The compound described by K2SeS3O7 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 9-coordinate geometry to one O(1), one O(2), one O(3), one O(6), one O(7), two equivalent O(4), and two equivalent O(5) atoms. In the second K site, K(2) is bonded to one O(5), one O(7), two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form a mixture of distorted corner and edge-sharing KO8 hexagonal bipyramids. Se(1) is bonded in a water-like geometry to one S(1) and one S(2) atom. There are three inequivalent S sites. In the first S site, S(1) is bonded in a water-like geometry to one Se(1) and one S(3) atom. In the second S site, S(2) is bonded in a trigonal non-coplanar geometry to one Se(1), one O(1), one O(2), and one O(3) atom. In the third S site, S(3) is bonded in a trigonal non-coplanar geometry to one S(1), one O(4), one O(5), and one O(6) atom. There are seven inequivalent O sites. In the first O site, O(3) is bonded in a distorted single-bond geometry to one K(1), two equivalent K(2), and one S(2) atom. In the second O site, O(4) is bonded in a distorted single-bond geometry to two equivalent K(1) and one S(3) atom. In the third O site, O(5) is bonded in a distorted single-bond geometry to one K(2), two equivalent K(1), and one S(3) atom. In the fourth O site, O(6) is bonded in a distorted water-like geometry to one K(1) and one S(3) atom. In the fifth O site, O(7) is bonded in a bent 120 degrees geometry to one K(1) and one K(2) atom. In the sixth O site, O(1) is bonded in a distorted single-bond geometry to one K(1), two equivalent K(2), and one S(2) atom. In the seventh O site, O(2) is bonded in a distorted single-bond geometry to one K(1), two equivalent K(2), and one S(2) atom. is represented by the CIF card [CIF]
data_K2SeS3O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   19.296
_cell_length_b   5.686
_cell_length_c   9.626
_cell_angle_alpha   89.584
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1056.167
_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
  K  K0  1  0.107  0.857  0.999  1.0
  K  K1  1  0.607  0.143  0.501  1.0
  K  K2  1  0.893  0.143  0.001  1.0
  K  K3  1  0.393  0.857  0.499  1.0
  K  K4  1  0.254  0.298  0.156  1.0
  K  K5  1  0.754  0.702  0.344  1.0
  K  K6  1  0.746  0.702  0.844  1.0
  K  K7  1  0.246  0.298  0.656  1.0
  Se  Se8  1  0.103  0.722  0.461  1.0
  Se  Se9  1  0.603  0.278  0.039  1.0
  Se  Se10  1  0.897  0.278  0.539  1.0
  Se  Se11  1  0.397  0.722  0.961  1.0
  S  S12  1  0.080  0.360  0.408  1.0
  S  S13  1  0.580  0.640  0.092  1.0
  S  S14  1  0.920  0.640  0.592  1.0
  S  S15  1  0.420  0.360  0.908  1.0
  S  S16  1  0.216  0.777  0.368  1.0
  S  S17  1  0.716  0.223  0.132  1.0
  S  S18  1  0.784  0.223  0.632  1.0
  S  S19  1  0.284  0.777  0.868  1.0
  S  S20  1  0.050  0.367  0.185  1.0
  S  S21  1  0.550  0.633  0.315  1.0
  S  S22  1  0.950  0.633  0.815  1.0
  S  S23  1  0.450  0.367  0.685  1.0
  O  O24  1  0.256  0.569  0.409  1.0
  O  O25  1  0.756  0.431  0.091  1.0
  O  O26  1  0.744  0.431  0.591  1.0
  O  O27  1  0.244  0.569  0.909  1.0
  O  O28  1  0.206  0.797  0.216  1.0
  O  O29  1  0.706  0.203  0.284  1.0
  O  O30  1  0.794  0.203  0.784  1.0
  O  O31  1  0.294  0.797  0.716  1.0
  O  O32  1  0.238  0.997  0.432  1.0
  O  O33  1  0.738  0.003  0.068  1.0
  O  O34  1  0.762  0.003  0.568  1.0
  O  O35  1  0.262  0.997  0.932  1.0
  O  O36  1  0.007  0.154  0.180  1.0
  O  O37  1  0.507  0.846  0.320  1.0
  O  O38  1  0.993  0.846  0.820  1.0
  O  O39  1  0.493  0.154  0.680  1.0
  O  O40  1  0.115  0.344  0.107  1.0
  O  O41  1  0.615  0.656  0.393  1.0
  O  O42  1  0.885  0.656  0.893  1.0
  O  O43  1  0.385  0.344  0.607  1.0
  O  O44  1  0.015  0.590  0.162  1.0
  O  O45  1  0.515  0.410  0.338  1.0
  O  O46  1  0.985  0.410  0.838  1.0
  O  O47  1  0.485  0.590  0.662  1.0
  O  O48  1  0.615  0.842  0.746  1.0
  O  O49  1  0.115  0.158  0.754  1.0
  O  O50  1  0.385  0.158  0.254  1.0
  O  O51  1  0.885  0.842  0.246  1.0
[/CIF]
.
The compound described by K2SeS3O7 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 9-coordinate geometry to one O(1), one O(2), one O(3), one O(6), one O(7), two equivalent O(4), and two equivalent O(5) atoms. In the second K site, K(2) is bonded to one O(5), one O(7), two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form a mixture of distorted corner and edge-sharing KO8 hexagonal bipyramids. Se(1) is bonded in a water-like geometry to one S(1) and one S(2) atom. There are three inequivalent S sites. In the first S site, S(1) is bonded in a water-like geometry to one Se(1) and one S(3) atom. In the second S site, S(2) is bonded in a trigonal non-coplanar geometry to one Se(1), one O(1), one O(2), and one O(3) atom. In the third S site, S(3) is bonded in a trigonal non-coplanar geometry to one S(1), one O(4), one O(5), and one O(6) atom. There are seven inequivalent O sites. In the first O site, O(3) is bonded in a distorted single-bond geometry to one K(1), two equivalent K(2), and one S(2) atom. In the second O site, O(4) is bonded in a distorted single-bond geometry to two equivalent K(1) and one S(3) atom. In the third O site, O(5) is bonded in a distorted single-bond geometry to one K(2), two equivalent K(1), and one S(3) atom. In the fourth O site, O(6) is bonded in a distorted water-like geometry to one K(1) and one S(3) atom. In the fifth O site, O(7) is bonded in a bent 120 degrees geometry to one K(1) and one K(2) atom. In the sixth O site, O(1) is bonded in a distorted single-bond geometry to one K(1), two equivalent K(2), and one S(2) atom. In the seventh O site, O(2) is bonded in a distorted single-bond geometry to one K(1), two equivalent K(2), and one S(2) atom. is represented by the CIF card [CIF]
data_K2SeS3O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   19.296
_cell_length_b   5.686
_cell_length_c   9.626
_cell_angle_alpha   89.584
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1056.167
_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
  K  K0  1  0.107  0.857  0.999  1.0
  K  K1  1  0.607  0.143  0.501  1.0
  K  K2  1  0.893  0.143  0.001  1.0
  K  K3  1  0.393  0.857  0.499  1.0
  K  K4  1  0.254  0.298  0.156  1.0
  K  K5  1  0.754  0.702  0.344  1.0
  K  K6  1  0.746  0.702  0.844  1.0
  K  K7  1  0.246  0.298  0.656  1.0
  Se  Se8  1  0.103  0.722  0.461  1.0
  Se  Se9  1  0.603  0.278  0.039  1.0
  Se  Se10  1  0.897  0.278  0.539  1.0
  Se  Se11  1  0.397  0.722  0.961  1.0
  S  S12  1  0.080  0.360  0.408  1.0
  S  S13  1  0.580  0.640  0.092  1.0
  S  S14  1  0.920  0.640  0.592  1.0
  S  S15  1  0.420  0.360  0.908  1.0
  S  S16  1  0.216  0.777  0.368  1.0
  S  S17  1  0.716  0.223  0.132  1.0
  S  S18  1  0.784  0.223  0.632  1.0
  S  S19  1  0.284  0.777  0.868  1.0
  S  S20  1  0.050  0.367  0.185  1.0
  S  S21  1  0.550  0.633  0.315  1.0
  S  S22  1  0.950  0.633  0.815  1.0
  S  S23  1  0.450  0.367  0.685  1.0
  O  O24  1  0.256  0.569  0.409  1.0
  O  O25  1  0.756  0.431  0.091  1.0
  O  O26  1  0.744  0.431  0.591  1.0
  O  O27  1  0.244  0.569  0.909  1.0
  O  O28  1  0.206  0.797  0.216  1.0
  O  O29  1  0.706  0.203  0.284  1.0
  O  O30  1  0.794  0.203  0.784  1.0
  O  O31  1  0.294  0.797  0.716  1.0
  O  O32  1  0.238  0.997  0.432  1.0
  O  O33  1  0.738  0.003  0.068  1.0
  O  O34  1  0.762  0.003  0.568  1.0
  O  O35  1  0.262  0.997  0.932  1.0
  O  O36  1  0.007  0.154  0.180  1.0
  O  O37  1  0.507  0.846  0.320  1.0
  O  O38  1  0.993  0.846  0.820  1.0
  O  O39  1  0.493  0.154  0.680  1.0
  O  O40  1  0.115  0.344  0.107  1.0
  O  O41  1  0.615  0.656  0.393  1.0
  O  O42  1  0.885  0.656  0.893  1.0
  O  O43  1  0.385  0.344  0.607  1.0
  O  O44  1  0.015  0.590  0.162  1.0
  O  O45  1  0.515  0.410  0.338  1.0
  O  O46  1  0.985  0.410  0.838  1.0
  O  O47  1  0.485  0.590  0.662  1.0
  O  O48  1  0.615  0.842  0.746  1.0
  O  O49  1  0.115  0.158  0.754  1.0
  O  O50  1  0.385  0.158  0.254  1.0
  O  O51  1  0.885  0.842  0.246  1.0
[/CIF]
.