The structure described by La3WMn(SO2)3 crystallizes in the triclinic P-1 space group. There are three inequivalent La sites. In the first La site, La(1) is bonded in a 10-coordinate geometry to one S(1), one S(2), two equivalent S(3), one O(4), one O(5), two equivalent O(1), and two equivalent O(2) atoms. In the second La site, La(2) is bonded in a 10-coordinate geometry to one S(2), one S(3), two equivalent S(1), one O(1), one O(2), two equivalent O(3), and two equivalent O(6) atoms. In the third La site, La(3) is bonded in a 10-coordinate geometry to one S(1), one S(3), two equivalent S(2), one O(3), one O(6), two equivalent O(4), and two equivalent O(5) atoms. W(1) is bonded in a distorted pentagonal pyramidal geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent S(1), two equivalent S(2), and two equivalent S(3) atoms to form face-sharing MnS6 octahedra. In the second Mn site, Mn(2) is bonded to two equivalent S(1), two equivalent S(2), and two equivalent S(3) atoms to form face-sharing MnS6 octahedra. There are three inequivalent S sites. In the first S site, S(1) is bonded in a 6-coordinate geometry to one La(1), one La(3), two equivalent La(2), one Mn(1), and one Mn(2) atom. In the second S site, S(2) is bonded in a 6-coordinate geometry to one La(1), one La(2), two equivalent La(3), one Mn(1), and one Mn(2) atom. In the third S site, S(3) is bonded in a 6-coordinate geometry to one La(2), one La(3), two equivalent La(1), one Mn(1), and one Mn(2) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded to one La(2), two equivalent La(1), and one W(1) atom to form a mixture of distorted edge and corner-sharing OLa3W tetrahedra. In the second O site, O(2) is bonded to one La(2), two equivalent La(1), and one W(1) atom to form a mixture of edge and corner-sharing OLa3W tetrahedra. In the third O site, O(3) is bonded to one La(3), two equivalent La(2), and one W(1) atom to form a mixture of distorted edge and corner-sharing OLa3W tetrahedra. In the fourth O site, O(4) is bonded to one La(1), two equivalent La(3), and one W(1) atom to form a mixture of edge and corner-sharing OLa3W tetrahedra. In the fifth O site, O(5) is bonded to one La(1), two equivalent La(3), and one W(1) atom to form a mixture of distorted edge and corner-sharing OLa3W tetrahedra. In the sixth O site, O(6) is bonded to one La(3), two equivalent La(2), and one W(1) atom to form a mixture of distorted edge and corner-sharing OLa3W tetrahedra. is represented by the CIF file [CIF]
data_La3MnW(SO2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.547
_cell_length_b   9.545
_cell_length_c   5.636
_cell_angle_alpha   90.506
_cell_angle_beta   89.210
_cell_angle_gamma   120.031
_symmetry_Int_Tables_number   1
_cell_volume   444.594
_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  0.679  0.592  0.250  1.0
  La  La1  1  0.321  0.408  0.750  1.0
  La  La2  1  0.592  0.913  0.750  1.0
  La  La3  1  0.087  0.679  0.750  1.0
  La  La4  1  0.913  0.321  0.250  1.0
  La  La5  1  0.408  0.087  0.250  1.0
  Mn  Mn6  1  1.000  0.000  0.000  1.0
  Mn  Mn7  1  0.000  0.000  0.500  1.0
  W  W8  1  0.333  0.667  0.250  1.0
  W  W9  1  0.667  0.333  0.750  1.0
  S  S10  1  0.769  0.955  0.237  1.0
  S  S11  1  0.231  0.045  0.763  1.0
  S  S12  1  0.045  0.814  0.260  1.0
  S  S13  1  0.185  0.230  0.253  1.0
  S  S14  1  0.815  0.770  0.747  1.0
  S  S15  1  0.955  0.186  0.740  1.0
  O  O16  1  0.472  0.632  0.025  1.0
  O  O17  1  0.529  0.367  0.526  1.0
  O  O18  1  0.367  0.839  0.026  1.0
  O  O19  1  0.161  0.528  0.025  1.0
  O  O20  1  0.840  0.472  0.525  1.0
  O  O21  1  0.632  0.160  0.525  1.0
  O  O22  1  0.528  0.368  0.975  1.0
  O  O23  1  0.471  0.633  0.474  1.0
  O  O24  1  0.633  0.161  0.974  1.0
  O  O25  1  0.839  0.472  0.975  1.0
  O  O26  1  0.160  0.528  0.475  1.0
  O  O27  1  0.368  0.840  0.475  1.0
[/CIF]
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The structure described by La3WMn(SO2)3 crystallizes in the triclinic P-1 space group. There are three inequivalent La sites. In the first La site, La(1) is bonded in a 10-coordinate geometry to one S(1), one S(2), two equivalent S(3), one O(4), one O(5), two equivalent O(1), and two equivalent O(2) atoms. In the second La site, La(2) is bonded in a 10-coordinate geometry to one S(2), one S(3), two equivalent S(1), one O(1), one O(2), two equivalent O(3), and two equivalent O(6) atoms. In the third La site, La(3) is bonded in a 10-coordinate geometry to one S(1), one S(3), two equivalent S(2), one O(3), one O(6), two equivalent O(4), and two equivalent O(5) atoms. W(1) is bonded in a distorted pentagonal pyramidal geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent S(1), two equivalent S(2), and two equivalent S(3) atoms to form face-sharing MnS6 octahedra. In the second Mn site, Mn(2) is bonded to two equivalent S(1), two equivalent S(2), and two equivalent S(3) atoms to form face-sharing MnS6 octahedra. There are three inequivalent S sites. In the first S site, S(1) is bonded in a 6-coordinate geometry to one La(1), one La(3), two equivalent La(2), one Mn(1), and one Mn(2) atom. In the second S site, S(2) is bonded in a 6-coordinate geometry to one La(1), one La(2), two equivalent La(3), one Mn(1), and one Mn(2) atom. In the third S site, S(3) is bonded in a 6-coordinate geometry to one La(2), one La(3), two equivalent La(1), one Mn(1), and one Mn(2) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded to one La(2), two equivalent La(1), and one W(1) atom to form a mixture of distorted edge and corner-sharing OLa3W tetrahedra. In the second O site, O(2) is bonded to one La(2), two equivalent La(1), and one W(1) atom to form a mixture of edge and corner-sharing OLa3W tetrahedra. In the third O site, O(3) is bonded to one La(3), two equivalent La(2), and one W(1) atom to form a mixture of distorted edge and corner-sharing OLa3W tetrahedra. In the fourth O site, O(4) is bonded to one La(1), two equivalent La(3), and one W(1) atom to form a mixture of edge and corner-sharing OLa3W tetrahedra. In the fifth O site, O(5) is bonded to one La(1), two equivalent La(3), and one W(1) atom to form a mixture of distorted edge and corner-sharing OLa3W tetrahedra. In the sixth O site, O(6) is bonded to one La(3), two equivalent La(2), and one W(1) atom to form a mixture of distorted edge and corner-sharing OLa3W tetrahedra. is represented by the CIF file [CIF]
data_La3MnW(SO2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.547
_cell_length_b   9.545
_cell_length_c   5.636
_cell_angle_alpha   90.506
_cell_angle_beta   89.210
_cell_angle_gamma   120.031
_symmetry_Int_Tables_number   1
_cell_volume   444.594
_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  0.679  0.592  0.250  1.0
  La  La1  1  0.321  0.408  0.750  1.0
  La  La2  1  0.592  0.913  0.750  1.0
  La  La3  1  0.087  0.679  0.750  1.0
  La  La4  1  0.913  0.321  0.250  1.0
  La  La5  1  0.408  0.087  0.250  1.0
  Mn  Mn6  1  1.000  0.000  0.000  1.0
  Mn  Mn7  1  0.000  0.000  0.500  1.0
  W  W8  1  0.333  0.667  0.250  1.0
  W  W9  1  0.667  0.333  0.750  1.0
  S  S10  1  0.769  0.955  0.237  1.0
  S  S11  1  0.231  0.045  0.763  1.0
  S  S12  1  0.045  0.814  0.260  1.0
  S  S13  1  0.185  0.230  0.253  1.0
  S  S14  1  0.815  0.770  0.747  1.0
  S  S15  1  0.955  0.186  0.740  1.0
  O  O16  1  0.472  0.632  0.025  1.0
  O  O17  1  0.529  0.367  0.526  1.0
  O  O18  1  0.367  0.839  0.026  1.0
  O  O19  1  0.161  0.528  0.025  1.0
  O  O20  1  0.840  0.472  0.525  1.0
  O  O21  1  0.632  0.160  0.525  1.0
  O  O22  1  0.528  0.368  0.975  1.0
  O  O23  1  0.471  0.633  0.474  1.0
  O  O24  1  0.633  0.161  0.974  1.0
  O  O25  1  0.839  0.472  0.975  1.0
  O  O26  1  0.160  0.528  0.475  1.0
  O  O27  1  0.368  0.840  0.475  1.0
[/CIF]
.