The structure described by Sr(PO3)4(Tl)2 crystallizes in the tetragonal I-4 space group. The structure consists of four 7440-28-0 atoms inside a Sr(PO3)4 framework. In the Sr(PO3)4 framework, Sr(1) is bonded in a 8-coordinate geometry to four equivalent O(2) and four equivalent O(3) atoms. P(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form corner-sharing PO4 tetrahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to two equivalent P(1) atoms. In the second O site, O(2) is bonded in a distorted single-bond 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) and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_SrTl2(PO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.395
_cell_length_b   7.395
_cell_length_c   7.395
_cell_angle_alpha   118.487
_cell_angle_beta   118.487
_cell_angle_gamma   92.642
_symmetry_Int_Tables_number   1
_cell_volume   292.162
_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
  Tl  Tl1  1  0.418  0.918  0.500  1.0
  Tl  Tl2  1  0.082  0.582  0.500  1.0
  P  P3  1  0.563  0.002  0.129  1.0
  P  P4  1  0.873  0.434  0.871  1.0
  P  P5  1  0.566  0.437  0.439  1.0
  P  P6  1  0.998  0.127  0.561  1.0
  O  O7  1  0.624  0.263  0.257  1.0
  O  O8  1  0.006  0.367  0.743  1.0
  O  O9  1  0.633  0.376  0.639  1.0
  O  O10  1  0.737  0.994  0.361  1.0
  O  O11  1  0.613  0.915  0.938  1.0
  O  O12  1  0.977  0.675  0.062  1.0
  O  O13  1  0.325  0.387  0.303  1.0
  O  O14  1  0.085  0.023  0.697  1.0
  O  O15  1  0.343  0.903  0.063  1.0
  O  O16  1  0.840  0.280  0.937  1.0
  O  O17  1  0.720  0.657  0.560  1.0
  O  O18  1  0.097  0.160  0.440  1.0
[/CIF]
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The structure described by Sr(PO3)4(Tl)2 crystallizes in the tetragonal I-4 space group. The structure consists of four 7440-28-0 atoms inside a Sr(PO3)4 framework. In the Sr(PO3)4 framework, Sr(1) is bonded in a 8-coordinate geometry to four equivalent O(2) and four equivalent O(3) atoms. P(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form corner-sharing PO4 tetrahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to two equivalent P(1) atoms. In the second O site, O(2) is bonded in a distorted single-bond 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) and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_SrTl2(PO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.395
_cell_length_b   7.395
_cell_length_c   7.395
_cell_angle_alpha   118.487
_cell_angle_beta   118.487
_cell_angle_gamma   92.642
_symmetry_Int_Tables_number   1
_cell_volume   292.162
_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
  Tl  Tl1  1  0.418  0.918  0.500  1.0
  Tl  Tl2  1  0.082  0.582  0.500  1.0
  P  P3  1  0.563  0.002  0.129  1.0
  P  P4  1  0.873  0.434  0.871  1.0
  P  P5  1  0.566  0.437  0.439  1.0
  P  P6  1  0.998  0.127  0.561  1.0
  O  O7  1  0.624  0.263  0.257  1.0
  O  O8  1  0.006  0.367  0.743  1.0
  O  O9  1  0.633  0.376  0.639  1.0
  O  O10  1  0.737  0.994  0.361  1.0
  O  O11  1  0.613  0.915  0.938  1.0
  O  O12  1  0.977  0.675  0.062  1.0
  O  O13  1  0.325  0.387  0.303  1.0
  O  O14  1  0.085  0.023  0.697  1.0
  O  O15  1  0.343  0.903  0.063  1.0
  O  O16  1  0.840  0.280  0.937  1.0
  O  O17  1  0.720  0.657  0.560  1.0
  O  O18  1  0.097  0.160  0.440  1.0
[/CIF]
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