The crystal structure described by SmS3(NO3)3 crystallizes in the hexagonal P6_3/m space group. Sm(1) is bonded in a 9-coordinate geometry to three equivalent O(1) and six equivalent O(2) atoms. N(1) is bonded in a single-bond geometry to one S(1) atom. S(1) is bonded in a tetrahedral geometry to one N(1), one O(1), and two equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Sm(1) and one S(1) atom. In the second O site, O(2) is bonded in a distorted linear geometry to one Sm(1) and one S(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_SmS3(NO3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.861
_cell_length_b   9.861
_cell_length_c   5.797
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   488.163
_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  0.667  0.333  0.250  1.0
  Sm  Sm1  1  0.333  0.667  0.750  1.0
  S  S2  1  0.087  0.401  0.250  1.0
  S  S3  1  0.913  0.599  0.750  1.0
  S  S4  1  0.599  0.686  0.250  1.0
  S  S5  1  0.401  0.314  0.750  1.0
  S  S6  1  0.314  0.913  0.250  1.0
  S  S7  1  0.686  0.087  0.750  1.0
  N  N8  1  0.145  0.269  0.250  1.0
  N  N9  1  0.855  0.731  0.750  1.0
  N  N10  1  0.731  0.875  0.250  1.0
  N  N11  1  0.269  0.125  0.750  1.0
  N  N12  1  0.125  0.855  0.250  1.0
  N  N13  1  0.875  0.145  0.750  1.0
  O  O14  1  0.395  0.084  0.250  1.0
  O  O15  1  0.605  0.916  0.750  1.0
  O  O16  1  0.916  0.310  0.250  1.0
  O  O17  1  0.084  0.690  0.750  1.0
  O  O18  1  0.690  0.605  0.250  1.0
  O  O19  1  0.310  0.395  0.750  1.0
  O  O20  1  0.152  0.494  0.040  1.0
  O  O21  1  0.848  0.506  0.960  1.0
  O  O22  1  0.506  0.658  0.040  1.0
  O  O23  1  0.848  0.506  0.540  1.0
  O  O24  1  0.494  0.342  0.960  1.0
  O  O25  1  0.152  0.494  0.460  1.0
  O  O26  1  0.342  0.848  0.040  1.0
  O  O27  1  0.494  0.342  0.540  1.0
  O  O28  1  0.658  0.152  0.960  1.0
  O  O29  1  0.506  0.658  0.460  1.0
  O  O30  1  0.658  0.152  0.540  1.0
  O  O31  1  0.342  0.848  0.460  1.0
[/CIF]
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The crystal structure described by SmS3(NO3)3 crystallizes in the hexagonal P6_3/m space group. Sm(1) is bonded in a 9-coordinate geometry to three equivalent O(1) and six equivalent O(2) atoms. N(1) is bonded in a single-bond geometry to one S(1) atom. S(1) is bonded in a tetrahedral geometry to one N(1), one O(1), and two equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Sm(1) and one S(1) atom. In the second O site, O(2) is bonded in a distorted linear geometry to one Sm(1) and one S(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_SmS3(NO3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.861
_cell_length_b   9.861
_cell_length_c   5.797
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   488.163
_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  0.667  0.333  0.250  1.0
  Sm  Sm1  1  0.333  0.667  0.750  1.0
  S  S2  1  0.087  0.401  0.250  1.0
  S  S3  1  0.913  0.599  0.750  1.0
  S  S4  1  0.599  0.686  0.250  1.0
  S  S5  1  0.401  0.314  0.750  1.0
  S  S6  1  0.314  0.913  0.250  1.0
  S  S7  1  0.686  0.087  0.750  1.0
  N  N8  1  0.145  0.269  0.250  1.0
  N  N9  1  0.855  0.731  0.750  1.0
  N  N10  1  0.731  0.875  0.250  1.0
  N  N11  1  0.269  0.125  0.750  1.0
  N  N12  1  0.125  0.855  0.250  1.0
  N  N13  1  0.875  0.145  0.750  1.0
  O  O14  1  0.395  0.084  0.250  1.0
  O  O15  1  0.605  0.916  0.750  1.0
  O  O16  1  0.916  0.310  0.250  1.0
  O  O17  1  0.084  0.690  0.750  1.0
  O  O18  1  0.690  0.605  0.250  1.0
  O  O19  1  0.310  0.395  0.750  1.0
  O  O20  1  0.152  0.494  0.040  1.0
  O  O21  1  0.848  0.506  0.960  1.0
  O  O22  1  0.506  0.658  0.040  1.0
  O  O23  1  0.848  0.506  0.540  1.0
  O  O24  1  0.494  0.342  0.960  1.0
  O  O25  1  0.152  0.494  0.460  1.0
  O  O26  1  0.342  0.848  0.040  1.0
  O  O27  1  0.494  0.342  0.540  1.0
  O  O28  1  0.658  0.152  0.960  1.0
  O  O29  1  0.506  0.658  0.460  1.0
  O  O30  1  0.658  0.152  0.540  1.0
  O  O31  1  0.342  0.848  0.460  1.0
[/CIF]
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