The structure described by Sr5(BiO4)3 crystallizes in the triclinic P-1 space group. There are three inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form SrO6 octahedra that share corners with two equivalent Bi(3)O6 octahedra and corners with four equivalent Bi(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 33-36°. In the second Sr site, Sr(2) is bonded in a 8-coordinate geometry to one O(1), one O(4), one O(5), one O(6), two equivalent O(2), and two equivalent O(3) atoms. In the third Sr site, Sr(3) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(3), one O(6), two equivalent O(4), and two equivalent O(5) atoms. There are three inequivalent Bi sites. In the first Bi site, Bi(1) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form corner-sharing BiO6 octahedra. The corner-sharing octahedral tilt angles range from 30-35°. In the second Bi site, Bi(2) is bonded to two equivalent O(3), two equivalent O(5), and two equivalent O(6) atoms to form BiO6 octahedra that share corners with two equivalent Bi(1)O6 octahedra and corners with four equivalent Sr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 33-35°. In the third Bi site, Bi(3) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form BiO6 octahedra that share corners with two equivalent Sr(1)O6 octahedra and corners with four equivalent Bi(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 30-36°. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Sr(1), one Sr(2), one Sr(3), and one Bi(3) atom to form distorted OSr3Bi tetrahedra that share corners with two equivalent O(6)Sr2Bi2 tetrahedra and corners with two equivalent O(1)Sr3Bi tetrahedra. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Sr(3), two equivalent Sr(2), one Bi(1), and one Bi(3) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Sr(1), one Sr(3), two equivalent Sr(2), and one Bi(2) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Sr(2), two equivalent Sr(3), one Bi(1), and one Bi(3) atom. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Sr(1), one Sr(2), two equivalent Sr(3), and one Bi(2) atom. In the sixth O site, O(6) is bonded to one Sr(2), one Sr(3), one Bi(1), and one Bi(2) atom to form distorted OSr2Bi2 tetrahedra that share corners with two equivalent O(6)Sr2Bi2 tetrahedra and corners with two equivalent O(1)Sr3Bi tetrahedra. is represented by the CIF card [CIF]
data_Sr5(BiO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.962
_cell_length_b   6.135
_cell_length_c   8.505
_cell_angle_alpha   90.288
_cell_angle_beta   89.834
_cell_angle_gamma   90.012
_symmetry_Int_Tables_number   1
_cell_volume   311.080
_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  0.000  0.000  0.000  1.0
  Sr  Sr1  1  0.015  0.448  0.757  1.0
  Sr  Sr2  1  0.489  0.951  0.755  1.0
  Sr  Sr3  1  0.511  0.049  0.245  1.0
  Sr  Sr4  1  0.985  0.552  0.243  1.0
  Bi  Bi5  1  0.500  0.500  0.500  1.0
  Bi  Bi6  1  0.500  0.500  0.000  1.0
  Bi  Bi7  1  0.000  0.000  0.500  1.0
  O  O8  1  0.106  0.957  0.271  1.0
  O  O9  1  0.209  0.717  0.563  1.0
  O  O10  1  0.212  0.676  0.953  1.0
  O  O11  1  0.287  0.211  0.556  1.0
  O  O12  1  0.329  0.213  0.948  1.0
  O  O13  1  0.396  0.459  0.251  1.0
  O  O14  1  0.604  0.541  0.749  1.0
  O  O15  1  0.671  0.787  0.052  1.0
  O  O16  1  0.713  0.789  0.444  1.0
  O  O17  1  0.788  0.324  0.047  1.0
  O  O18  1  0.791  0.283  0.437  1.0
  O  O19  1  0.894  0.043  0.729  1.0
[/CIF]
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The structure described by Sr5(BiO4)3 crystallizes in the triclinic P-1 space group. There are three inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form SrO6 octahedra that share corners with two equivalent Bi(3)O6 octahedra and corners with four equivalent Bi(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 33-36°. In the second Sr site, Sr(2) is bonded in a 8-coordinate geometry to one O(1), one O(4), one O(5), one O(6), two equivalent O(2), and two equivalent O(3) atoms. In the third Sr site, Sr(3) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(3), one O(6), two equivalent O(4), and two equivalent O(5) atoms. There are three inequivalent Bi sites. In the first Bi site, Bi(1) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form corner-sharing BiO6 octahedra. The corner-sharing octahedral tilt angles range from 30-35°. In the second Bi site, Bi(2) is bonded to two equivalent O(3), two equivalent O(5), and two equivalent O(6) atoms to form BiO6 octahedra that share corners with two equivalent Bi(1)O6 octahedra and corners with four equivalent Sr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 33-35°. In the third Bi site, Bi(3) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form BiO6 octahedra that share corners with two equivalent Sr(1)O6 octahedra and corners with four equivalent Bi(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 30-36°. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Sr(1), one Sr(2), one Sr(3), and one Bi(3) atom to form distorted OSr3Bi tetrahedra that share corners with two equivalent O(6)Sr2Bi2 tetrahedra and corners with two equivalent O(1)Sr3Bi tetrahedra. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Sr(3), two equivalent Sr(2), one Bi(1), and one Bi(3) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Sr(1), one Sr(3), two equivalent Sr(2), and one Bi(2) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Sr(2), two equivalent Sr(3), one Bi(1), and one Bi(3) atom. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Sr(1), one Sr(2), two equivalent Sr(3), and one Bi(2) atom. In the sixth O site, O(6) is bonded to one Sr(2), one Sr(3), one Bi(1), and one Bi(2) atom to form distorted OSr2Bi2 tetrahedra that share corners with two equivalent O(6)Sr2Bi2 tetrahedra and corners with two equivalent O(1)Sr3Bi tetrahedra. is represented by the CIF card [CIF]
data_Sr5(BiO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.962
_cell_length_b   6.135
_cell_length_c   8.505
_cell_angle_alpha   90.288
_cell_angle_beta   89.834
_cell_angle_gamma   90.012
_symmetry_Int_Tables_number   1
_cell_volume   311.080
_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  0.000  0.000  0.000  1.0
  Sr  Sr1  1  0.015  0.448  0.757  1.0
  Sr  Sr2  1  0.489  0.951  0.755  1.0
  Sr  Sr3  1  0.511  0.049  0.245  1.0
  Sr  Sr4  1  0.985  0.552  0.243  1.0
  Bi  Bi5  1  0.500  0.500  0.500  1.0
  Bi  Bi6  1  0.500  0.500  0.000  1.0
  Bi  Bi7  1  0.000  0.000  0.500  1.0
  O  O8  1  0.106  0.957  0.271  1.0
  O  O9  1  0.209  0.717  0.563  1.0
  O  O10  1  0.212  0.676  0.953  1.0
  O  O11  1  0.287  0.211  0.556  1.0
  O  O12  1  0.329  0.213  0.948  1.0
  O  O13  1  0.396  0.459  0.251  1.0
  O  O14  1  0.604  0.541  0.749  1.0
  O  O15  1  0.671  0.787  0.052  1.0
  O  O16  1  0.713  0.789  0.444  1.0
  O  O17  1  0.788  0.324  0.047  1.0
  O  O18  1  0.791  0.283  0.437  1.0
  O  O19  1  0.894  0.043  0.729  1.0
[/CIF]
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