The material described by SrBi(PO4)2 crystallizes in the triclinic P-1 space group. Sr(1) is bonded in a 8-coordinate geometry to one O(2), one O(3), one O(4), one O(8), two equivalent O(1), and two equivalent O(6) atoms. Bi(1) is bonded in a 7-coordinate geometry to one O(3), one O(4), one O(5), two equivalent O(7), and two equivalent O(8) atoms. There are two inequivalent P sites. In the first P site, P(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(7) atom. In the second P site, P(2) is bonded in a tetrahedral geometry to one O(4), one O(5), one O(6), and one O(8) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to two equivalent Sr(1) and one P(1) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Sr(1) and one P(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Sr(1), one Bi(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Sr(1), one Bi(1), and one P(2) atom. In the fifth O site, O(5) is bonded in a distorted L-shaped geometry to one Bi(1) and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to two equivalent Sr(1) and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to two equivalent Bi(1) and one P(1) atom. In the eighth O site, O(8) is bonded in a distorted single-bond geometry to one Sr(1), two equivalent Bi(1), and one P(2) atom. is represented by the CIF file [CIF]
data_SrBi(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.518
_cell_length_b   7.225
_cell_length_c   9.745
_cell_angle_alpha   106.944
_cell_angle_beta   97.787
_cell_angle_gamma   97.707
_symmetry_Int_Tables_number   1
_cell_volume   361.961
_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  0.239  0.804  0.061  1.0
  Sr  Sr1  1  0.761  0.196  0.939  1.0
  Bi  Bi2  1  0.678  0.799  0.558  1.0
  Bi  Bi3  1  0.322  0.201  0.442  1.0
  P  P4  1  0.361  0.394  0.201  1.0
  P  P5  1  0.639  0.606  0.799  1.0
  P  P6  1  0.811  0.018  0.285  1.0
  P  P7  1  0.189  0.982  0.715  1.0
  O  O8  1  0.848  0.550  0.892  1.0
  O  O9  1  0.590  0.440  0.134  1.0
  O  O10  1  0.698  0.825  0.804  1.0
  O  O11  1  0.971  0.093  0.688  1.0
  O  O12  1  0.410  0.560  0.866  1.0
  O  O13  1  0.085  0.761  0.621  1.0
  O  O14  1  0.915  0.239  0.379  1.0
  O  O15  1  0.271  0.014  0.879  1.0
  O  O16  1  0.302  0.175  0.196  1.0
  O  O17  1  0.729  0.986  0.121  1.0
  O  O18  1  0.152  0.450  0.108  1.0
  O  O19  1  0.399  0.510  0.366  1.0
  O  O20  1  0.601  0.490  0.634  1.0
  O  O21  1  0.580  0.944  0.347  1.0
  O  O22  1  0.029  0.907  0.312  1.0
  O  O23  1  0.420  0.056  0.653  1.0
[/CIF]
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The material described by SrBi(PO4)2 crystallizes in the triclinic P-1 space group. Sr(1) is bonded in a 8-coordinate geometry to one O(2), one O(3), one O(4), one O(8), two equivalent O(1), and two equivalent O(6) atoms. Bi(1) is bonded in a 7-coordinate geometry to one O(3), one O(4), one O(5), two equivalent O(7), and two equivalent O(8) atoms. There are two inequivalent P sites. In the first P site, P(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(7) atom. In the second P site, P(2) is bonded in a tetrahedral geometry to one O(4), one O(5), one O(6), and one O(8) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to two equivalent Sr(1) and one P(1) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Sr(1) and one P(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Sr(1), one Bi(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Sr(1), one Bi(1), and one P(2) atom. In the fifth O site, O(5) is bonded in a distorted L-shaped geometry to one Bi(1) and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to two equivalent Sr(1) and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to two equivalent Bi(1) and one P(1) atom. In the eighth O site, O(8) is bonded in a distorted single-bond geometry to one Sr(1), two equivalent Bi(1), and one P(2) atom. is represented by the CIF file [CIF]
data_SrBi(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.518
_cell_length_b   7.225
_cell_length_c   9.745
_cell_angle_alpha   106.944
_cell_angle_beta   97.787
_cell_angle_gamma   97.707
_symmetry_Int_Tables_number   1
_cell_volume   361.961
_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  0.239  0.804  0.061  1.0
  Sr  Sr1  1  0.761  0.196  0.939  1.0
  Bi  Bi2  1  0.678  0.799  0.558  1.0
  Bi  Bi3  1  0.322  0.201  0.442  1.0
  P  P4  1  0.361  0.394  0.201  1.0
  P  P5  1  0.639  0.606  0.799  1.0
  P  P6  1  0.811  0.018  0.285  1.0
  P  P7  1  0.189  0.982  0.715  1.0
  O  O8  1  0.848  0.550  0.892  1.0
  O  O9  1  0.590  0.440  0.134  1.0
  O  O10  1  0.698  0.825  0.804  1.0
  O  O11  1  0.971  0.093  0.688  1.0
  O  O12  1  0.410  0.560  0.866  1.0
  O  O13  1  0.085  0.761  0.621  1.0
  O  O14  1  0.915  0.239  0.379  1.0
  O  O15  1  0.271  0.014  0.879  1.0
  O  O16  1  0.302  0.175  0.196  1.0
  O  O17  1  0.729  0.986  0.121  1.0
  O  O18  1  0.152  0.450  0.108  1.0
  O  O19  1  0.399  0.510  0.366  1.0
  O  O20  1  0.601  0.490  0.634  1.0
  O  O21  1  0.580  0.944  0.347  1.0
  O  O22  1  0.029  0.907  0.312  1.0
  O  O23  1  0.420  0.056  0.653  1.0
[/CIF]
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