The crystal structure described by BaZn(SbO2)4 crystallizes in the trigonal P-31m space group. Ba(1) is bonded in a 6-coordinate geometry to six equivalent O(1) atoms. Zn(1) is bonded to six equivalent O(1) atoms to form ZnO6 octahedra that share corners with twelve equivalent Sb(1)O4 trigonal pyramids. Sb(1) is bonded to one O(2) and three equivalent O(1) atoms to form SbO4 trigonal pyramids that share corners with three equivalent Zn(1)O6 octahedra and corners with four equivalent Sb(1)O4 trigonal pyramids. The corner-sharing octahedral tilt angles are 61°. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Ba(1), one Zn(1), and two equivalent Sb(1) atoms to form a mixture of corner and edge-sharing OBaZnSb2 tetrahedra. In the second O site, O(2) is bonded in a linear geometry to two equivalent Sb(1) atoms. is represented by the CIF card [CIF]
data_BaZn(SbO2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.141
_cell_length_b   6.141
_cell_length_c   7.177
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   234.430
_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  0.000  0.000  0.000  1.0
  Zn  Zn1  1  0.000  0.000  0.500  1.0
  Sb  Sb2  1  0.333  0.667  0.718  1.0
  Sb  Sb3  1  0.667  0.333  0.718  1.0
  Sb  Sb4  1  0.333  0.667  0.282  1.0
  Sb  Sb5  1  0.667  0.333  0.282  1.0
  O  O6  1  0.288  0.288  0.703  1.0
  O  O7  1  0.712  0.000  0.703  1.0
  O  O8  1  0.000  0.712  0.703  1.0
  O  O9  1  0.712  0.712  0.297  1.0
  O  O10  1  0.000  0.288  0.297  1.0
  O  O11  1  0.288  0.000  0.297  1.0
  O  O12  1  0.333  0.667  0.000  1.0
  O  O13  1  0.667  0.333  0.000  1.0
[/CIF]
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The crystal structure described by BaZn(SbO2)4 crystallizes in the trigonal P-31m space group. Ba(1) is bonded in a 6-coordinate geometry to six equivalent O(1) atoms. Zn(1) is bonded to six equivalent O(1) atoms to form ZnO6 octahedra that share corners with twelve equivalent Sb(1)O4 trigonal pyramids. Sb(1) is bonded to one O(2) and three equivalent O(1) atoms to form SbO4 trigonal pyramids that share corners with three equivalent Zn(1)O6 octahedra and corners with four equivalent Sb(1)O4 trigonal pyramids. The corner-sharing octahedral tilt angles are 61°. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Ba(1), one Zn(1), and two equivalent Sb(1) atoms to form a mixture of corner and edge-sharing OBaZnSb2 tetrahedra. In the second O site, O(2) is bonded in a linear geometry to two equivalent Sb(1) atoms. is represented by the CIF card [CIF]
data_BaZn(SbO2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.141
_cell_length_b   6.141
_cell_length_c   7.177
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   234.430
_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  0.000  0.000  0.000  1.0
  Zn  Zn1  1  0.000  0.000  0.500  1.0
  Sb  Sb2  1  0.333  0.667  0.718  1.0
  Sb  Sb3  1  0.667  0.333  0.718  1.0
  Sb  Sb4  1  0.333  0.667  0.282  1.0
  Sb  Sb5  1  0.667  0.333  0.282  1.0
  O  O6  1  0.288  0.288  0.703  1.0
  O  O7  1  0.712  0.000  0.703  1.0
  O  O8  1  0.000  0.712  0.703  1.0
  O  O9  1  0.712  0.712  0.297  1.0
  O  O10  1  0.000  0.288  0.297  1.0
  O  O11  1  0.288  0.000  0.297  1.0
  O  O12  1  0.333  0.667  0.000  1.0
  O  O13  1  0.667  0.333  0.000  1.0
[/CIF]
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