1.0
  Ag  Ag6  1  0.998  0.498  0.750  1.0
  Ag  Ag7  1  0.502  0.002  0.250  1.0
  Ag  Ag8  1  0.498  0.998  0.750  1.0
  Ag  Ag9  1  0.002  0.502  0.250  1.0
  Se  Se10  1  0.663  0.337  0.500  1.0
  Se  Se11  1  0.163  0.837  0.000  1.0
  Se  Se12  1  0.837  0.163  0.000  1.0
  Se  Se13  1  0.337  0.663  0.500  1.0
  O  O14  1  0.787  0.787  0.217  1.0
  O  O15  1  0.213  0.213  0.783  1.0
  O  O16  1  0.287  0.287  0.283  1.0
  O  O17  1  0.713  0.713  0.717  1.0
[/CIF]
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The crystal structure described by Ba2Ag2Zn(SeO)2 crystallizes in the orthorhombic Cmce space group. Ba(1) is bonded in a 8-coordinate geometry to four equivalent Se(1) and four equivalent O(1) atoms. Ag(1) is bonded to four equivalent Se(1) atoms to form a mixture of distorted corner and edge-sharing AgSe4 tetrahedra. Zn(1) is bonded in a distorted square co-planar geometry to four equivalent O(1) atoms. Se(1) is bonded in a 8-coordinate geometry to four equivalent Ba(1) and four equivalent Ag(1) atoms. O(1) is bonded to four equivalent Ba(1) and two equivalent Zn(1) atoms to form a mixture of distorted face, corner, and edge-sharing OBa4Zn2 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF card [CIF]
data_Ba2ZnAg2(SeO)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.486
_cell_length_b   10.486
_cell_length_c   6.182
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   145.839
_symmetry_Int_Tables_number   1
_cell_volume   381.665
_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
  Ba  Ba0  1  0.911  0.089  0.500  1.0
  Ba  Ba1  1  0.411  0.589  0.000  1.0
  Ba  Ba2  1  0.589  0.411  0.000  1.0
  Ba  Ba3  1  0.089  0.911  0.500  1.0
  Zn  Zn4  1  0.000  0.000  0.000  1.0
  Zn  Zn5  1  0.500  0.500  0.500  1.0
  Ag  Ag6  1  0.998  0.498  0.750  1.0
  Ag  Ag7  1  0.502  0.002  0.250  1.0
  Ag  Ag8  1  0.498  0.998  0.750  1.0
  Ag  Ag9  1  0.002  0.502  0.250  1.0
  Se  Se10  1  0.663  0.337  0.500  1.0
  Se  Se11  1  0.163  0.837  0.000  1.0
  Se  Se12  1  0.837  0.163  0.000  1.0
  Se  Se13  1  0.337  0.663  0.500  1.0
  O  O14  1  0.787  0.787  0.217  1.0
  O  O15  1  0.213  0.213  0.783  1.0
  O  O16  1  0.287  0.287  0.283  1.0
  O  O17  1  0.713  0.713  0.717  1.0
[/CIF]
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