The compound described by Sm2(SO4)3 crystallizes in the monoclinic C2/c space group. Sm(1) is bonded in a 9-coordinate geometry to one O(3), one O(4), one O(6), two equivalent O(1), two equivalent O(2), and two equivalent O(5) atoms. There are two inequivalent S sites. In the first S site, S(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. In the second S site, S(2) is bonded in a tetrahedral geometry to two equivalent O(5) and two equivalent O(6) atoms. There are six inequivalent O sites. In the first O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Sm(1) and one S(1) atom. In the second O site, O(5) is bonded in a 3-coordinate geometry to two equivalent Sm(1) and one S(2) atom. In the third O site, O(6) is bonded in a distorted water-like geometry to one Sm(1) and one S(2) atom. In the fourth O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Sm(1) and one S(1) atom. In the fifth O site, O(2) is bonded in a 1-coordinate geometry to two equivalent Sm(1) and one S(1) atom. In the sixth O site, O(3) is bonded in a bent 150 degrees geometry to one Sm(1) and one S(1) atom. is represented by the CIF card [CIF]
data_Sm2(SO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.153
_cell_length_b   11.153
_cell_length_c   6.823
_cell_angle_alpha   73.701
_cell_angle_beta   73.701
_cell_angle_gamma   34.565
_symmetry_Int_Tables_number   1
_cell_volume   460.243
_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  0.723  0.013  0.132  1.0
  Sm  Sm1  1  0.277  0.987  0.868  1.0
  Sm  Sm2  1  0.987  0.277  0.368  1.0
  Sm  Sm3  1  0.013  0.723  0.632  1.0
  S  S4  1  0.502  0.865  0.320  1.0
  S  S5  1  0.498  0.135  0.680  1.0
  S  S6  1  0.135  0.498  0.180  1.0
  S  S7  1  0.865  0.502  0.820  1.0
  S  S8  1  0.831  0.169  0.250  1.0
  S  S9  1  0.169  0.831  0.750  1.0
  O  O10  1  0.341  0.963  0.196  1.0
  O  O11  1  0.659  0.037  0.804  1.0
  O  O12  1  0.037  0.659  0.304  1.0
  O  O13  1  0.963  0.341  0.696  1.0
  O  O14  1  0.625  0.019  0.494  1.0
  O  O15  1  0.375  0.981  0.506  1.0
  O  O16  1  0.981  0.375  0.006  1.0
  O  O17  1  0.019  0.625  0.994  1.0
  O  O18  1  0.359  0.346  0.127  1.0
  O  O19  1  0.641  0.654  0.873  1.0
  O  O20  1  0.654  0.641  0.373  1.0
  O  O21  1  0.346  0.359  0.627  1.0
  O  O22  1  0.606  0.897  0.206  1.0
  O  O23  1  0.394  0.103  0.794  1.0
  O  O24  1  0.103  0.394  0.294  1.0
  O  O25  1  0.897  0.606  0.706  1.0
  O  O26  1  0.907  0.981  0.360  1.0
  O  O27  1  0.093  0.019  0.640  1.0
  O  O28  1  0.019  0.093  0.140  1.0
  O  O29  1  0.981  0.907  0.860  1.0
  O  O30  1  0.686  0.264  0.109  1.0
  O  O31  1  0.314  0.736  0.891  1.0
  O  O32  1  0.736  0.314  0.391  1.0
  O  O33  1  0.264  0.686  0.609  1.0
[/CIF]
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The compound described by Sm2(SO4)3 crystallizes in the monoclinic C2/c space group. Sm(1) is bonded in a 9-coordinate geometry to one O(3), one O(4), one O(6), two equivalent O(1), two equivalent O(2), and two equivalent O(5) atoms. There are two inequivalent S sites. In the first S site, S(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. In the second S site, S(2) is bonded in a tetrahedral geometry to two equivalent O(5) and two equivalent O(6) atoms. There are six inequivalent O sites. In the first O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Sm(1) and one S(1) atom. In the second O site, O(5) is bonded in a 3-coordinate geometry to two equivalent Sm(1) and one S(2) atom. In the third O site, O(6) is bonded in a distorted water-like geometry to one Sm(1) and one S(2) atom. In the fourth O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Sm(1) and one S(1) atom. In the fifth O site, O(2) is bonded in a 1-coordinate geometry to two equivalent Sm(1) and one S(1) atom. In the sixth O site, O(3) is bonded in a bent 150 degrees geometry to one Sm(1) and one S(1) atom. is represented by the CIF card [CIF]
data_Sm2(SO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.153
_cell_length_b   11.153
_cell_length_c   6.823
_cell_angle_alpha   73.701
_cell_angle_beta   73.701
_cell_angle_gamma   34.565
_symmetry_Int_Tables_number   1
_cell_volume   460.243
_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  0.723  0.013  0.132  1.0
  Sm  Sm1  1  0.277  0.987  0.868  1.0
  Sm  Sm2  1  0.987  0.277  0.368  1.0
  Sm  Sm3  1  0.013  0.723  0.632  1.0
  S  S4  1  0.502  0.865  0.320  1.0
  S  S5  1  0.498  0.135  0.680  1.0
  S  S6  1  0.135  0.498  0.180  1.0
  S  S7  1  0.865  0.502  0.820  1.0
  S  S8  1  0.831  0.169  0.250  1.0
  S  S9  1  0.169  0.831  0.750  1.0
  O  O10  1  0.341  0.963  0.196  1.0
  O  O11  1  0.659  0.037  0.804  1.0
  O  O12  1  0.037  0.659  0.304  1.0
  O  O13  1  0.963  0.341  0.696  1.0
  O  O14  1  0.625  0.019  0.494  1.0
  O  O15  1  0.375  0.981  0.506  1.0
  O  O16  1  0.981  0.375  0.006  1.0
  O  O17  1  0.019  0.625  0.994  1.0
  O  O18  1  0.359  0.346  0.127  1.0
  O  O19  1  0.641  0.654  0.873  1.0
  O  O20  1  0.654  0.641  0.373  1.0
  O  O21  1  0.346  0.359  0.627  1.0
  O  O22  1  0.606  0.897  0.206  1.0
  O  O23  1  0.394  0.103  0.794  1.0
  O  O24  1  0.103  0.394  0.294  1.0
  O  O25  1  0.897  0.606  0.706  1.0
  O  O26  1  0.907  0.981  0.360  1.0
  O  O27  1  0.093  0.019  0.640  1.0
  O  O28  1  0.019  0.093  0.140  1.0
  O  O29  1  0.981  0.907  0.860  1.0
  O  O30  1  0.686  0.264  0.109  1.0
  O  O31  1  0.314  0.736  0.891  1.0
  O  O32  1  0.736  0.314  0.391  1.0
  O  O33  1  0.264  0.686  0.609  1.0
[/CIF]
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