The crystal structure described by Cs5(SO4)4 crystallizes in the orthorhombic Cmcm space group. There are three inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 14-coordinate geometry to two equivalent O(1), four equivalent O(5), and eight equivalent O(6) atoms. In the second Cs site, Cs(2) is bonded to one O(2), one O(5), two equivalent O(3), two equivalent O(6), three equivalent O(1), and three equivalent O(4) atoms to form distorted CsO12 cuboctahedra that share edges with six equivalent Cs(2)O12 cuboctahedra, edges with three equivalent S(1)O4 tetrahedra, and edges with three equivalent S(2)O4 tetrahedra. In the third Cs site, Cs(3) is bonded in a 10-coordinate geometry to one O(4), three equivalent O(2), and six equivalent O(3) atoms. There are two inequivalent S sites. In the first S site, S(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form SO4 tetrahedra that share edges with three equivalent Cs(2)O12 cuboctahedra. In the second S site, S(2) is bonded to one O(4), one O(5), and two equivalent O(6) atoms to form SO4 tetrahedra that share edges with three equivalent Cs(2)O12 cuboctahedra. There are six inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one Cs(1), three equivalent Cs(2), and one S(1) atom. In the second O site, O(2) is bonded in a single-bond geometry to one Cs(2), three equivalent Cs(3), and one S(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Cs(2), three equivalent Cs(3), and one S(1) atom. In the fourth O site, O(4) is bonded in a single-bond geometry to one Cs(3), three equivalent Cs(2), and one S(2) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one Cs(2), two equivalent Cs(1), and one S(2) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to one Cs(2), two equivalent Cs(1), and one S(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cs5(SO4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.107
_cell_length_b   6.107
_cell_length_c   29.326
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.044
_symmetry_Int_Tables_number   1
_cell_volume   956.164
_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  0.981  0.019  0.250  1.0
  Cs  Cs1  1  0.019  0.981  0.750  1.0
  Cs  Cs2  1  0.654  0.346  0.131  1.0
  Cs  Cs3  1  0.346  0.654  0.869  1.0
  Cs  Cs4  1  0.654  0.346  0.369  1.0
  Cs  Cs5  1  0.346  0.654  0.631  1.0
  Cs  Cs6  1  0.333  0.667  0.030  1.0
  Cs  Cs7  1  0.667  0.333  0.970  1.0
  Cs  Cs8  1  0.333  0.667  0.470  1.0
  Cs  Cs9  1  0.667  0.333  0.530  1.0
  S  S10  1  0.999  0.001  0.070  1.0
  S  S11  1  0.001  0.999  0.930  1.0
  S  S12  1  0.999  0.001  0.430  1.0
  S  S13  1  0.001  0.999  0.570  1.0
  S  S14  1  0.685  0.315  0.811  1.0
  S  S15  1  0.315  0.685  0.189  1.0
  S  S16  1  0.685  0.315  0.689  1.0
  S  S17  1  0.315  0.685  0.311  1.0
  O  O18  1  0.989  0.011  0.120  1.0
  O  O19  1  0.011  0.989  0.880  1.0
  O  O20  1  0.989  0.011  0.380  1.0
  O  O21  1  0.011  0.989  0.620  1.0
  O  O22  1  0.866  0.134  0.053  1.0
  O  O23  1  0.134  0.866  0.947  1.0
  O  O24  1  0.866  0.134  0.447  1.0
  O  O25  1  0.134  0.866  0.553  1.0
  O  O26  1  0.261  0.129  0.054  1.0
  O  O27  1  0.129  0.261  0.946  1.0
  O  O28  1  0.261  0.129  0.446  1.0
  O  O29  1  0.129  0.261  0.554  1.0
  O  O30  1  0.739  0.871  0.946  1.0
  O  O31  1  0.871  0.739  0.054  1.0
  O  O32  1  0.739  0.871  0.554  1.0
  O  O33  1  0.871  0.739  0.446  1.0
  O  O34  1  0.681  0.319  0.862  1.0
  O  O35  1  0.319  0.681  0.138  1.0
  O  O36  1  0.681  0.319  0.638  1.0
  O  O37  1  0.319  0.681  0.362  1.0
  O  O38  1  0.552  0.448  0.794  1.0
  O  O39  1  0.448  0.552  0.206  1.0
  O  O40  1  0.552  0.448  0.706  1.0
  O  O41  1  0.448  0.552  0.294  1.0
  O  O42  1  0.946  0.444  0.796  1.0
  O  O43  1  0.444  0.946  0.204  1.0
  O  O44  1  0.946  0.444  0.704  1.0
  O  O45  1  0.444  0.946  0.296  1.0
  O  O46  1  0.054  0.556  0.204  1.0
  O  O47  1  0.556  0.054  0.796  1.0
  O  O48  1  0.054  0.556  0.296  1.0
  O  O49  1  0.556  0.054  0.704  1.0
[/CIF]
.
The crystal structure described by Cs5(SO4)4 crystallizes in the orthorhombic Cmcm space group. There are three inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 14-coordinate geometry to two equivalent O(1), four equivalent O(5), and eight equivalent O(6) atoms. In the second Cs site, Cs(2) is bonded to one O(2), one O(5), two equivalent O(3), two equivalent O(6), three equivalent O(1), and three equivalent O(4) atoms to form distorted CsO12 cuboctahedra that share edges with six equivalent Cs(2)O12 cuboctahedra, edges with three equivalent S(1)O4 tetrahedra, and edges with three equivalent S(2)O4 tetrahedra. In the third Cs site, Cs(3) is bonded in a 10-coordinate geometry to one O(4), three equivalent O(2), and six equivalent O(3) atoms. There are two inequivalent S sites. In the first S site, S(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form SO4 tetrahedra that share edges with three equivalent Cs(2)O12 cuboctahedra. In the second S site, S(2) is bonded to one O(4), one O(5), and two equivalent O(6) atoms to form SO4 tetrahedra that share edges with three equivalent Cs(2)O12 cuboctahedra. There are six inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one Cs(1), three equivalent Cs(2), and one S(1) atom. In the second O site, O(2) is bonded in a single-bond geometry to one Cs(2), three equivalent Cs(3), and one S(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Cs(2), three equivalent Cs(3), and one S(1) atom. In the fourth O site, O(4) is bonded in a single-bond geometry to one Cs(3), three equivalent Cs(2), and one S(2) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one Cs(2), two equivalent Cs(1), and one S(2) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to one Cs(2), two equivalent Cs(1), and one S(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cs5(SO4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.107
_cell_length_b   6.107
_cell_length_c   29.326
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.044
_symmetry_Int_Tables_number   1
_cell_volume   956.164
_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  0.981  0.019  0.250  1.0
  Cs  Cs1  1  0.019  0.981  0.750  1.0
  Cs  Cs2  1  0.654  0.346  0.131  1.0
  Cs  Cs3  1  0.346  0.654  0.869  1.0
  Cs  Cs4  1  0.654  0.346  0.369  1.0
  Cs  Cs5  1  0.346  0.654  0.631  1.0
  Cs  Cs6  1  0.333  0.667  0.030  1.0
  Cs  Cs7  1  0.667  0.333  0.970  1.0
  Cs  Cs8  1  0.333  0.667  0.470  1.0
  Cs  Cs9  1  0.667  0.333  0.530  1.0
  S  S10  1  0.999  0.001  0.070  1.0
  S  S11  1  0.001  0.999  0.930  1.0
  S  S12  1  0.999  0.001  0.430  1.0
  S  S13  1  0.001  0.999  0.570  1.0
  S  S14  1  0.685  0.315  0.811  1.0
  S  S15  1  0.315  0.685  0.189  1.0
  S  S16  1  0.685  0.315  0.689  1.0
  S  S17  1  0.315  0.685  0.311  1.0
  O  O18  1  0.989  0.011  0.120  1.0
  O  O19  1  0.011  0.989  0.880  1.0
  O  O20  1  0.989  0.011  0.380  1.0
  O  O21  1  0.011  0.989  0.620  1.0
  O  O22  1  0.866  0.134  0.053  1.0
  O  O23  1  0.134  0.866  0.947  1.0
  O  O24  1  0.866  0.134  0.447  1.0
  O  O25  1  0.134  0.866  0.553  1.0
  O  O26  1  0.261  0.129  0.054  1.0
  O  O27  1  0.129  0.261  0.946  1.0
  O  O28  1  0.261  0.129  0.446  1.0
  O  O29  1  0.129  0.261  0.554  1.0
  O  O30  1  0.739  0.871  0.946  1.0
  O  O31  1  0.871  0.739  0.054  1.0
  O  O32  1  0.739  0.871  0.554  1.0
  O  O33  1  0.871  0.739  0.446  1.0
  O  O34  1  0.681  0.319  0.862  1.0
  O  O35  1  0.319  0.681  0.138  1.0
  O  O36  1  0.681  0.319  0.638  1.0
  O  O37  1  0.319  0.681  0.362  1.0
  O  O38  1  0.552  0.448  0.794  1.0
  O  O39  1  0.448  0.552  0.206  1.0
  O  O40  1  0.552  0.448  0.706  1.0
  O  O41  1  0.448  0.552  0.294  1.0
  O  O42  1  0.946  0.444  0.796  1.0
  O  O43  1  0.444  0.946  0.204  1.0
  O  O44  1  0.946  0.444  0.704  1.0
  O  O45  1  0.444  0.946  0.296  1.0
  O  O46  1  0.054  0.556  0.204  1.0
  O  O47  1  0.556  0.054  0.796  1.0
  O  O48  1  0.054  0.556  0.296  1.0
  O  O49  1  0.556  0.054  0.704  1.0
[/CIF]
.