The material structure described by Ca2S2O7 crystallizes in the orthorhombic Pbcn space group. Ca(1) is bonded to one O(4), two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form a mixture of distorted corner and edge-sharing CaO7 pentagonal bipyramids. S(1) is bonded in a trigonal non-coplanar geometry to one O(1), one O(2), and one O(3) atom. There are four inequivalent O sites. In the first O site, O(3) is bonded in a distorted trigonal planar geometry to two equivalent Ca(1) and one S(1) atom. In the second O site, O(4) is bonded in a water-like geometry to two equivalent Ca(1) atoms. In the third O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Ca(1) and one S(1) atom. In the fourth O site, O(2) is bonded in a distorted T-shaped geometry to two equivalent Ca(1) and one S(1) atom. is represented by the CIF file [CIF]
data_Ca2S2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.700
_cell_length_b   9.907
_cell_length_c   11.044
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   623.663
_cell_formula_units_Z   4
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
  Ca  Ca0  1  0.430  0.629  0.131  1.0
  Ca  Ca1  1  0.070  0.129  0.369  1.0
  Ca  Ca2  1  0.070  0.371  0.631  1.0
  Ca  Ca3  1  0.430  0.871  0.869  1.0
  Ca  Ca4  1  0.570  0.371  0.869  1.0
  Ca  Ca5  1  0.930  0.871  0.631  1.0
  Ca  Ca6  1  0.930  0.629  0.369  1.0
  Ca  Ca7  1  0.570  0.129  0.131  1.0
  S  S8  1  0.877  0.867  0.125  1.0
  S  S9  1  0.623  0.367  0.375  1.0
  S  S10  1  0.623  0.133  0.625  1.0
  S  S11  1  0.877  0.633  0.875  1.0
  S  S12  1  0.123  0.133  0.875  1.0
  S  S13  1  0.377  0.633  0.625  1.0
  S  S14  1  0.377  0.867  0.375  1.0
  S  S15  1  0.123  0.367  0.125  1.0
  O  O16  1  0.673  0.905  0.042  1.0
  O  O17  1  0.827  0.405  0.458  1.0
  O  O18  1  0.827  0.095  0.542  1.0
  O  O19  1  0.673  0.595  0.958  1.0
  O  O20  1  0.327  0.095  0.958  1.0
  O  O21  1  0.173  0.595  0.542  1.0
  O  O22  1  0.173  0.905  0.458  1.0
  O  O23  1  0.327  0.405  0.042  1.0
  O  O24  1  0.905  0.988  0.208  1.0
  O  O25  1  0.595  0.488  0.292  1.0
  O  O26  1  0.595  0.012  0.708  1.0
  O  O27  1  0.905  0.512  0.792  1.0
  O  O28  1  0.095  0.012  0.792  1.0
  O  O29  1  0.405  0.512  0.708  1.0
  O  O30  1  0.405  0.988  0.292  1.0
  O  O31  1  0.095  0.488  0.208  1.0
  O  O32  1  0.793  0.748  0.199  1.0
  O  O33  1  0.707  0.248  0.301  1.0
  O  O34  1  0.707  0.252  0.699  1.0
  O  O35  1  0.793  0.752  0.801  1.0
  O  O36  1  0.207  0.252  0.801  1.0
  O  O37  1  0.293  0.752  0.699  1.0
  O  O38  1  0.293  0.748  0.301  1.0
  O  O39  1  0.207  0.248  0.199  1.0
  O  O40  1  0.189  0.750  0.000  1.0
  O  O41  1  0.311  0.250  0.500  1.0
  O  O42  1  0.811  0.250  0.000  1.0
  O  O43  1  0.689  0.750  0.500  1.0
[/CIF]
.
The material structure described by Ca2S2O7 crystallizes in the orthorhombic Pbcn space group. Ca(1) is bonded to one O(4), two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form a mixture of distorted corner and edge-sharing CaO7 pentagonal bipyramids. S(1) is bonded in a trigonal non-coplanar geometry to one O(1), one O(2), and one O(3) atom. There are four inequivalent O sites. In the first O site, O(3) is bonded in a distorted trigonal planar geometry to two equivalent Ca(1) and one S(1) atom. In the second O site, O(4) is bonded in a water-like geometry to two equivalent Ca(1) atoms. In the third O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Ca(1) and one S(1) atom. In the fourth O site, O(2) is bonded in a distorted T-shaped geometry to two equivalent Ca(1) and one S(1) atom. is represented by the CIF file [CIF]
data_Ca2S2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.700
_cell_length_b   9.907
_cell_length_c   11.044
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   623.663
_cell_formula_units_Z   4
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
  Ca  Ca0  1  0.430  0.629  0.131  1.0
  Ca  Ca1  1  0.070  0.129  0.369  1.0
  Ca  Ca2  1  0.070  0.371  0.631  1.0
  Ca  Ca3  1  0.430  0.871  0.869  1.0
  Ca  Ca4  1  0.570  0.371  0.869  1.0
  Ca  Ca5  1  0.930  0.871  0.631  1.0
  Ca  Ca6  1  0.930  0.629  0.369  1.0
  Ca  Ca7  1  0.570  0.129  0.131  1.0
  S  S8  1  0.877  0.867  0.125  1.0
  S  S9  1  0.623  0.367  0.375  1.0
  S  S10  1  0.623  0.133  0.625  1.0
  S  S11  1  0.877  0.633  0.875  1.0
  S  S12  1  0.123  0.133  0.875  1.0
  S  S13  1  0.377  0.633  0.625  1.0
  S  S14  1  0.377  0.867  0.375  1.0
  S  S15  1  0.123  0.367  0.125  1.0
  O  O16  1  0.673  0.905  0.042  1.0
  O  O17  1  0.827  0.405  0.458  1.0
  O  O18  1  0.827  0.095  0.542  1.0
  O  O19  1  0.673  0.595  0.958  1.0
  O  O20  1  0.327  0.095  0.958  1.0
  O  O21  1  0.173  0.595  0.542  1.0
  O  O22  1  0.173  0.905  0.458  1.0
  O  O23  1  0.327  0.405  0.042  1.0
  O  O24  1  0.905  0.988  0.208  1.0
  O  O25  1  0.595  0.488  0.292  1.0
  O  O26  1  0.595  0.012  0.708  1.0
  O  O27  1  0.905  0.512  0.792  1.0
  O  O28  1  0.095  0.012  0.792  1.0
  O  O29  1  0.405  0.512  0.708  1.0
  O  O30  1  0.405  0.988  0.292  1.0
  O  O31  1  0.095  0.488  0.208  1.0
  O  O32  1  0.793  0.748  0.199  1.0
  O  O33  1  0.707  0.248  0.301  1.0
  O  O34  1  0.707  0.252  0.699  1.0
  O  O35  1  0.793  0.752  0.801  1.0
  O  O36  1  0.207  0.252  0.801  1.0
  O  O37  1  0.293  0.752  0.699  1.0
  O  O38  1  0.293  0.748  0.301  1.0
  O  O39  1  0.207  0.248  0.199  1.0
  O  O40  1  0.189  0.750  0.000  1.0
  O  O41  1  0.311  0.250  0.500  1.0
  O  O42  1  0.811  0.250  0.000  1.0
  O  O43  1  0.689  0.750  0.500  1.0
[/CIF]
.