The compound described by TlP2H5O8 crystallizes in the monoclinic C2/c space group. The structure consists of four 7440-28-0 atoms inside a P2H5O8 framework. In the P2H5O8 framework, P(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. There are three inequivalent H sites. In the first H site, H(1) is bonded in a linear geometry to one O(1) and one O(2) atom. In the second H site, H(2) is bonded in a linear geometry to one O(1) and one O(3) atom. In the third H site, H(3) is bonded in a linear geometry to two equivalent O(4) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one P(1), one H(1), and one H(2) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one P(1) and one H(1) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one P(1) and one H(2) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one P(1) and one H(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_TlP2H5O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.538
_cell_length_b   6.538
_cell_length_c   9.696
_cell_angle_alpha   81.623
_cell_angle_beta   81.623
_cell_angle_gamma   73.957
_symmetry_Int_Tables_number   1
_cell_volume   391.596
_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
  Tl  Tl0  1  0.000  0.000  0.500  1.0
  Tl  Tl1  1  0.000  0.000  0.000  1.0
  P  P2  1  0.739  0.626  0.806  1.0
  P  P3  1  0.374  0.261  0.694  1.0
  P  P4  1  0.261  0.374  0.194  1.0
  P  P5  1  0.626  0.739  0.306  1.0
  H  H6  1  0.622  0.706  0.021  1.0
  H  H7  1  0.294  0.378  0.479  1.0
  H  H8  1  0.378  0.294  0.979  1.0
  H  H9  1  0.706  0.622  0.521  1.0
  H  H10  1  0.087  0.547  0.825  1.0
  H  H11  1  0.453  0.913  0.675  1.0
  H  H12  1  0.913  0.453  0.175  1.0
  H  H13  1  0.547  0.087  0.325  1.0
  H  H14  1  0.696  0.304  0.750  1.0
  H  H15  1  0.304  0.696  0.250  1.0
  O  O16  1  0.728  0.653  0.166  1.0
  O  O17  1  0.347  0.272  0.334  1.0
  O  O18  1  0.272  0.347  0.834  1.0
  O  O19  1  0.653  0.728  0.666  1.0
  O  O20  1  0.738  0.571  0.424  1.0
  O  O21  1  0.429  0.262  0.076  1.0
  O  O22  1  0.262  0.429  0.576  1.0
  O  O23  1  0.571  0.738  0.924  1.0
  O  O24  1  0.956  0.680  0.822  1.0
  O  O25  1  0.320  0.044  0.678  1.0
  O  O26  1  0.044  0.320  0.178  1.0
  O  O27  1  0.680  0.956  0.322  1.0
  O  O28  1  0.780  0.381  0.825  1.0
  O  O29  1  0.619  0.220  0.675  1.0
  O  O30  1  0.220  0.619  0.175  1.0
  O  O31  1  0.381  0.780  0.325  1.0
[/CIF]
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The compound described by TlP2H5O8 crystallizes in the monoclinic C2/c space group. The structure consists of four 7440-28-0 atoms inside a P2H5O8 framework. In the P2H5O8 framework, P(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. There are three inequivalent H sites. In the first H site, H(1) is bonded in a linear geometry to one O(1) and one O(2) atom. In the second H site, H(2) is bonded in a linear geometry to one O(1) and one O(3) atom. In the third H site, H(3) is bonded in a linear geometry to two equivalent O(4) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one P(1), one H(1), and one H(2) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one P(1) and one H(1) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one P(1) and one H(2) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one P(1) and one H(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_TlP2H5O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.538
_cell_length_b   6.538
_cell_length_c   9.696
_cell_angle_alpha   81.623
_cell_angle_beta   81.623
_cell_angle_gamma   73.957
_symmetry_Int_Tables_number   1
_cell_volume   391.596
_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
  Tl  Tl0  1  0.000  0.000  0.500  1.0
  Tl  Tl1  1  0.000  0.000  0.000  1.0
  P  P2  1  0.739  0.626  0.806  1.0
  P  P3  1  0.374  0.261  0.694  1.0
  P  P4  1  0.261  0.374  0.194  1.0
  P  P5  1  0.626  0.739  0.306  1.0
  H  H6  1  0.622  0.706  0.021  1.0
  H  H7  1  0.294  0.378  0.479  1.0
  H  H8  1  0.378  0.294  0.979  1.0
  H  H9  1  0.706  0.622  0.521  1.0
  H  H10  1  0.087  0.547  0.825  1.0
  H  H11  1  0.453  0.913  0.675  1.0
  H  H12  1  0.913  0.453  0.175  1.0
  H  H13  1  0.547  0.087  0.325  1.0
  H  H14  1  0.696  0.304  0.750  1.0
  H  H15  1  0.304  0.696  0.250  1.0
  O  O16  1  0.728  0.653  0.166  1.0
  O  O17  1  0.347  0.272  0.334  1.0
  O  O18  1  0.272  0.347  0.834  1.0
  O  O19  1  0.653  0.728  0.666  1.0
  O  O20  1  0.738  0.571  0.424  1.0
  O  O21  1  0.429  0.262  0.076  1.0
  O  O22  1  0.262  0.429  0.576  1.0
  O  O23  1  0.571  0.738  0.924  1.0
  O  O24  1  0.956  0.680  0.822  1.0
  O  O25  1  0.320  0.044  0.678  1.0
  O  O26  1  0.044  0.320  0.178  1.0
  O  O27  1  0.680  0.956  0.322  1.0
  O  O28  1  0.780  0.381  0.825  1.0
  O  O29  1  0.619  0.220  0.675  1.0
  O  O30  1  0.220  0.619  0.175  1.0
  O  O31  1  0.381  0.780  0.325  1.0
[/CIF]
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