The compound described by Sr4Bi2O is (La,Ba)CuO4 structured and crystallizes in the tetragonal I4mm space group. There are three inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a distorted single-bond geometry to one Bi(1), four equivalent Bi(2), and one O(1) atom. In the second Sr site, Sr(2) is bonded to one Bi(2), four equivalent Bi(1), and one O(1) atom to form a mixture of distorted edge and corner-sharing SrBi5O octahedra. The corner-sharing octahedral tilt angles are 18°. In the third Sr site, Sr(3) is bonded in a linear geometry to two equivalent Bi(1), two equivalent Bi(2), and two equivalent O(1) atoms. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 9-coordinate geometry to one Sr(1), four equivalent Sr(2), and four equivalent Sr(3) atoms. In the second Bi site, Bi(2) is bonded in a 9-coordinate geometry to one Sr(2), four equivalent Sr(1), and four equivalent Sr(3) atoms. O(1) is bonded to one Sr(1), one Sr(2), and four equivalent Sr(3) atoms to form corner-sharing OSr6 octahedra. The corner-sharing octahedral tilt angles are 6°. is represented by the CIF file [CIF]
data_Sr4Bi2O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.516
_cell_length_b   9.516
_cell_length_c   9.516
_cell_angle_alpha   149.349
_cell_angle_beta   149.349
_cell_angle_gamma   43.897
_symmetry_Int_Tables_number   1
_cell_volume   223.312
_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
  Sr  Sr0  1  0.835  0.835  0.000  1.0
  Sr  Sr1  1  0.170  0.170  0.000  1.0
  Sr  Sr2  1  0.998  0.498  0.500  1.0
  Sr  Sr3  1  0.498  0.998  0.500  1.0
  Bi  Bi4  1  0.638  0.638  0.000  1.0
  Bi  Bi5  1  0.360  0.360  0.000  1.0
  O  O6  1  0.990  0.990  0.000  1.0
[/CIF]
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The compound described by Sr4Bi2O is (La,Ba)CuO4 structured and crystallizes in the tetragonal I4mm space group. There are three inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a distorted single-bond geometry to one Bi(1), four equivalent Bi(2), and one O(1) atom. In the second Sr site, Sr(2) is bonded to one Bi(2), four equivalent Bi(1), and one O(1) atom to form a mixture of distorted edge and corner-sharing SrBi5O octahedra. The corner-sharing octahedral tilt angles are 18°. In the third Sr site, Sr(3) is bonded in a linear geometry to two equivalent Bi(1), two equivalent Bi(2), and two equivalent O(1) atoms. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 9-coordinate geometry to one Sr(1), four equivalent Sr(2), and four equivalent Sr(3) atoms. In the second Bi site, Bi(2) is bonded in a 9-coordinate geometry to one Sr(2), four equivalent Sr(1), and four equivalent Sr(3) atoms. O(1) is bonded to one Sr(1), one Sr(2), and four equivalent Sr(3) atoms to form corner-sharing OSr6 octahedra. The corner-sharing octahedral tilt angles are 6°. is represented by the CIF file [CIF]
data_Sr4Bi2O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.516
_cell_length_b   9.516
_cell_length_c   9.516
_cell_angle_alpha   149.349
_cell_angle_beta   149.349
_cell_angle_gamma   43.897
_symmetry_Int_Tables_number   1
_cell_volume   223.312
_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
  Sr  Sr0  1  0.835  0.835  0.000  1.0
  Sr  Sr1  1  0.170  0.170  0.000  1.0
  Sr  Sr2  1  0.998  0.498  0.500  1.0
  Sr  Sr3  1  0.498  0.998  0.500  1.0
  Bi  Bi4  1  0.638  0.638  0.000  1.0
  Bi  Bi5  1  0.360  0.360  0.000  1.0
  O  O6  1  0.990  0.990  0.000  1.0
[/CIF]
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