The crystal structure described by Cs2SrP2O7 crystallizes in the monoclinic C2/c space group. Cs(1) is bonded in a 10-coordinate geometry to one O(1), three equivalent O(2), three equivalent O(3), and three equivalent O(4) atoms. Sr(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form SrO6 octahedra that share corners with six equivalent P(1)O4 tetrahedra. P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share corners with three equivalent Sr(1)O6 octahedra and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 7-40°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to two equivalent Cs(1) and two equivalent P(1) atoms. In the second O site, O(2) is bonded in a 1-coordinate geometry to three equivalent Cs(1), one Sr(1), and one P(1) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to three equivalent Cs(1), one Sr(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a 1-coordinate geometry to three equivalent Cs(1), one Sr(1), and one P(1) atom. is represented by the CIF card [CIF]
data_Cs2SrP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.162
_cell_length_b   6.162
_cell_length_c   13.765
_cell_angle_alpha   76.318
_cell_angle_beta   76.318
_cell_angle_gamma   59.703
_symmetry_Int_Tables_number   1
_cell_volume   434.237
_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
  Cs  Cs0  1  0.370  0.913  0.836  1.0
  Cs  Cs1  1  0.087  0.630  0.664  1.0
  Cs  Cs2  1  0.630  0.087  0.164  1.0
  Cs  Cs3  1  0.913  0.370  0.336  1.0
  Sr  Sr4  1  0.000  0.500  0.000  1.0
  Sr  Sr5  1  0.500  0.000  0.500  1.0
  P  P6  1  0.698  0.230  0.867  1.0
  P  P7  1  0.770  0.302  0.633  1.0
  P  P8  1  0.302  0.770  0.133  1.0
  P  P9  1  0.230  0.698  0.367  1.0
  O  O10  1  0.826  0.174  0.750  1.0
  O  O11  1  0.174  0.826  0.250  1.0
  O  O12  1  0.408  0.377  0.871  1.0
  O  O13  1  0.623  0.592  0.629  1.0
  O  O14  1  0.592  0.623  0.129  1.0
  O  O15  1  0.377  0.408  0.371  1.0
  O  O16  1  0.798  0.961  0.925  1.0
  O  O17  1  0.039  0.202  0.575  1.0
  O  O18  1  0.202  0.039  0.075  1.0
  O  O19  1  0.961  0.798  0.425  1.0
  O  O20  1  0.384  0.808  0.391  1.0
  O  O21  1  0.192  0.616  0.109  1.0
  O  O22  1  0.616  0.192  0.609  1.0
  O  O23  1  0.808  0.384  0.891  1.0
[/CIF]
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The crystal structure described by Cs2SrP2O7 crystallizes in the monoclinic C2/c space group. Cs(1) is bonded in a 10-coordinate geometry to one O(1), three equivalent O(2), three equivalent O(3), and three equivalent O(4) atoms. Sr(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form SrO6 octahedra that share corners with six equivalent P(1)O4 tetrahedra. P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share corners with three equivalent Sr(1)O6 octahedra and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 7-40°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to two equivalent Cs(1) and two equivalent P(1) atoms. In the second O site, O(2) is bonded in a 1-coordinate geometry to three equivalent Cs(1), one Sr(1), and one P(1) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to three equivalent Cs(1), one Sr(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a 1-coordinate geometry to three equivalent Cs(1), one Sr(1), and one P(1) atom. is represented by the CIF card [CIF]
data_Cs2SrP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.162
_cell_length_b   6.162
_cell_length_c   13.765
_cell_angle_alpha   76.318
_cell_angle_beta   76.318
_cell_angle_gamma   59.703
_symmetry_Int_Tables_number   1
_cell_volume   434.237
_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
  Cs  Cs0  1  0.370  0.913  0.836  1.0
  Cs  Cs1  1  0.087  0.630  0.664  1.0
  Cs  Cs2  1  0.630  0.087  0.164  1.0
  Cs  Cs3  1  0.913  0.370  0.336  1.0
  Sr  Sr4  1  0.000  0.500  0.000  1.0
  Sr  Sr5  1  0.500  0.000  0.500  1.0
  P  P6  1  0.698  0.230  0.867  1.0
  P  P7  1  0.770  0.302  0.633  1.0
  P  P8  1  0.302  0.770  0.133  1.0
  P  P9  1  0.230  0.698  0.367  1.0
  O  O10  1  0.826  0.174  0.750  1.0
  O  O11  1  0.174  0.826  0.250  1.0
  O  O12  1  0.408  0.377  0.871  1.0
  O  O13  1  0.623  0.592  0.629  1.0
  O  O14  1  0.592  0.623  0.129  1.0
  O  O15  1  0.377  0.408  0.371  1.0
  O  O16  1  0.798  0.961  0.925  1.0
  O  O17  1  0.039  0.202  0.575  1.0
  O  O18  1  0.202  0.039  0.075  1.0
  O  O19  1  0.961  0.798  0.425  1.0
  O  O20  1  0.384  0.808  0.391  1.0
  O  O21  1  0.192  0.616  0.109  1.0
  O  O22  1  0.616  0.192  0.609  1.0
  O  O23  1  0.808  0.384  0.891  1.0
[/CIF]
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