The material structure described by BaBiO2I is lead oxide-derived structured and crystallizes in the orthorhombic Cmcm space group. Ba(1) is bonded in a 4-coordinate geometry to four equivalent O(1) and four equivalent I(1) atoms. Bi(1) is bonded to four equivalent O(1) atoms to form distorted edge-sharing BiO4 trigonal pyramids. O(1) is bonded to two equivalent Ba(1) and two equivalent Bi(1) atoms to form OBa2Bi2 tetrahedra that share corners with four equivalent O(1)Ba2Bi2 tetrahedra, corners with eight equivalent I(1)Ba4 tetrahedra, and edges with four equivalent O(1)Ba2Bi2 tetrahedra. I(1) is bonded to four equivalent Ba(1) atoms to form IBa4 tetrahedra that share corners with four equivalent I(1)Ba4 tetrahedra, corners with sixteen equivalent O(1)Ba2Bi2 tetrahedra, and edges with four equivalent I(1)Ba4 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaBiIO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.894
_cell_length_b   7.894
_cell_length_c   5.926
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   133.978
_symmetry_Int_Tables_number   1
_cell_volume   265.774
_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  0.601  0.399  0.750  1.0
  Ba  Ba1  1  0.399  0.601  0.250  1.0
  Bi  Bi2  1  0.067  0.933  0.250  1.0
  Bi  Bi3  1  0.933  0.067  0.750  1.0
  I  I4  1  0.252  0.748  0.750  1.0
  I  I5  1  0.748  0.252  0.250  1.0
  O  O6  1  0.776  0.776  0.500  1.0
  O  O7  1  0.224  0.224  0.500  1.0
  O  O8  1  0.224  0.224  0.000  1.0
  O  O9  1  0.776  0.776  0.000  1.0
[/CIF]
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The material structure described by BaBiO2I is lead oxide-derived structured and crystallizes in the orthorhombic Cmcm space group. Ba(1) is bonded in a 4-coordinate geometry to four equivalent O(1) and four equivalent I(1) atoms. Bi(1) is bonded to four equivalent O(1) atoms to form distorted edge-sharing BiO4 trigonal pyramids. O(1) is bonded to two equivalent Ba(1) and two equivalent Bi(1) atoms to form OBa2Bi2 tetrahedra that share corners with four equivalent O(1)Ba2Bi2 tetrahedra, corners with eight equivalent I(1)Ba4 tetrahedra, and edges with four equivalent O(1)Ba2Bi2 tetrahedra. I(1) is bonded to four equivalent Ba(1) atoms to form IBa4 tetrahedra that share corners with four equivalent I(1)Ba4 tetrahedra, corners with sixteen equivalent O(1)Ba2Bi2 tetrahedra, and edges with four equivalent I(1)Ba4 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaBiIO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.894
_cell_length_b   7.894
_cell_length_c   5.926
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   133.978
_symmetry_Int_Tables_number   1
_cell_volume   265.774
_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  0.601  0.399  0.750  1.0
  Ba  Ba1  1  0.399  0.601  0.250  1.0
  Bi  Bi2  1  0.067  0.933  0.250  1.0
  Bi  Bi3  1  0.933  0.067  0.750  1.0
  I  I4  1  0.252  0.748  0.750  1.0
  I  I5  1  0.748  0.252  0.250  1.0
  O  O6  1  0.776  0.776  0.500  1.0
  O  O7  1  0.224  0.224  0.500  1.0
  O  O8  1  0.224  0.224  0.000  1.0
  O  O9  1  0.776  0.776  0.000  1.0
[/CIF]
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