The crystal structure described by BaZnBi2 is Parent of FeAs superconductors-derived structured and crystallizes in the tetragonal I4/mmm space group. Ba(1) is bonded in a 8-coordinate geometry to four equivalent Bi(1) and four equivalent Bi(2) atoms. Zn(1) is bonded to four equivalent Bi(2) atoms to form a mixture of edge and corner-sharing ZnBi4 tetrahedra. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a distorted body-centered cubic geometry to four equivalent Ba(1) and four equivalent Bi(1) atoms. In the second Bi site, Bi(2) is bonded in a 8-coordinate geometry to four equivalent Ba(1) and four equivalent Zn(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaZnBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.682
_cell_length_b   4.682
_cell_length_c   12.574
_cell_angle_alpha   100.730
_cell_angle_beta   100.730
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   265.931
_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  0.881  0.881  0.762  1.0
  Ba  Ba1  1  0.119  0.119  0.238  1.0
  Zn  Zn2  1  0.250  0.750  0.500  1.0
  Zn  Zn3  1  0.750  0.250  0.500  1.0
  Bi  Bi4  1  0.000  0.500  0.000  1.0
  Bi  Bi5  1  0.680  0.680  0.359  1.0
  Bi  Bi6  1  0.500  0.000  0.000  1.0
  Bi  Bi7  1  0.320  0.320  0.641  1.0
[/CIF]
.
The crystal structure described by BaZnBi2 is Parent of FeAs superconductors-derived structured and crystallizes in the tetragonal I4/mmm space group. Ba(1) is bonded in a 8-coordinate geometry to four equivalent Bi(1) and four equivalent Bi(2) atoms. Zn(1) is bonded to four equivalent Bi(2) atoms to form a mixture of edge and corner-sharing ZnBi4 tetrahedra. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a distorted body-centered cubic geometry to four equivalent Ba(1) and four equivalent Bi(1) atoms. In the second Bi site, Bi(2) is bonded in a 8-coordinate geometry to four equivalent Ba(1) and four equivalent Zn(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaZnBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.682
_cell_length_b   4.682
_cell_length_c   12.574
_cell_angle_alpha   100.730
_cell_angle_beta   100.730
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   265.931
_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  0.881  0.881  0.762  1.0
  Ba  Ba1  1  0.119  0.119  0.238  1.0
  Zn  Zn2  1  0.250  0.750  0.500  1.0
  Zn  Zn3  1  0.750  0.250  0.500  1.0
  Bi  Bi4  1  0.000  0.500  0.000  1.0
  Bi  Bi5  1  0.680  0.680  0.359  1.0
  Bi  Bi6  1  0.500  0.000  0.000  1.0
  Bi  Bi7  1  0.320  0.320  0.641  1.0
[/CIF]
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