The crystal structure described by Sm3B(SO)3 crystallizes in the triclinic P-1 space group. There are three inequivalent Sm sites. In the first Sm site, Sm(1) is bonded in a 7-coordinate geometry to one S(2), two equivalent S(1), three equivalent S(3), and one O(3) atom. In the second Sm site, Sm(2) is bonded in a 7-coordinate geometry to three equivalent S(2), one O(2), one O(3), and two equivalent O(1) atoms. In the third Sm site, Sm(3) is bonded in a 9-coordinate geometry to one S(2), two equivalent S(3), three equivalent S(1), one O(3), and two equivalent O(2) atoms. B(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. There are three inequivalent S sites. In the first S site, S(1) is bonded in a 5-coordinate geometry to two equivalent Sm(1) and three equivalent Sm(3) atoms. In the second S site, S(2) is bonded to one Sm(1), one Sm(3), and three equivalent Sm(2) atoms to form a mixture of distorted corner and edge-sharing SSm5 trigonal bipyramids. In the third S site, S(3) is bonded to two equivalent Sm(3) and three equivalent Sm(1) atoms to form a mixture of distorted corner and edge-sharing SSm5 trigonal bipyramids. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Sm(2) and one B(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Sm(2), two equivalent Sm(3), and one B(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Sm(1), one Sm(2), one Sm(3), and one B(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sm3B(SO)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.051
_cell_length_b   7.715
_cell_length_c   11.311
_cell_angle_alpha   91.055
_cell_angle_beta   91.436
_cell_angle_gamma   90.573
_symmetry_Int_Tables_number   1
_cell_volume   353.297
_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  0.765  0.139  0.647  1.0
  Sm  Sm1  1  0.235  0.861  0.353  1.0
  Sm  Sm2  1  0.727  0.238  0.006  1.0
  Sm  Sm3  1  0.273  0.762  0.994  1.0
  Sm  Sm4  1  0.729  0.630  0.676  1.0
  Sm  Sm5  1  0.271  0.370  0.324  1.0
  B  B6  1  0.109  0.440  0.851  1.0
  B  B7  1  0.891  0.560  0.149  1.0
  S  S8  1  0.265  0.373  0.582  1.0
  S  S9  1  0.735  0.627  0.418  1.0
  S  S10  1  0.751  0.941  0.861  1.0
  S  S11  1  0.249  0.059  0.139  1.0
  S  S12  1  0.753  0.116  0.395  1.0
  S  S13  1  0.247  0.884  0.605  1.0
  O  O14  1  0.235  0.371  0.955  1.0
  O  O15  1  0.765  0.629  0.045  1.0
  O  O16  1  0.781  0.402  0.189  1.0
  O  O17  1  0.219  0.598  0.811  1.0
  O  O18  1  0.825  0.363  0.801  1.0
  O  O19  1  0.175  0.637  0.199  1.0
[/CIF]
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The crystal structure described by Sm3B(SO)3 crystallizes in the triclinic P-1 space group. There are three inequivalent Sm sites. In the first Sm site, Sm(1) is bonded in a 7-coordinate geometry to one S(2), two equivalent S(1), three equivalent S(3), and one O(3) atom. In the second Sm site, Sm(2) is bonded in a 7-coordinate geometry to three equivalent S(2), one O(2), one O(3), and two equivalent O(1) atoms. In the third Sm site, Sm(3) is bonded in a 9-coordinate geometry to one S(2), two equivalent S(3), three equivalent S(1), one O(3), and two equivalent O(2) atoms. B(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. There are three inequivalent S sites. In the first S site, S(1) is bonded in a 5-coordinate geometry to two equivalent Sm(1) and three equivalent Sm(3) atoms. In the second S site, S(2) is bonded to one Sm(1), one Sm(3), and three equivalent Sm(2) atoms to form a mixture of distorted corner and edge-sharing SSm5 trigonal bipyramids. In the third S site, S(3) is bonded to two equivalent Sm(3) and three equivalent Sm(1) atoms to form a mixture of distorted corner and edge-sharing SSm5 trigonal bipyramids. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Sm(2) and one B(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Sm(2), two equivalent Sm(3), and one B(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Sm(1), one Sm(2), one Sm(3), and one B(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sm3B(SO)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.051
_cell_length_b   7.715
_cell_length_c   11.311
_cell_angle_alpha   91.055
_cell_angle_beta   91.436
_cell_angle_gamma   90.573
_symmetry_Int_Tables_number   1
_cell_volume   353.297
_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  0.765  0.139  0.647  1.0
  Sm  Sm1  1  0.235  0.861  0.353  1.0
  Sm  Sm2  1  0.727  0.238  0.006  1.0
  Sm  Sm3  1  0.273  0.762  0.994  1.0
  Sm  Sm4  1  0.729  0.630  0.676  1.0
  Sm  Sm5  1  0.271  0.370  0.324  1.0
  B  B6  1  0.109  0.440  0.851  1.0
  B  B7  1  0.891  0.560  0.149  1.0
  S  S8  1  0.265  0.373  0.582  1.0
  S  S9  1  0.735  0.627  0.418  1.0
  S  S10  1  0.751  0.941  0.861  1.0
  S  S11  1  0.249  0.059  0.139  1.0
  S  S12  1  0.753  0.116  0.395  1.0
  S  S13  1  0.247  0.884  0.605  1.0
  O  O14  1  0.235  0.371  0.955  1.0
  O  O15  1  0.765  0.629  0.045  1.0
  O  O16  1  0.781  0.402  0.189  1.0
  O  O17  1  0.219  0.598  0.811  1.0
  O  O18  1  0.825  0.363  0.801  1.0
  O  O19  1  0.175  0.637  0.199  1.0
[/CIF]
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