The crystal structure described by K2PH3SeO8 crystallizes in the monoclinic Pc 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(5), one O(6), one O(8), two equivalent O(2), two equivalent O(3), and two equivalent O(7) atoms. In the second K site, K(2) is bonded in a 9-coordinate geometry to one O(5), one O(6), one O(7), two equivalent O(1), two equivalent O(4), and two equivalent O(8) atoms. P(1) is bonded in a tetrahedral geometry to one O(1), one O(4), one O(5), and one O(8) atom. There are three inequivalent H sites. In the first H site, H(1) is bonded in a linear geometry to one O(5) and one O(6) atom. In the second H site, H(2) is bonded in a linear geometry to one O(3) and one O(4) atom. In the third H site, H(3) is bonded in a linear geometry to one O(1) and one O(2) atom. Se(1) is bonded in a tetrahedral geometry to one O(2), one O(3), one O(6), and one O(7) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to two equivalent K(2), one P(1), and one H(3) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to two equivalent K(1), one H(3), and one Se(1) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to two equivalent K(1), one H(2), and one Se(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to two equivalent K(2), one P(1), and one H(2) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one K(1), one K(2), one P(1), and one H(1) atom. In the sixth O site, O(6) is bonded in a distorted bent 120 degrees geometry to one K(1), one K(2), one H(1), and one Se(1) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one K(2), two equivalent K(1), and one Se(1) atom. In the eighth O site, O(8) is bonded in a distorted single-bond geometry to one K(1), two equivalent K(2), and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_K2PH3SeO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.603
_cell_length_b   7.396
_cell_length_c   9.705
_cell_angle_alpha   51.129
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   424.848
_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
  K  K0  1  0.944  0.999  0.001  1.0
  K  K1  1  0.056  0.999  0.501  1.0
  K  K2  1  0.451  0.786  0.918  1.0
  K  K3  1  0.549  0.786  0.418  1.0
  P  P4  1  0.462  0.234  0.959  1.0
  P  P5  1  0.538  0.234  0.459  1.0
  H  H6  1  0.737  0.354  0.245  1.0
  H  H7  1  0.263  0.354  0.745  1.0
  H  H8  1  0.750  0.268  0.604  1.0
  H  H9  1  0.250  0.268  0.104  1.0
  H  H10  1  0.677  0.503  0.816  1.0
  H  H11  1  0.323  0.503  0.316  1.0
  Se  Se12  1  0.952  0.537  0.967  1.0
  Se  Se13  1  0.048  0.537  0.467  1.0
  O  O14  1  0.539  0.484  0.811  1.0
  O  O15  1  0.461  0.484  0.311  1.0
  O  O16  1  0.863  0.541  0.806  1.0
  O  O17  1  0.137  0.541  0.306  1.0
  O  O18  1  0.950  0.278  0.615  1.0
  O  O19  1  0.050  0.278  0.115  1.0
  O  O20  1  0.617  0.235  0.611  1.0
  O  O21  1  0.383  0.235  0.111  1.0
  O  O22  1  0.700  0.206  0.371  1.0
  O  O23  1  0.300  0.206  0.871  1.0
  O  O24  1  0.212  0.570  0.566  1.0
  O  O25  1  0.788  0.570  0.066  1.0
  O  O26  1  0.905  0.753  0.377  1.0
  O  O27  1  0.095  0.753  0.877  1.0
  O  O28  1  0.408  0.040  0.540  1.0
  O  O29  1  0.592  0.040  0.040  1.0
[/CIF]
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The crystal structure described by K2PH3SeO8 crystallizes in the monoclinic Pc 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(5), one O(6), one O(8), two equivalent O(2), two equivalent O(3), and two equivalent O(7) atoms. In the second K site, K(2) is bonded in a 9-coordinate geometry to one O(5), one O(6), one O(7), two equivalent O(1), two equivalent O(4), and two equivalent O(8) atoms. P(1) is bonded in a tetrahedral geometry to one O(1), one O(4), one O(5), and one O(8) atom. There are three inequivalent H sites. In the first H site, H(1) is bonded in a linear geometry to one O(5) and one O(6) atom. In the second H site, H(2) is bonded in a linear geometry to one O(3) and one O(4) atom. In the third H site, H(3) is bonded in a linear geometry to one O(1) and one O(2) atom. Se(1) is bonded in a tetrahedral geometry to one O(2), one O(3), one O(6), and one O(7) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to two equivalent K(2), one P(1), and one H(3) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to two equivalent K(1), one H(3), and one Se(1) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to two equivalent K(1), one H(2), and one Se(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to two equivalent K(2), one P(1), and one H(2) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one K(1), one K(2), one P(1), and one H(1) atom. In the sixth O site, O(6) is bonded in a distorted bent 120 degrees geometry to one K(1), one K(2), one H(1), and one Se(1) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one K(2), two equivalent K(1), and one Se(1) atom. In the eighth O site, O(8) is bonded in a distorted single-bond geometry to one K(1), two equivalent K(2), and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_K2PH3SeO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.603
_cell_length_b   7.396
_cell_length_c   9.705
_cell_angle_alpha   51.129
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   424.848
_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
  K  K0  1  0.944  0.999  0.001  1.0
  K  K1  1  0.056  0.999  0.501  1.0
  K  K2  1  0.451  0.786  0.918  1.0
  K  K3  1  0.549  0.786  0.418  1.0
  P  P4  1  0.462  0.234  0.959  1.0
  P  P5  1  0.538  0.234  0.459  1.0
  H  H6  1  0.737  0.354  0.245  1.0
  H  H7  1  0.263  0.354  0.745  1.0
  H  H8  1  0.750  0.268  0.604  1.0
  H  H9  1  0.250  0.268  0.104  1.0
  H  H10  1  0.677  0.503  0.816  1.0
  H  H11  1  0.323  0.503  0.316  1.0
  Se  Se12  1  0.952  0.537  0.967  1.0
  Se  Se13  1  0.048  0.537  0.467  1.0
  O  O14  1  0.539  0.484  0.811  1.0
  O  O15  1  0.461  0.484  0.311  1.0
  O  O16  1  0.863  0.541  0.806  1.0
  O  O17  1  0.137  0.541  0.306  1.0
  O  O18  1  0.950  0.278  0.615  1.0
  O  O19  1  0.050  0.278  0.115  1.0
  O  O20  1  0.617  0.235  0.611  1.0
  O  O21  1  0.383  0.235  0.111  1.0
  O  O22  1  0.700  0.206  0.371  1.0
  O  O23  1  0.300  0.206  0.871  1.0
  O  O24  1  0.212  0.570  0.566  1.0
  O  O25  1  0.788  0.570  0.066  1.0
  O  O26  1  0.905  0.753  0.377  1.0
  O  O27  1  0.095  0.753  0.877  1.0
  O  O28  1  0.408  0.040  0.540  1.0
  O  O29  1  0.592  0.040  0.040  1.0
[/CIF]
.