The structure described by Ca(SO5)2 crystallizes in the hexagonal P6_2 space group. Ca(1) is bonded in a distorted hexagonal bipyramidal geometry to two equivalent O(2), two equivalent O(3), two equivalent O(4), and two equivalent O(5) atoms. S(1) is bonded in a trigonal non-coplanar geometry to one O(1), one O(3), and one O(4) atom. There are five inequivalent O sites. In the first O site, O(5) is bonded in a distorted bent 150 degrees geometry to one Ca(1) and one O(2) atom. In the second O site, O(1) is bonded in a single-bond geometry to one S(1) atom. In the third O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Ca(1) and one O(5) atom. In the fourth O site, O(3) is bonded in a bent 150 degrees geometry to one Ca(1) and one S(1) atom. In the fifth O site, O(4) is bonded in a bent 150 degrees geometry to one Ca(1) and one S(1) atom. is represented by the CIF card [CIF]
data_Ca(SO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.722
_cell_length_b   6.722
_cell_length_c   16.892
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   661.026
_cell_formula_units_Z   3
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  0.000  0.000  1.000  1.0
  Ca  Ca1  1  0.000  0.000  0.333  1.0
  Ca  Ca2  1  0.000  0.000  0.666  1.0
  S  S3  1  0.600  0.693  0.501  1.0
  S  S4  1  0.093  0.400  0.834  1.0
  S  S5  1  0.400  0.307  0.501  1.0
  S  S6  1  0.307  0.907  0.167  1.0
  S  S7  1  0.907  0.600  0.834  1.0
  S  S8  1  0.693  0.093  0.167  1.0
  O  O9  1  0.332  0.572  0.839  1.0
  O  O10  1  0.239  0.668  0.172  1.0
  O  O11  1  0.668  0.428  0.839  1.0
  O  O12  1  0.428  0.761  0.505  1.0
  O  O13  1  0.761  0.332  0.172  1.0
  O  O14  1  0.572  0.239  0.505  1.0
  O  O15  1  0.498  0.683  0.002  1.0
  O  O16  1  0.185  0.502  0.335  1.0
  O  O17  1  0.502  0.317  0.002  1.0
  O  O18  1  0.317  0.815  0.668  1.0
  O  O19  1  0.815  0.498  0.335  1.0
  O  O20  1  0.683  0.185  0.668  1.0
  O  O21  1  0.993  0.248  0.904  1.0
  O  O22  1  0.255  0.007  0.237  1.0
  O  O23  1  0.007  0.752  0.904  1.0
  O  O24  1  0.752  0.745  0.571  1.0
  O  O25  1  0.745  0.993  0.237  1.0
  O  O26  1  0.248  0.255  0.571  1.0
  O  O27  1  0.026  0.261  0.760  1.0
  O  O28  1  0.235  0.974  0.094  1.0
  O  O29  1  0.974  0.739  0.760  1.0
  O  O30  1  0.739  0.765  0.427  1.0
  O  O31  1  0.765  0.026  0.094  1.0
  O  O32  1  0.261  0.235  0.427  1.0
  O  O33  1  0.498  0.815  0.676  1.0
  O  O34  1  0.317  0.502  0.009  1.0
  O  O35  1  0.502  0.185  0.676  1.0
  O  O36  1  0.185  0.683  0.342  1.0
  O  O37  1  0.683  0.498  0.009  1.0
  O  O38  1  0.815  0.317  0.342  1.0
[/CIF]
.
The structure described by Ca(SO5)2 crystallizes in the hexagonal P6_2 space group. Ca(1) is bonded in a distorted hexagonal bipyramidal geometry to two equivalent O(2), two equivalent O(3), two equivalent O(4), and two equivalent O(5) atoms. S(1) is bonded in a trigonal non-coplanar geometry to one O(1), one O(3), and one O(4) atom. There are five inequivalent O sites. In the first O site, O(5) is bonded in a distorted bent 150 degrees geometry to one Ca(1) and one O(2) atom. In the second O site, O(1) is bonded in a single-bond geometry to one S(1) atom. In the third O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Ca(1) and one O(5) atom. In the fourth O site, O(3) is bonded in a bent 150 degrees geometry to one Ca(1) and one S(1) atom. In the fifth O site, O(4) is bonded in a bent 150 degrees geometry to one Ca(1) and one S(1) atom. is represented by the CIF card [CIF]
data_Ca(SO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.722
_cell_length_b   6.722
_cell_length_c   16.892
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   661.026
_cell_formula_units_Z   3
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  0.000  0.000  1.000  1.0
  Ca  Ca1  1  0.000  0.000  0.333  1.0
  Ca  Ca2  1  0.000  0.000  0.666  1.0
  S  S3  1  0.600  0.693  0.501  1.0
  S  S4  1  0.093  0.400  0.834  1.0
  S  S5  1  0.400  0.307  0.501  1.0
  S  S6  1  0.307  0.907  0.167  1.0
  S  S7  1  0.907  0.600  0.834  1.0
  S  S8  1  0.693  0.093  0.167  1.0
  O  O9  1  0.332  0.572  0.839  1.0
  O  O10  1  0.239  0.668  0.172  1.0
  O  O11  1  0.668  0.428  0.839  1.0
  O  O12  1  0.428  0.761  0.505  1.0
  O  O13  1  0.761  0.332  0.172  1.0
  O  O14  1  0.572  0.239  0.505  1.0
  O  O15  1  0.498  0.683  0.002  1.0
  O  O16  1  0.185  0.502  0.335  1.0
  O  O17  1  0.502  0.317  0.002  1.0
  O  O18  1  0.317  0.815  0.668  1.0
  O  O19  1  0.815  0.498  0.335  1.0
  O  O20  1  0.683  0.185  0.668  1.0
  O  O21  1  0.993  0.248  0.904  1.0
  O  O22  1  0.255  0.007  0.237  1.0
  O  O23  1  0.007  0.752  0.904  1.0
  O  O24  1  0.752  0.745  0.571  1.0
  O  O25  1  0.745  0.993  0.237  1.0
  O  O26  1  0.248  0.255  0.571  1.0
  O  O27  1  0.026  0.261  0.760  1.0
  O  O28  1  0.235  0.974  0.094  1.0
  O  O29  1  0.974  0.739  0.760  1.0
  O  O30  1  0.739  0.765  0.427  1.0
  O  O31  1  0.765  0.026  0.094  1.0
  O  O32  1  0.261  0.235  0.427  1.0
  O  O33  1  0.498  0.815  0.676  1.0
  O  O34  1  0.317  0.502  0.009  1.0
  O  O35  1  0.502  0.185  0.676  1.0
  O  O36  1  0.185  0.683  0.342  1.0
  O  O37  1  0.683  0.498  0.009  1.0
  O  O38  1  0.815  0.317  0.342  1.0
[/CIF]
.