The crystal structure described by Ba2Zn3(AsO)2 crystallizes in the tetragonal I4/mmm space group. Ba(1) is bonded in a 4-coordinate geometry to four equivalent As(1) and four equivalent O(1) atoms. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a square co-planar geometry to four equivalent O(1) atoms. In the second Zn site, Zn(2) is bonded to four equivalent As(1) atoms to form a mixture of corner and edge-sharing ZnAs4 tetrahedra. As(1) is bonded in a 8-coordinate geometry to four equivalent Ba(1) and four equivalent Zn(2) atoms. O(1) is bonded to four equivalent Ba(1) and two equivalent Zn(1) atoms to form a mixture of corner, edge, and face-sharing OBa4Zn2 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF file [CIF]
data_Ba2Zn3(AsO)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.224
_cell_length_b   4.224
_cell_length_c   10.505
_cell_angle_alpha   101.599
_cell_angle_beta   101.599
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   179.735
_cell_formula_units_Z   1
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  0.589  0.589  0.178  1.0
  Ba  Ba1  1  0.411  0.411  0.822  1.0
  Zn  Zn2  1  0.000  0.000  0.000  1.0
  Zn  Zn3  1  0.750  0.250  0.500  1.0
  Zn  Zn4  1  0.250  0.750  0.500  1.0
  As  As5  1  0.175  0.175  0.350  1.0
  As  As6  1  0.825  0.825  0.650  1.0
  O  O7  1  0.000  0.500  0.000  1.0
  O  O8  1  0.500  0.000  0.000  1.0
[/CIF]
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The crystal structure described by Ba2Zn3(AsO)2 crystallizes in the tetragonal I4/mmm space group. Ba(1) is bonded in a 4-coordinate geometry to four equivalent As(1) and four equivalent O(1) atoms. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a square co-planar geometry to four equivalent O(1) atoms. In the second Zn site, Zn(2) is bonded to four equivalent As(1) atoms to form a mixture of corner and edge-sharing ZnAs4 tetrahedra. As(1) is bonded in a 8-coordinate geometry to four equivalent Ba(1) and four equivalent Zn(2) atoms. O(1) is bonded to four equivalent Ba(1) and two equivalent Zn(1) atoms to form a mixture of corner, edge, and face-sharing OBa4Zn2 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF file [CIF]
data_Ba2Zn3(AsO)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.224
_cell_length_b   4.224
_cell_length_c   10.505
_cell_angle_alpha   101.599
_cell_angle_beta   101.599
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   179.735
_cell_formula_units_Z   1
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  0.589  0.589  0.178  1.0
  Ba  Ba1  1  0.411  0.411  0.822  1.0
  Zn  Zn2  1  0.000  0.000  0.000  1.0
  Zn  Zn3  1  0.750  0.250  0.500  1.0
  Zn  Zn4  1  0.250  0.750  0.500  1.0
  As  As5  1  0.175  0.175  0.350  1.0
  As  As6  1  0.825  0.825  0.650  1.0
  O  O7  1  0.000  0.500  0.000  1.0
  O  O8  1  0.500  0.000  0.000  1.0
[/CIF]
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