The crystal structure described by K4PH5Se3O16 crystallizes in the triclinic P1 space group. There are four inequivalent K sites. In the first K site, K(1) is bonded in a 6-coordinate geometry to one O(1), one O(12), one O(15), one O(16), one O(3), and one O(7) atom. In the second K site, K(2) is bonded in a 9-coordinate geometry to one H(2), one O(13), one O(15), one O(16), one O(4), one O(5), one O(6), one O(7), and one O(8) atom. In the third K site, K(3) is bonded in a 9-coordinate geometry to one H(4), one O(1), one O(10), one O(11), one O(12), one O(13), one O(2), one O(4), and one O(9) atom. In the fourth K site, K(4) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(14), one O(16), one O(2), and one O(5) atom. P(1) is bonded in a tetrahedral geometry to one O(11), one O(12), one O(7), and one O(8) atom. There are five inequivalent H sites. In the first H site, H(1) is bonded in a linear geometry to one O(3) and one O(6) atom. In the second H site, H(2) is bonded in a distorted linear geometry to one K(2), one O(5), and one O(7) atom. In the third H site, H(3) is bonded in a linear geometry to one O(8) and one O(9) atom. In the fourth H site, H(4) is bonded in a distorted linear geometry to one K(3), one O(10), and one O(12) atom. In the fifth H site, H(5) is bonded in a linear geometry to one O(11) and one O(14) atom. There are three inequivalent Se sites. In the first Se site, Se(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. In the second Se site, Se(2) is bonded in a tetrahedral geometry to one O(10), one O(5), one O(6), and one O(9) atom. In the third Se site, Se(3) is bonded in a tetrahedral geometry to one O(13), one O(14), one O(15), and one O(16) atom. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one K(1), one K(3), one K(4), and one Se(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one K(3), one K(4), and one Se(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one K(1), one H(1), and one Se(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one K(2), one K(3), and one Se(1) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one K(2), one K(4), one H(2), and one Se(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one K(2), one H(1), and one Se(2) atom. In the seventh O site, O(7) is bonded in a distorted bent 120 degrees geometry to one K(1), one K(2), one P(1), and one H(2) atom. In the eighth O site, O(8) is bonded in a distorted bent 120 degrees geometry to one K(2), one P(1), and one H(3) atom. In the ninth O site, O(9) is bonded in a distorted bent 120 degrees geometry to one K(3), one H(3), and one Se(2) atom. In the tenth O site, O(10) is bonded in a distorted bent 120 degrees geometry to one K(3), one K(4), one H(4), and one Se(2) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one K(3), one P(1), and one H(5) atom. In the twelfth O site, O(12) is bonded in a distorted bent 120 degrees geometry to one K(1), one K(3), one P(1), and one H(4) atom. In the thirteenth O site, O(13) is bonded in a 3-coordinate geometry to one K(2), one K(3), and one Se(3) atom. In the fourteenth O site, O(14) is bonded in a 1-coordinate geometry to one K(4), one H(5), and one Se(3) atom. In the fifteenth O site, O(15) is bonded in a 3-coordinate geometry to one K(1), one K(2), and one Se(3) atom. In the sixteenth O site, O(16) is bonded in a 4-coordinate geometry to one K(1), one K(2), one K(4), and one Se(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_K4PH5Se3O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.588
_cell_length_b   7.799
_cell_length_c   7.863
_cell_angle_alpha   71.354
_cell_angle_beta   87.679
_cell_angle_gamma   85.715
_symmetry_Int_Tables_number   1
_cell_volume   439.616
_cell_formula_units_Z   1
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  0.033  0.742  0.220  1.0
  K  K1  1  0.338  0.812  0.665  1.0
  K  K2  1  0.660  0.195  0.332  1.0
  K  K3  1  0.968  0.257  0.781  1.0
  P  P4  1  0.541  0.719  0.194  1.0
  H  H5  1  0.254  0.427  0.031  1.0
  H  H6  1  0.378  0.929  0.969  1.0
  H  H7  1  0.491  0.535  0.473  1.0
  H  H8  1  0.640  1.000  0.084  1.0
  H  H9  1  0.746  0.572  0.972  1.0
  Se  Se10  1  0.128  0.216  0.279  1.0
  Se  Se11  1  0.468  0.272  0.804  1.0
  Se  Se12  1  0.872  0.783  0.723  1.0
  O  O13  1  0.010  0.135  0.152  1.0
  O  O14  1  0.005  0.269  0.436  1.0
  O  O15  1  0.191  0.434  0.147  1.0
  O  O16  1  0.311  0.091  0.349  1.0
  O  O17  1  0.341  0.101  0.816  1.0
  O  O18  1  0.338  0.441  0.841  1.0
  O  O19  1  0.387  0.796  0.056  1.0
  O  O20  1  0.446  0.659  0.384  1.0
  O  O21  1  0.562  0.354  0.601  1.0
  O  O22  1  0.629  0.195  0.956  1.0
  O  O23  1  0.653  0.566  0.161  1.0
  O  O24  1  0.656  0.882  0.190  1.0
  O  O25  1  0.688  0.908  0.651  1.0
  O  O26  1  0.808  0.565  0.856  1.0
  O  O27  1  0.994  0.731  0.565  1.0
  O  O28  1  0.990  0.864  0.849  1.0
[/CIF]
.
The crystal structure described by K4PH5Se3O16 crystallizes in the triclinic P1 space group. There are four inequivalent K sites. In the first K site, K(1) is bonded in a 6-coordinate geometry to one O(1), one O(12), one O(15), one O(16), one O(3), and one O(7) atom. In the second K site, K(2) is bonded in a 9-coordinate geometry to one H(2), one O(13), one O(15), one O(16), one O(4), one O(5), one O(6), one O(7), and one O(8) atom. In the third K site, K(3) is bonded in a 9-coordinate geometry to one H(4), one O(1), one O(10), one O(11), one O(12), one O(13), one O(2), one O(4), and one O(9) atom. In the fourth K site, K(4) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(14), one O(16), one O(2), and one O(5) atom. P(1) is bonded in a tetrahedral geometry to one O(11), one O(12), one O(7), and one O(8) atom. There are five inequivalent H sites. In the first H site, H(1) is bonded in a linear geometry to one O(3) and one O(6) atom. In the second H site, H(2) is bonded in a distorted linear geometry to one K(2), one O(5), and one O(7) atom. In the third H site, H(3) is bonded in a linear geometry to one O(8) and one O(9) atom. In the fourth H site, H(4) is bonded in a distorted linear geometry to one K(3), one O(10), and one O(12) atom. In the fifth H site, H(5) is bonded in a linear geometry to one O(11) and one O(14) atom. There are three inequivalent Se sites. In the first Se site, Se(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. In the second Se site, Se(2) is bonded in a tetrahedral geometry to one O(10), one O(5), one O(6), and one O(9) atom. In the third Se site, Se(3) is bonded in a tetrahedral geometry to one O(13), one O(14), one O(15), and one O(16) atom. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one K(1), one K(3), one K(4), and one Se(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one K(3), one K(4), and one Se(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one K(1), one H(1), and one Se(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one K(2), one K(3), and one Se(1) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one K(2), one K(4), one H(2), and one Se(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one K(2), one H(1), and one Se(2) atom. In the seventh O site, O(7) is bonded in a distorted bent 120 degrees geometry to one K(1), one K(2), one P(1), and one H(2) atom. In the eighth O site, O(8) is bonded in a distorted bent 120 degrees geometry to one K(2), one P(1), and one H(3) atom. In the ninth O site, O(9) is bonded in a distorted bent 120 degrees geometry to one K(3), one H(3), and one Se(2) atom. In the tenth O site, O(10) is bonded in a distorted bent 120 degrees geometry to one K(3), one K(4), one H(4), and one Se(2) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one K(3), one P(1), and one H(5) atom. In the twelfth O site, O(12) is bonded in a distorted bent 120 degrees geometry to one K(1), one K(3), one P(1), and one H(4) atom. In the thirteenth O site, O(13) is bonded in a 3-coordinate geometry to one K(2), one K(3), and one Se(3) atom. In the fourteenth O site, O(14) is bonded in a 1-coordinate geometry to one K(4), one H(5), and one Se(3) atom. In the fifteenth O site, O(15) is bonded in a 3-coordinate geometry to one K(1), one K(2), and one Se(3) atom. In the sixteenth O site, O(16) is bonded in a 4-coordinate geometry to one K(1), one K(2), one K(4), and one Se(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_K4PH5Se3O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.588
_cell_length_b   7.799
_cell_length_c   7.863
_cell_angle_alpha   71.354
_cell_angle_beta   87.679
_cell_angle_gamma   85.715
_symmetry_Int_Tables_number   1
_cell_volume   439.616
_cell_formula_units_Z   1
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  0.033  0.742  0.220  1.0
  K  K1  1  0.338  0.812  0.665  1.0
  K  K2  1  0.660  0.195  0.332  1.0
  K  K3  1  0.968  0.257  0.781  1.0
  P  P4  1  0.541  0.719  0.194  1.0
  H  H5  1  0.254  0.427  0.031  1.0
  H  H6  1  0.378  0.929  0.969  1.0
  H  H7  1  0.491  0.535  0.473  1.0
  H  H8  1  0.640  1.000  0.084  1.0
  H  H9  1  0.746  0.572  0.972  1.0
  Se  Se10  1  0.128  0.216  0.279  1.0
  Se  Se11  1  0.468  0.272  0.804  1.0
  Se  Se12  1  0.872  0.783  0.723  1.0
  O  O13  1  0.010  0.135  0.152  1.0
  O  O14  1  0.005  0.269  0.436  1.0
  O  O15  1  0.191  0.434  0.147  1.0
  O  O16  1  0.311  0.091  0.349  1.0
  O  O17  1  0.341  0.101  0.816  1.0
  O  O18  1  0.338  0.441  0.841  1.0
  O  O19  1  0.387  0.796  0.056  1.0
  O  O20  1  0.446  0.659  0.384  1.0
  O  O21  1  0.562  0.354  0.601  1.0
  O  O22  1  0.629  0.195  0.956  1.0
  O  O23  1  0.653  0.566  0.161  1.0
  O  O24  1  0.656  0.882  0.190  1.0
  O  O25  1  0.688  0.908  0.651  1.0
  O  O26  1  0.808  0.565  0.856  1.0
  O  O27  1  0.994  0.731  0.565  1.0
  O  O28  1  0.990  0.864  0.849  1.0
[/CIF]
.