The material structure described by Sm2Ta3(SO4)2 crystallizes in the orthorhombic P2_12_12 space group. Sm(1) is bonded in a 9-coordinate geometry to two equivalent S(1), one O(4), two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a 6-coordinate geometry to one O(1), one O(3), two equivalent O(2), and two equivalent O(4) atoms. In the second Ta site, Ta(2) is bonded to four equivalent S(1) and two equivalent O(1) atoms to form distorted edge-sharing TaS4O2 octahedra. S(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Sm(1) and two equivalent Ta(2) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Sm(1), one Ta(1), and one Ta(2) atom. In the second O site, O(2) is bonded to two equivalent Sm(1) and two equivalent Ta(1) atoms to form a mixture of distorted corner and edge-sharing OSm2Ta2 trigonal pyramids. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to two equivalent Sm(1) and one Ta(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Sm(1) and two equivalent Ta(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sm2Ta3(SO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.791
_cell_length_b   9.909
_cell_length_c   11.686
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   438.996
_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  0.501  0.218  0.343  1.0
  Sm  Sm1  1  0.501  0.782  0.657  1.0
  Sm  Sm2  1  0.499  0.718  0.157  1.0
  Sm  Sm3  1  0.499  0.282  0.843  1.0
  Ta  Ta4  1  0.000  0.864  0.416  1.0
  Ta  Ta5  1  0.000  0.136  0.584  1.0
  Ta  Ta6  1  1.000  0.364  0.084  1.0
  Ta  Ta7  1  1.000  0.636  0.916  1.0
  Ta  Ta8  1  0.018  0.500  0.500  1.0
  Ta  Ta9  1  0.982  0.000  0.000  1.0
  S  S10  1  0.513  0.517  0.353  1.0
  S  S11  1  0.513  0.483  0.647  1.0
  S  S12  1  0.487  0.017  0.147  1.0
  S  S13  1  0.487  0.983  0.853  1.0
  O  O14  1  0.004  0.303  0.473  1.0
  O  O15  1  0.004  0.697  0.527  1.0
  O  O16  1  0.996  0.803  0.027  1.0
  O  O17  1  0.996  0.197  0.973  1.0
  O  O18  1  1.000  0.058  0.393  1.0
  O  O19  1  1.000  0.942  0.607  1.0
  O  O20  1  0.000  0.558  0.107  1.0
  O  O21  1  0.000  0.442  0.893  1.0
  O  O22  1  0.001  0.282  0.227  1.0
  O  O23  1  0.001  0.718  0.773  1.0
  O  O24  1  0.999  0.782  0.273  1.0
  O  O25  1  0.999  0.218  0.727  1.0
  O  O26  1  0.501  0.143  0.546  1.0
  O  O27  1  0.501  0.857  0.454  1.0
  O  O28  1  0.499  0.643  0.954  1.0
  O  O29  1  0.499  0.357  0.046  1.0
[/CIF]
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The material structure described by Sm2Ta3(SO4)2 crystallizes in the orthorhombic P2_12_12 space group. Sm(1) is bonded in a 9-coordinate geometry to two equivalent S(1), one O(4), two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a 6-coordinate geometry to one O(1), one O(3), two equivalent O(2), and two equivalent O(4) atoms. In the second Ta site, Ta(2) is bonded to four equivalent S(1) and two equivalent O(1) atoms to form distorted edge-sharing TaS4O2 octahedra. S(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Sm(1) and two equivalent Ta(2) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Sm(1), one Ta(1), and one Ta(2) atom. In the second O site, O(2) is bonded to two equivalent Sm(1) and two equivalent Ta(1) atoms to form a mixture of distorted corner and edge-sharing OSm2Ta2 trigonal pyramids. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to two equivalent Sm(1) and one Ta(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Sm(1) and two equivalent Ta(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sm2Ta3(SO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.791
_cell_length_b   9.909
_cell_length_c   11.686
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   438.996
_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  0.501  0.218  0.343  1.0
  Sm  Sm1  1  0.501  0.782  0.657  1.0
  Sm  Sm2  1  0.499  0.718  0.157  1.0
  Sm  Sm3  1  0.499  0.282  0.843  1.0
  Ta  Ta4  1  0.000  0.864  0.416  1.0
  Ta  Ta5  1  0.000  0.136  0.584  1.0
  Ta  Ta6  1  1.000  0.364  0.084  1.0
  Ta  Ta7  1  1.000  0.636  0.916  1.0
  Ta  Ta8  1  0.018  0.500  0.500  1.0
  Ta  Ta9  1  0.982  0.000  0.000  1.0
  S  S10  1  0.513  0.517  0.353  1.0
  S  S11  1  0.513  0.483  0.647  1.0
  S  S12  1  0.487  0.017  0.147  1.0
  S  S13  1  0.487  0.983  0.853  1.0
  O  O14  1  0.004  0.303  0.473  1.0
  O  O15  1  0.004  0.697  0.527  1.0
  O  O16  1  0.996  0.803  0.027  1.0
  O  O17  1  0.996  0.197  0.973  1.0
  O  O18  1  1.000  0.058  0.393  1.0
  O  O19  1  1.000  0.942  0.607  1.0
  O  O20  1  0.000  0.558  0.107  1.0
  O  O21  1  0.000  0.442  0.893  1.0
  O  O22  1  0.001  0.282  0.227  1.0
  O  O23  1  0.001  0.718  0.773  1.0
  O  O24  1  0.999  0.782  0.273  1.0
  O  O25  1  0.999  0.218  0.727  1.0
  O  O26  1  0.501  0.143  0.546  1.0
  O  O27  1  0.501  0.857  0.454  1.0
  O  O28  1  0.499  0.643  0.954  1.0
  O  O29  1  0.499  0.357  0.046  1.0
[/CIF]
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