The compound described by SmCP2H2O6 crystallizes in the monoclinic C2/m space group. Sm(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(3), and four equivalent O(2) atoms. C(1) is bonded in a distorted tetrahedral geometry to two equivalent P(1), one H(1), and one H(2) atom. P(1) is bonded to one C(1), one O(1), one O(2), and one O(3) atom to form distorted corner-sharing PCO3 tetrahedra. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one C(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one C(1) atom. There are three inequivalent O sites. In the first O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Sm(1) and one P(1) atom. In the second O site, O(1) is bonded in a distorted water-like geometry to one Sm(1) and one P(1) atom. In the third O site, O(2) is bonded in a 3-coordinate geometry to two equivalent Sm(1) and one P(1) atom. is represented by the CIF card [CIF]
data_SmP2H2CO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.323
_cell_length_b   8.103
_cell_length_c   8.230
_cell_angle_alpha   113.454
_cell_angle_beta   100.362
_cell_angle_gamma   106.948
_symmetry_Int_Tables_number   1
_cell_volume   293.297
_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
  Sm  Sm0  1  0.771  0.771  0.541  1.0
  Sm  Sm1  1  0.229  0.229  0.459  1.0
  P  P2  1  0.741  0.367  0.225  1.0
  P  P3  1  0.516  0.142  0.775  1.0
  P  P4  1  0.259  0.633  0.775  1.0
  P  P5  1  0.484  0.858  0.225  1.0
  H  H6  1  0.327  0.096  0.000  1.0
  H  H7  1  0.673  0.904  0.000  1.0
  H  H8  1  0.341  0.318  0.000  1.0
  H  H9  1  0.659  0.682  0.000  1.0
  C  C10  1  0.461  0.228  0.000  1.0
  C  C11  1  0.539  0.772  0.000  1.0
  O  O12  1  0.888  0.583  0.265  1.0
  O  O13  1  0.623  0.318  0.735  1.0
  O  O14  1  0.112  0.417  0.735  1.0
  O  O15  1  0.377  0.682  0.265  1.0
  O  O16  1  0.404  0.605  0.624  1.0
  O  O17  1  0.779  0.981  0.376  1.0
  O  O18  1  0.596  0.395  0.376  1.0
  O  O19  1  0.221  0.019  0.624  1.0
  O  O20  1  0.065  0.736  0.764  1.0
  O  O21  1  0.301  0.973  0.236  1.0
  O  O22  1  0.935  0.264  0.236  1.0
  O  O23  1  0.699  0.027  0.764  1.0
[/CIF]
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The compound described by SmCP2H2O6 crystallizes in the monoclinic C2/m space group. Sm(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(3), and four equivalent O(2) atoms. C(1) is bonded in a distorted tetrahedral geometry to two equivalent P(1), one H(1), and one H(2) atom. P(1) is bonded to one C(1), one O(1), one O(2), and one O(3) atom to form distorted corner-sharing PCO3 tetrahedra. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one C(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one C(1) atom. There are three inequivalent O sites. In the first O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Sm(1) and one P(1) atom. In the second O site, O(1) is bonded in a distorted water-like geometry to one Sm(1) and one P(1) atom. In the third O site, O(2) is bonded in a 3-coordinate geometry to two equivalent Sm(1) and one P(1) atom. is represented by the CIF card [CIF]
data_SmP2H2CO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.323
_cell_length_b   8.103
_cell_length_c   8.230
_cell_angle_alpha   113.454
_cell_angle_beta   100.362
_cell_angle_gamma   106.948
_symmetry_Int_Tables_number   1
_cell_volume   293.297
_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
  Sm  Sm0  1  0.771  0.771  0.541  1.0
  Sm  Sm1  1  0.229  0.229  0.459  1.0
  P  P2  1  0.741  0.367  0.225  1.0
  P  P3  1  0.516  0.142  0.775  1.0
  P  P4  1  0.259  0.633  0.775  1.0
  P  P5  1  0.484  0.858  0.225  1.0
  H  H6  1  0.327  0.096  0.000  1.0
  H  H7  1  0.673  0.904  0.000  1.0
  H  H8  1  0.341  0.318  0.000  1.0
  H  H9  1  0.659  0.682  0.000  1.0
  C  C10  1  0.461  0.228  0.000  1.0
  C  C11  1  0.539  0.772  0.000  1.0
  O  O12  1  0.888  0.583  0.265  1.0
  O  O13  1  0.623  0.318  0.735  1.0
  O  O14  1  0.112  0.417  0.735  1.0
  O  O15  1  0.377  0.682  0.265  1.0
  O  O16  1  0.404  0.605  0.624  1.0
  O  O17  1  0.779  0.981  0.376  1.0
  O  O18  1  0.596  0.395  0.376  1.0
  O  O19  1  0.221  0.019  0.624  1.0
  O  O20  1  0.065  0.736  0.764  1.0
  O  O21  1  0.301  0.973  0.236  1.0
  O  O22  1  0.935  0.264  0.236  1.0
  O  O23  1  0.699  0.027  0.764  1.0
[/CIF]
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