The compound described by Sr4BiO7 is Orthorhombic Perovskite-like structured and crystallizes in the monoclinic P2_1 space group. There are four inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to one O(5), one O(6), two equivalent O(1), and two equivalent O(2) atoms to form distorted SrO6 pentagonal pyramids that share corners with three equivalent Bi(1)O6 octahedra, edges with two equivalent Sr(1)O6 pentagonal pyramids, and  a faceface with one Bi(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-12°. In the second Sr site, Sr(2) is bonded in a 7-coordinate geometry to one O(1), one O(3), one O(7), two equivalent O(2), and two equivalent O(6) atoms. In the third Sr site, Sr(3) is bonded in a 8-coordinate geometry to one O(5), one O(6), two equivalent O(3), two equivalent O(4), and two equivalent O(7) atoms. In the fourth Sr site, Sr(4) is bonded in a 7-coordinate geometry to one O(1), one O(3), one O(7), two equivalent O(4), and two equivalent O(5) atoms. Bi(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form BiO6 octahedra that share corners with three equivalent Sr(1)O6 pentagonal pyramids and  a faceface with one Sr(1)O6 pentagonal pyramid. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Sr(2), one Sr(4), two equivalent Sr(1), and one Bi(1) atom. In the second O site, O(2) is bonded to two equivalent Sr(1), two equivalent Sr(2), and one Bi(1) atom to form a mixture of distorted corner, face, and edge-sharing OSr4Bi square pyramids. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Sr(2), one Sr(4), two equivalent Sr(3), and one Bi(1) atom. In the fourth O site, O(4) is bonded to two equivalent Sr(3), two equivalent Sr(4), and one Bi(1) atom to form a mixture of distorted corner, face, and edge-sharing OSr4Bi square pyramids. In the fifth O site, O(5) is bonded to one Sr(1), one Sr(3), two equivalent Sr(4), and one Bi(1) atom to form a mixture of distorted corner, face, and edge-sharing OSr4Bi trigonal bipyramids. In the sixth O site, O(6) is bonded to one Sr(1), one Sr(3), two equivalent Sr(2), and one Bi(1) atom to form a mixture of distorted corner, face, and edge-sharing OSr4Bi square pyramids. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Sr(2), one Sr(4), and two equivalent Sr(3) atoms. is represented by the CIF file [CIF]
data_Sr4BiO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.188
_cell_length_b   7.049
_cell_length_c   9.422
_cell_angle_alpha   101.260
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   403.073
_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
  Sr  Sr0  1  0.168  0.611  0.075  1.0
  Sr  Sr1  1  0.668  0.389  0.925  1.0
  Sr  Sr2  1  0.640  0.011  0.126  1.0
  Sr  Sr3  1  0.140  0.989  0.874  1.0
  Sr  Sr4  1  0.167  0.909  0.441  1.0
  Sr  Sr5  1  0.667  0.091  0.559  1.0
  Sr  Sr6  1  0.174  0.492  0.611  1.0
  Sr  Sr7  1  0.674  0.508  0.389  1.0
  Bi  Bi8  1  0.158  0.256  0.246  1.0
  Bi  Bi9  1  0.658  0.744  0.754  1.0
  O  O10  1  0.414  0.316  0.105  1.0
  O  O11  1  0.914  0.684  0.895  1.0
  O  O12  1  0.937  0.287  0.079  1.0
  O  O13  1  0.437  0.713  0.921  1.0
  O  O14  1  0.892  0.187  0.373  1.0
  O  O15  1  0.392  0.813  0.627  1.0
  O  O16  1  0.379  0.238  0.417  1.0
  O  O17  1  0.879  0.762  0.583  1.0
  O  O18  1  0.121  0.558  0.338  1.0
  O  O19  1  0.621  0.442  0.662  1.0
  O  O20  1  0.198  0.956  0.162  1.0
  O  O21  1  0.698  0.044  0.838  1.0
  O  O22  1  0.108  0.183  0.687  1.0
  O  O23  1  0.608  0.817  0.313  1.0
[/CIF]
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The compound described by Sr4BiO7 is Orthorhombic Perovskite-like structured and crystallizes in the monoclinic P2_1 space group. There are four inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to one O(5), one O(6), two equivalent O(1), and two equivalent O(2) atoms to form distorted SrO6 pentagonal pyramids that share corners with three equivalent Bi(1)O6 octahedra, edges with two equivalent Sr(1)O6 pentagonal pyramids, and  a faceface with one Bi(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-12°. In the second Sr site, Sr(2) is bonded in a 7-coordinate geometry to one O(1), one O(3), one O(7), two equivalent O(2), and two equivalent O(6) atoms. In the third Sr site, Sr(3) is bonded in a 8-coordinate geometry to one O(5), one O(6), two equivalent O(3), two equivalent O(4), and two equivalent O(7) atoms. In the fourth Sr site, Sr(4) is bonded in a 7-coordinate geometry to one O(1), one O(3), one O(7), two equivalent O(4), and two equivalent O(5) atoms. Bi(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form BiO6 octahedra that share corners with three equivalent Sr(1)O6 pentagonal pyramids and  a faceface with one Sr(1)O6 pentagonal pyramid. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Sr(2), one Sr(4), two equivalent Sr(1), and one Bi(1) atom. In the second O site, O(2) is bonded to two equivalent Sr(1), two equivalent Sr(2), and one Bi(1) atom to form a mixture of distorted corner, face, and edge-sharing OSr4Bi square pyramids. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Sr(2), one Sr(4), two equivalent Sr(3), and one Bi(1) atom. In the fourth O site, O(4) is bonded to two equivalent Sr(3), two equivalent Sr(4), and one Bi(1) atom to form a mixture of distorted corner, face, and edge-sharing OSr4Bi square pyramids. In the fifth O site, O(5) is bonded to one Sr(1), one Sr(3), two equivalent Sr(4), and one Bi(1) atom to form a mixture of distorted corner, face, and edge-sharing OSr4Bi trigonal bipyramids. In the sixth O site, O(6) is bonded to one Sr(1), one Sr(3), two equivalent Sr(2), and one Bi(1) atom to form a mixture of distorted corner, face, and edge-sharing OSr4Bi square pyramids. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Sr(2), one Sr(4), and two equivalent Sr(3) atoms. is represented by the CIF file [CIF]
data_Sr4BiO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.188
_cell_length_b   7.049
_cell_length_c   9.422
_cell_angle_alpha   101.260
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   403.073
_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
  Sr  Sr0  1  0.168  0.611  0.075  1.0
  Sr  Sr1  1  0.668  0.389  0.925  1.0
  Sr  Sr2  1  0.640  0.011  0.126  1.0
  Sr  Sr3  1  0.140  0.989  0.874  1.0
  Sr  Sr4  1  0.167  0.909  0.441  1.0
  Sr  Sr5  1  0.667  0.091  0.559  1.0
  Sr  Sr6  1  0.174  0.492  0.611  1.0
  Sr  Sr7  1  0.674  0.508  0.389  1.0
  Bi  Bi8  1  0.158  0.256  0.246  1.0
  Bi  Bi9  1  0.658  0.744  0.754  1.0
  O  O10  1  0.414  0.316  0.105  1.0
  O  O11  1  0.914  0.684  0.895  1.0
  O  O12  1  0.937  0.287  0.079  1.0
  O  O13  1  0.437  0.713  0.921  1.0
  O  O14  1  0.892  0.187  0.373  1.0
  O  O15  1  0.392  0.813  0.627  1.0
  O  O16  1  0.379  0.238  0.417  1.0
  O  O17  1  0.879  0.762  0.583  1.0
  O  O18  1  0.121  0.558  0.338  1.0
  O  O19  1  0.621  0.442  0.662  1.0
  O  O20  1  0.198  0.956  0.162  1.0
  O  O21  1  0.698  0.044  0.838  1.0
  O  O22  1  0.108  0.183  0.687  1.0
  O  O23  1  0.608  0.817  0.313  1.0
[/CIF]
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