The material described by Ba2Sr(PO4)2 crystallizes in the trigonal R-3m space group. Ba(1) is bonded in a 10-coordinate geometry to one O(2) and nine equivalent O(1) atoms. Sr(1) is bonded in a 6-coordinate geometry to six equivalent O(1) atoms. P(1) is bonded in a tetrahedral geometry to one O(2) and three equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to three equivalent Ba(1), one Sr(1), and one P(1) atom. In the second O site, O(2) is bonded in a distorted linear geometry to one Ba(1) and one P(1) atom. is represented by the CIF card [CIF]
data_Ba2Sr(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.739
_cell_length_b   7.739
_cell_length_c   7.739
_cell_angle_alpha   42.528
_cell_angle_beta   42.528
_cell_angle_gamma   42.528
_symmetry_Int_Tables_number   1
_cell_volume   191.748
_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  0.209  0.209  0.209  1.0
  Ba  Ba1  1  0.791  0.791  0.791  1.0
  Sr  Sr2  1  0.000  0.000  0.000  1.0
  P  P3  1  0.404  0.404  0.404  1.0
  P  P4  1  0.596  0.596  0.596  1.0
  O  O5  1  0.277  0.732  0.277  1.0
  O  O6  1  0.277  0.277  0.732  1.0
  O  O7  1  0.732  0.277  0.277  1.0
  O  O8  1  0.723  0.268  0.723  1.0
  O  O9  1  0.723  0.723  0.268  1.0
  O  O10  1  0.268  0.723  0.723  1.0
  O  O11  1  0.331  0.331  0.331  1.0
  O  O12  1  0.669  0.669  0.669  1.0
[/CIF]
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The material described by Ba2Sr(PO4)2 crystallizes in the trigonal R-3m space group. Ba(1) is bonded in a 10-coordinate geometry to one O(2) and nine equivalent O(1) atoms. Sr(1) is bonded in a 6-coordinate geometry to six equivalent O(1) atoms. P(1) is bonded in a tetrahedral geometry to one O(2) and three equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to three equivalent Ba(1), one Sr(1), and one P(1) atom. In the second O site, O(2) is bonded in a distorted linear geometry to one Ba(1) and one P(1) atom. is represented by the CIF card [CIF]
data_Ba2Sr(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.739
_cell_length_b   7.739
_cell_length_c   7.739
_cell_angle_alpha   42.528
_cell_angle_beta   42.528
_cell_angle_gamma   42.528
_symmetry_Int_Tables_number   1
_cell_volume   191.748
_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  0.209  0.209  0.209  1.0
  Ba  Ba1  1  0.791  0.791  0.791  1.0
  Sr  Sr2  1  0.000  0.000  0.000  1.0
  P  P3  1  0.404  0.404  0.404  1.0
  P  P4  1  0.596  0.596  0.596  1.0
  O  O5  1  0.277  0.732  0.277  1.0
  O  O6  1  0.277  0.277  0.732  1.0
  O  O7  1  0.732  0.277  0.277  1.0
  O  O8  1  0.723  0.268  0.723  1.0
  O  O9  1  0.723  0.723  0.268  1.0
  O  O10  1  0.268  0.723  0.723  1.0
  O  O11  1  0.331  0.331  0.331  1.0
  O  O12  1  0.669  0.669  0.669  1.0
[/CIF]
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