The crystal structure described by SmHSO5 crystallizes in the monoclinic P2_1/c space group. Sm(1) is bonded in a 9-coordinate geometry to one O(3), one O(5), two equivalent O(2), two equivalent O(4), and three equivalent O(1) atoms. H(1) is bonded in a single-bond geometry to one O(1) atom. S(1) is bonded in a tetrahedral geometry to one O(2), one O(3), one O(4), and one O(5) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to three equivalent Sm(1) and one H(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to two equivalent Sm(1) and one S(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Sm(1) and one S(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to two equivalent Sm(1) and one S(1) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one Sm(1) and one S(1) atom. is represented by the CIF card [CIF]
data_SmHSO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.347
_cell_length_b   4.494
_cell_length_c   7.050
_cell_angle_alpha   68.799
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   364.659
_cell_formula_units_Z   4
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  0.563  0.340  0.802  1.0
  Sm  Sm1  1  0.063  0.660  0.698  1.0
  Sm  Sm2  1  0.437  0.660  0.198  1.0
  Sm  Sm3  1  0.937  0.340  0.302  1.0
  H  H4  1  0.342  0.288  0.984  1.0
  H  H5  1  0.158  0.288  0.484  1.0
  H  H6  1  0.658  0.712  0.016  1.0
  H  H7  1  0.842  0.712  0.516  1.0
  S  S8  1  0.853  0.096  0.886  1.0
  S  S9  1  0.353  0.904  0.614  1.0
  S  S10  1  0.147  0.904  0.114  1.0
  S  S11  1  0.647  0.096  0.386  1.0
  O  O12  1  0.585  0.738  0.955  1.0
  O  O13  1  0.085  0.262  0.545  1.0
  O  O14  1  0.415  0.262  0.045  1.0
  O  O15  1  0.915  0.738  0.455  1.0
  O  O16  1  0.902  0.035  0.710  1.0
  O  O17  1  0.402  0.965  0.790  1.0
  O  O18  1  0.098  0.965  0.290  1.0
  O  O19  1  0.598  0.035  0.210  1.0
  O  O20  1  0.753  0.281  0.822  1.0
  O  O21  1  0.253  0.719  0.678  1.0
  O  O22  1  0.247  0.719  0.178  1.0
  O  O23  1  0.747  0.281  0.322  1.0
  O  O24  1  0.933  0.296  0.952  1.0
  O  O25  1  0.433  0.704  0.548  1.0
  O  O26  1  0.067  0.704  0.048  1.0
  O  O27  1  0.567  0.296  0.452  1.0
  O  O28  1  0.832  0.797  0.056  1.0
  O  O29  1  0.332  0.203  0.444  1.0
  O  O30  1  0.168  0.203  0.944  1.0
  O  O31  1  0.668  0.797  0.556  1.0
[/CIF]
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The crystal structure described by SmHSO5 crystallizes in the monoclinic P2_1/c space group. Sm(1) is bonded in a 9-coordinate geometry to one O(3), one O(5), two equivalent O(2), two equivalent O(4), and three equivalent O(1) atoms. H(1) is bonded in a single-bond geometry to one O(1) atom. S(1) is bonded in a tetrahedral geometry to one O(2), one O(3), one O(4), and one O(5) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to three equivalent Sm(1) and one H(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to two equivalent Sm(1) and one S(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Sm(1) and one S(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to two equivalent Sm(1) and one S(1) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one Sm(1) and one S(1) atom. is represented by the CIF card [CIF]
data_SmHSO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.347
_cell_length_b   4.494
_cell_length_c   7.050
_cell_angle_alpha   68.799
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   364.659
_cell_formula_units_Z   4
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  0.563  0.340  0.802  1.0
  Sm  Sm1  1  0.063  0.660  0.698  1.0
  Sm  Sm2  1  0.437  0.660  0.198  1.0
  Sm  Sm3  1  0.937  0.340  0.302  1.0
  H  H4  1  0.342  0.288  0.984  1.0
  H  H5  1  0.158  0.288  0.484  1.0
  H  H6  1  0.658  0.712  0.016  1.0
  H  H7  1  0.842  0.712  0.516  1.0
  S  S8  1  0.853  0.096  0.886  1.0
  S  S9  1  0.353  0.904  0.614  1.0
  S  S10  1  0.147  0.904  0.114  1.0
  S  S11  1  0.647  0.096  0.386  1.0
  O  O12  1  0.585  0.738  0.955  1.0
  O  O13  1  0.085  0.262  0.545  1.0
  O  O14  1  0.415  0.262  0.045  1.0
  O  O15  1  0.915  0.738  0.455  1.0
  O  O16  1  0.902  0.035  0.710  1.0
  O  O17  1  0.402  0.965  0.790  1.0
  O  O18  1  0.098  0.965  0.290  1.0
  O  O19  1  0.598  0.035  0.210  1.0
  O  O20  1  0.753  0.281  0.822  1.0
  O  O21  1  0.253  0.719  0.678  1.0
  O  O22  1  0.247  0.719  0.178  1.0
  O  O23  1  0.747  0.281  0.322  1.0
  O  O24  1  0.933  0.296  0.952  1.0
  O  O25  1  0.433  0.704  0.548  1.0
  O  O26  1  0.067  0.704  0.048  1.0
  O  O27  1  0.567  0.296  0.452  1.0
  O  O28  1  0.832  0.797  0.056  1.0
  O  O29  1  0.332  0.203  0.444  1.0
  O  O30  1  0.168  0.203  0.944  1.0
  O  O31  1  0.668  0.797  0.556  1.0
[/CIF]
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