The material described by BaTiO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure consists of one 7440-32-6 atom inside a BaO3 framework. In the BaO3 framework, Ba(1) is bonded to six equivalent O(1) atoms to form corner-sharing BaO6 octahedra. The corner-sharing octahedra are not tilted. O(1) is bonded in a linear geometry to two equivalent Ba(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaTiO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.649
_cell_length_b   4.649
_cell_length_c   4.649
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   100.489
_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
  Ti  Ti1  1  0.500  0.500  0.500  1.0
  O  O2  1  0.500  0.000  0.000  1.0
  O  O3  1  0.000  0.000  0.500  1.0
  O  O4  1  0.000  0.500  0.000  1.0
[/CIF]
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The material described by BaTiO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure consists of one 7440-32-6 atom inside a BaO3 framework. In the BaO3 framework, Ba(1) is bonded to six equivalent O(1) atoms to form corner-sharing BaO6 octahedra. The corner-sharing octahedra are not tilted. O(1) is bonded in a linear geometry to two equivalent Ba(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaTiO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.649
_cell_length_b   4.649
_cell_length_c   4.649
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   100.489
_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
  Ti  Ti1  1  0.500  0.500  0.500  1.0
  O  O2  1  0.500  0.000  0.000  1.0
  O  O3  1  0.000  0.000  0.500  1.0
  O  O4  1  0.000  0.500  0.000  1.0
[/CIF]
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