The compound described by CsP2(HO2)3 crystallizes in the triclinic P-1 space group. Cs(1) is bonded in a 11-coordinate geometry to one H(3), one O(3), one O(5), two equivalent O(1), two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms. There are two inequivalent P sites. In the first P site, P(1) is bonded in a trigonal non-coplanar geometry to one O(1), one O(2), and one O(3) atom. In the second P site, P(2) is bonded in a trigonal non-coplanar geometry to one O(4), one O(5), and one O(6) atom. There are three inequivalent H sites. In the first H site, H(1) is bonded in a linear geometry to one O(2) and one O(5) 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 distorted linear geometry to one Cs(1), one O(1), and one O(6) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to two equivalent Cs(1), one P(1), and one H(3) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to two equivalent Cs(1), 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 Cs(1), one P(1), and one H(2) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to two equivalent Cs(1), one P(2), and one H(2) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Cs(1), one P(2), and one H(1) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to two equivalent Cs(1), one P(2), and one H(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CsP2(HO2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.493
_cell_length_b   7.705
_cell_length_c   7.977
_cell_angle_alpha   87.718
_cell_angle_beta   115.244
_cell_angle_gamma   118.665
_symmetry_Int_Tables_number   1
_cell_volume   357.521
_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  0.461  0.795  0.764  1.0
  Cs  Cs1  1  0.539  0.205  0.236  1.0
  P  P2  1  0.047  0.078  0.639  1.0
  P  P3  1  0.953  0.922  0.361  1.0
  P  P4  1  0.147  0.520  0.133  1.0
  P  P5  1  0.853  0.480  0.867  1.0
  H  H6  1  0.994  0.825  0.819  1.0
  H  H7  1  0.006  0.175  0.181  1.0
  H  H8  1  0.424  0.296  0.757  1.0
  H  H9  1  0.576  0.704  0.243  1.0
  H  H10  1  0.109  0.698  0.315  1.0
  H  H11  1  0.891  0.302  0.685  1.0
  O  O12  1  0.847  0.094  0.623  1.0
  O  O13  1  0.153  0.906  0.377  1.0
  O  O14  1  0.127  0.960  0.790  1.0
  O  O15  1  0.873  0.040  0.210  1.0
  O  O16  1  0.265  0.292  0.687  1.0
  O  O17  1  0.735  0.708  0.313  1.0
  O  O18  1  0.364  0.701  0.142  1.0
  O  O19  1  0.636  0.299  0.858  1.0
  O  O20  1  0.150  0.322  0.143  1.0
  O  O21  1  0.850  0.678  0.857  1.0
  O  O22  1  0.092  0.558  0.295  1.0
  O  O23  1  0.908  0.442  0.705  1.0
[/CIF]
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The compound described by CsP2(HO2)3 crystallizes in the triclinic P-1 space group. Cs(1) is bonded in a 11-coordinate geometry to one H(3), one O(3), one O(5), two equivalent O(1), two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms. There are two inequivalent P sites. In the first P site, P(1) is bonded in a trigonal non-coplanar geometry to one O(1), one O(2), and one O(3) atom. In the second P site, P(2) is bonded in a trigonal non-coplanar geometry to one O(4), one O(5), and one O(6) atom. There are three inequivalent H sites. In the first H site, H(1) is bonded in a linear geometry to one O(2) and one O(5) 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 distorted linear geometry to one Cs(1), one O(1), and one O(6) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to two equivalent Cs(1), one P(1), and one H(3) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to two equivalent Cs(1), 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 Cs(1), one P(1), and one H(2) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to two equivalent Cs(1), one P(2), and one H(2) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Cs(1), one P(2), and one H(1) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to two equivalent Cs(1), one P(2), and one H(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CsP2(HO2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.493
_cell_length_b   7.705
_cell_length_c   7.977
_cell_angle_alpha   87.718
_cell_angle_beta   115.244
_cell_angle_gamma   118.665
_symmetry_Int_Tables_number   1
_cell_volume   357.521
_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  0.461  0.795  0.764  1.0
  Cs  Cs1  1  0.539  0.205  0.236  1.0
  P  P2  1  0.047  0.078  0.639  1.0
  P  P3  1  0.953  0.922  0.361  1.0
  P  P4  1  0.147  0.520  0.133  1.0
  P  P5  1  0.853  0.480  0.867  1.0
  H  H6  1  0.994  0.825  0.819  1.0
  H  H7  1  0.006  0.175  0.181  1.0
  H  H8  1  0.424  0.296  0.757  1.0
  H  H9  1  0.576  0.704  0.243  1.0
  H  H10  1  0.109  0.698  0.315  1.0
  H  H11  1  0.891  0.302  0.685  1.0
  O  O12  1  0.847  0.094  0.623  1.0
  O  O13  1  0.153  0.906  0.377  1.0
  O  O14  1  0.127  0.960  0.790  1.0
  O  O15  1  0.873  0.040  0.210  1.0
  O  O16  1  0.265  0.292  0.687  1.0
  O  O17  1  0.735  0.708  0.313  1.0
  O  O18  1  0.364  0.701  0.142  1.0
  O  O19  1  0.636  0.299  0.858  1.0
  O  O20  1  0.150  0.322  0.143  1.0
  O  O21  1  0.850  0.678  0.857  1.0
  O  O22  1  0.092  0.558  0.295  1.0
  O  O23  1  0.908  0.442  0.705  1.0
[/CIF]
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