The crystal structure described by La3WFe(SO2)3 crystallizes in the hexagonal P6_3/m space group. La(1) is bonded in a 10-coordinate geometry to four equivalent S(1) and six equivalent O(1) atoms. W(1) is bonded in a distorted pentagonal pyramidal geometry to six equivalent O(1) atoms. Fe(1) is bonded to six equivalent S(1) atoms to form face-sharing FeS6 octahedra. S(1) is bonded to four equivalent La(1) and two equivalent Fe(1) atoms to form distorted SLa4Fe2 octahedra that share corners with four equivalent S(1)La4Fe2 octahedra, corners with sixteen equivalent O(1)La3W tetrahedra, edges with four equivalent O(1)La3W tetrahedra, and faces with six equivalent S(1)La4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 0-58°. O(1) is bonded to three equivalent La(1) and one W(1) atom to form OLa3W tetrahedra that share corners with eight equivalent S(1)La4Fe2 octahedra, corners with ten equivalent O(1)La3W tetrahedra, edges with two equivalent S(1)La4Fe2 octahedra, and edges with five equivalent O(1)La3W tetrahedra. The corner-sharing octahedral tilt angles range from 23-100°. is represented by the CIF card [CIF]
data_La3FeW(SO2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.609
_cell_length_b   9.532
_cell_length_c   9.532
_cell_angle_alpha   60.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   441.403
_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
  La  La0  1  0.250  0.911  0.681  1.0
  La  La1  1  0.250  0.408  0.911  1.0
  La  La2  1  0.250  0.681  0.408  1.0
  La  La3  1  0.750  0.089  0.319  1.0
  La  La4  1  0.750  0.592  0.089  1.0
  La  La5  1  0.750  0.319  0.592  1.0
  Fe  Fe6  1  1.000  0.000  0.000  1.0
  Fe  Fe7  1  0.500  1.000  1.000  1.0
  W  W8  1  0.250  0.333  0.333  1.0
  W  W9  1  0.750  0.667  0.667  1.0
  S  S10  1  0.750  0.817  0.229  1.0
  S  S11  1  0.750  0.954  0.817  1.0
  S  S12  1  0.750  0.229  0.954  1.0
  S  S13  1  0.250  0.183  0.771  1.0
  S  S14  1  0.250  0.046  0.183  1.0
  S  S15  1  0.250  0.771  0.046  1.0
  O  O16  1  0.524  0.839  0.527  1.0
  O  O17  1  0.524  0.634  0.839  1.0
  O  O18  1  0.524  0.527  0.634  1.0
  O  O19  1  0.024  0.161  0.473  1.0
  O  O20  1  0.024  0.366  0.161  1.0
  O  O21  1  0.024  0.473  0.366  1.0
  O  O22  1  0.476  0.161  0.473  1.0
  O  O23  1  0.476  0.366  0.161  1.0
  O  O24  1  0.476  0.473  0.366  1.0
  O  O25  1  0.976  0.839  0.527  1.0
  O  O26  1  0.976  0.634  0.839  1.0
  O  O27  1  0.976  0.527  0.634  1.0
[/CIF]
.
The crystal structure described by La3WFe(SO2)3 crystallizes in the hexagonal P6_3/m space group. La(1) is bonded in a 10-coordinate geometry to four equivalent S(1) and six equivalent O(1) atoms. W(1) is bonded in a distorted pentagonal pyramidal geometry to six equivalent O(1) atoms. Fe(1) is bonded to six equivalent S(1) atoms to form face-sharing FeS6 octahedra. S(1) is bonded to four equivalent La(1) and two equivalent Fe(1) atoms to form distorted SLa4Fe2 octahedra that share corners with four equivalent S(1)La4Fe2 octahedra, corners with sixteen equivalent O(1)La3W tetrahedra, edges with four equivalent O(1)La3W tetrahedra, and faces with six equivalent S(1)La4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 0-58°. O(1) is bonded to three equivalent La(1) and one W(1) atom to form OLa3W tetrahedra that share corners with eight equivalent S(1)La4Fe2 octahedra, corners with ten equivalent O(1)La3W tetrahedra, edges with two equivalent S(1)La4Fe2 octahedra, and edges with five equivalent O(1)La3W tetrahedra. The corner-sharing octahedral tilt angles range from 23-100°. is represented by the CIF card [CIF]
data_La3FeW(SO2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.609
_cell_length_b   9.532
_cell_length_c   9.532
_cell_angle_alpha   60.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   441.403
_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
  La  La0  1  0.250  0.911  0.681  1.0
  La  La1  1  0.250  0.408  0.911  1.0
  La  La2  1  0.250  0.681  0.408  1.0
  La  La3  1  0.750  0.089  0.319  1.0
  La  La4  1  0.750  0.592  0.089  1.0
  La  La5  1  0.750  0.319  0.592  1.0
  Fe  Fe6  1  1.000  0.000  0.000  1.0
  Fe  Fe7  1  0.500  1.000  1.000  1.0
  W  W8  1  0.250  0.333  0.333  1.0
  W  W9  1  0.750  0.667  0.667  1.0
  S  S10  1  0.750  0.817  0.229  1.0
  S  S11  1  0.750  0.954  0.817  1.0
  S  S12  1  0.750  0.229  0.954  1.0
  S  S13  1  0.250  0.183  0.771  1.0
  S  S14  1  0.250  0.046  0.183  1.0
  S  S15  1  0.250  0.771  0.046  1.0
  O  O16  1  0.524  0.839  0.527  1.0
  O  O17  1  0.524  0.634  0.839  1.0
  O  O18  1  0.524  0.527  0.634  1.0
  O  O19  1  0.024  0.161  0.473  1.0
  O  O20  1  0.024  0.366  0.161  1.0
  O  O21  1  0.024  0.473  0.366  1.0
  O  O22  1  0.476  0.161  0.473  1.0
  O  O23  1  0.476  0.366  0.161  1.0
  O  O24  1  0.476  0.473  0.366  1.0
  O  O25  1  0.976  0.839  0.527  1.0
  O  O26  1  0.976  0.634  0.839  1.0
  O  O27  1  0.976  0.527  0.634  1.0
[/CIF]
.