The material described by (Na6MnS3(O4F)3)2MnF2 crystallizes in the triclinic P-1 space group. The structure consists of one manganese(ii) fluoride molecule inside a Na6MnS3(O4F)3 framework. In the Na6MnS3(O4F)3 framework, there are six inequivalent Na sites. In the first Na site, Na(1) is bonded in a 1-coordinate geometry to one O(1), one F(1), one F(2), and one F(3) atom. In the second Na site, Na(2) is bonded in a 4-coordinate geometry to one O(3), one O(6), one O(7), and one F(1) atom. In the third Na site, Na(3) is bonded in a 2-coordinate geometry to one O(1), one O(12), and one O(9) atom. In the fourth Na site, Na(4) is bonded in a 2-coordinate geometry to one O(3), one O(5), one O(8), and one F(3) atom. In the fifth Na site, Na(5) is bonded in a 2-coordinate geometry to one O(4) and one F(2) atom. In the sixth Na site, Na(6) is bonded in a 2-coordinate geometry to one O(1) and one F(2) atom. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 2-coordinate geometry to two equivalent O(10) and two equivalent F(1) atoms. In the second Mn site, Mn(3) is bonded in a 4-coordinate geometry to two equivalent O(2) and two equivalent O(7) atoms. There are three inequivalent S sites. In the first S site, S(1) is bonded in a distorted single-bond geometry to one O(3) and one O(7) atom. In the second S site, S(2) is bonded in a water-like geometry to one O(5) and one O(6) atom. In the third S site, S(3) is bonded in a distorted single-bond geometry to one O(11), one O(12), one O(4), and one F(1) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Na(1), one Na(3), and one Na(6) atom. In the second O site, O(2) is bonded in a 1-coordinate geometry to one Mn(3) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Na(2), one Na(4), and one S(1) atom. In the fourth O site, O(4) is bonded in a distorted water-like geometry to one Na(5) and one S(3) atom. In the fifth O site, O(5) is bonded in a distorted bent 150 degrees geometry to one Na(4) and one S(2) atom. In the sixth O site, O(6) is bonded in a single-bond geometry to one Na(2) and one S(2) atom. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to one Na(2), one Mn(3), and one S(1) atom. In the eighth O site, O(8) is bonded in a single-bond geometry to one Na(4) atom. In the ninth O site, O(9) is bonded in a single-bond geometry to one Na(3) atom. In the tenth O site, O(10) is bonded in a distorted L-shaped geometry to one Mn(1) and one F(3) atom. In the eleventh O site, O(11) is bonded in a distorted single-bond geometry to one S(3) atom. In the twelfth O site, O(12) is bonded in a distorted single-bond geometry to one Na(3) and one S(3) atom. There are three inequivalent F sites. In the first F site, F(1) is bonded in a 4-coordinate geometry to one Na(1), one Na(2), one Mn(1), and one S(3) atom. In the second F site, F(2) is bonded in a 3-coordinate geometry to one Na(1), one Na(5), and one Na(6) atom. In the third F site, F(3) is bonded in a 3-coordinate geometry to one Na(1), one Na(4), and one O(10) atom. is represented by the CIF file [CIF]
data_Na12Mn3S6(O3F)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.676
_cell_length_b   9.708
_cell_length_c   9.797
_cell_angle_alpha   113.801
_cell_angle_beta   105.206
_cell_angle_gamma   109.007
_symmetry_Int_Tables_number   1
_cell_volume   708.795
_cell_formula_units_Z   1
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
  Na  Na0  1  0.492  0.846  0.204  1.0
  Na  Na1  1  0.508  0.154  0.796  1.0
  Na  Na2  1  0.714  0.704  0.441  1.0
  Na  Na3  1  0.286  0.296  0.559  1.0
  Na  Na4  1  0.127  0.694  0.985  1.0
  Na  Na5  1  0.873  0.306  0.015  1.0
  Na  Na6  1  0.446  0.211  0.215  1.0
  Na  Na7  1  0.554  0.789  0.785  1.0
  Na  Na8  1  0.038  0.866  0.634  1.0
  Na  Na9  1  0.962  0.134  0.366  1.0
  Na  Na10  1  0.699  0.634  0.083  1.0
  Na  Na11  1  0.301  0.366  0.917  1.0
  Mn  Mn12  1  0.500  0.000  0.500  1.0
  Mn  Mn13  1  0.000  0.000  0.000  1.0
  Mn  Mn14  1  0.000  0.500  0.500  1.0
  S  S15  1  0.733  0.405  0.357  1.0
  S  S16  1  0.267  0.595  0.643  1.0
  S  S17  1  0.719  0.518  0.816  1.0
  S  S18  1  0.281  0.482  0.184  1.0
  S  S19  1  0.167  0.899  0.228  1.0
  S  S20  1  0.833  0.101  0.772  1.0
  O  O21  1  0.702  0.417  0.973  1.0
  O  O22  1  0.298  0.583  0.027  1.0
  O  O23  1  0.899  0.587  0.670  1.0
  O  O24  1  0.101  0.413  0.330  1.0
  O  O25  1  0.590  0.432  0.358  1.0
  O  O26  1  0.410  0.568  0.642  1.0
  O  O27  1  0.057  0.928  0.362  1.0
  O  O28  1  0.943  0.072  0.638  1.0
  O  O29  1  0.705  0.664  0.828  1.0
  O  O30  1  0.295  0.336  0.172  1.0
  O  O31  1  0.588  0.422  0.789  1.0
  O  O32  1  0.412  0.578  0.211  1.0
  O  O33  1  0.813  0.509  0.421  1.0
  O  O34  1  0.187  0.491  0.579  1.0
  O  O35  1  0.343  0.044  0.108  1.0
  O  O36  1  0.657  0.956  0.892  1.0
  O  O37  1  0.863  0.447  0.185  1.0
  O  O38  1  0.137  0.553  0.815  1.0
  O  O39  1  0.663  0.230  0.474  1.0
  O  O40  1  0.337  0.770  0.526  1.0
  O  O41  1  0.187  0.757  0.301  1.0
  O  O42  1  0.813  0.243  0.699  1.0
  O  O43  1  0.081  0.861  0.134  1.0
  O  O44  1  0.919  0.139  0.866  1.0
  F  F45  1  0.329  0.066  0.505  1.0
  F  F46  1  0.671  0.934  0.495  1.0
  F  F47  1  0.763  0.843  0.175  1.0
  F  F48  1  0.237  0.157  0.825  1.0
  F  F49  1  0.599  0.078  0.265  1.0
  F  F50  1  0.401  0.922  0.735  1.0
  F  F51  1  0.993  0.853  0.903  1.0
  F  F52  1  0.007  0.147  0.097  1.0
[/CIF]
.
The material described by (Na6MnS3(O4F)3)2MnF2 crystallizes in the triclinic P-1 space group. The structure consists of one manganese(ii) fluoride molecule inside a Na6MnS3(O4F)3 framework. In the Na6MnS3(O4F)3 framework, there are six inequivalent Na sites. In the first Na site, Na(1) is bonded in a 1-coordinate geometry to one O(1), one F(1), one F(2), and one F(3) atom. In the second Na site, Na(2) is bonded in a 4-coordinate geometry to one O(3), one O(6), one O(7), and one F(1) atom. In the third Na site, Na(3) is bonded in a 2-coordinate geometry to one O(1), one O(12), and one O(9) atom. In the fourth Na site, Na(4) is bonded in a 2-coordinate geometry to one O(3), one O(5), one O(8), and one F(3) atom. In the fifth Na site, Na(5) is bonded in a 2-coordinate geometry to one O(4) and one F(2) atom. In the sixth Na site, Na(6) is bonded in a 2-coordinate geometry to one O(1) and one F(2) atom. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 2-coordinate geometry to two equivalent O(10) and two equivalent F(1) atoms. In the second Mn site, Mn(3) is bonded in a 4-coordinate geometry to two equivalent O(2) and two equivalent O(7) atoms. There are three inequivalent S sites. In the first S site, S(1) is bonded in a distorted single-bond geometry to one O(3) and one O(7) atom. In the second S site, S(2) is bonded in a water-like geometry to one O(5) and one O(6) atom. In the third S site, S(3) is bonded in a distorted single-bond geometry to one O(11), one O(12), one O(4), and one F(1) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Na(1), one Na(3), and one Na(6) atom. In the second O site, O(2) is bonded in a 1-coordinate geometry to one Mn(3) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Na(2), one Na(4), and one S(1) atom. In the fourth O site, O(4) is bonded in a distorted water-like geometry to one Na(5) and one S(3) atom. In the fifth O site, O(5) is bonded in a distorted bent 150 degrees geometry to one Na(4) and one S(2) atom. In the sixth O site, O(6) is bonded in a single-bond geometry to one Na(2) and one S(2) atom. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to one Na(2), one Mn(3), and one S(1) atom. In the eighth O site, O(8) is bonded in a single-bond geometry to one Na(4) atom. In the ninth O site, O(9) is bonded in a single-bond geometry to one Na(3) atom. In the tenth O site, O(10) is bonded in a distorted L-shaped geometry to one Mn(1) and one F(3) atom. In the eleventh O site, O(11) is bonded in a distorted single-bond geometry to one S(3) atom. In the twelfth O site, O(12) is bonded in a distorted single-bond geometry to one Na(3) and one S(3) atom. There are three inequivalent F sites. In the first F site, F(1) is bonded in a 4-coordinate geometry to one Na(1), one Na(2), one Mn(1), and one S(3) atom. In the second F site, F(2) is bonded in a 3-coordinate geometry to one Na(1), one Na(5), and one Na(6) atom. In the third F site, F(3) is bonded in a 3-coordinate geometry to one Na(1), one Na(4), and one O(10) atom. is represented by the CIF file [CIF]
data_Na12Mn3S6(O3F)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.676
_cell_length_b   9.708
_cell_length_c   9.797
_cell_angle_alpha   113.801
_cell_angle_beta   105.206
_cell_angle_gamma   109.007
_symmetry_Int_Tables_number   1
_cell_volume   708.795
_cell_formula_units_Z   1
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
  Na  Na0  1  0.492  0.846  0.204  1.0
  Na  Na1  1  0.508  0.154  0.796  1.0
  Na  Na2  1  0.714  0.704  0.441  1.0
  Na  Na3  1  0.286  0.296  0.559  1.0
  Na  Na4  1  0.127  0.694  0.985  1.0
  Na  Na5  1  0.873  0.306  0.015  1.0
  Na  Na6  1  0.446  0.211  0.215  1.0
  Na  Na7  1  0.554  0.789  0.785  1.0
  Na  Na8  1  0.038  0.866  0.634  1.0
  Na  Na9  1  0.962  0.134  0.366  1.0
  Na  Na10  1  0.699  0.634  0.083  1.0
  Na  Na11  1  0.301  0.366  0.917  1.0
  Mn  Mn12  1  0.500  0.000  0.500  1.0
  Mn  Mn13  1  0.000  0.000  0.000  1.0
  Mn  Mn14  1  0.000  0.500  0.500  1.0
  S  S15  1  0.733  0.405  0.357  1.0
  S  S16  1  0.267  0.595  0.643  1.0
  S  S17  1  0.719  0.518  0.816  1.0
  S  S18  1  0.281  0.482  0.184  1.0
  S  S19  1  0.167  0.899  0.228  1.0
  S  S20  1  0.833  0.101  0.772  1.0
  O  O21  1  0.702  0.417  0.973  1.0
  O  O22  1  0.298  0.583  0.027  1.0
  O  O23  1  0.899  0.587  0.670  1.0
  O  O24  1  0.101  0.413  0.330  1.0
  O  O25  1  0.590  0.432  0.358  1.0
  O  O26  1  0.410  0.568  0.642  1.0
  O  O27  1  0.057  0.928  0.362  1.0
  O  O28  1  0.943  0.072  0.638  1.0
  O  O29  1  0.705  0.664  0.828  1.0
  O  O30  1  0.295  0.336  0.172  1.0
  O  O31  1  0.588  0.422  0.789  1.0
  O  O32  1  0.412  0.578  0.211  1.0
  O  O33  1  0.813  0.509  0.421  1.0
  O  O34  1  0.187  0.491  0.579  1.0
  O  O35  1  0.343  0.044  0.108  1.0
  O  O36  1  0.657  0.956  0.892  1.0
  O  O37  1  0.863  0.447  0.185  1.0
  O  O38  1  0.137  0.553  0.815  1.0
  O  O39  1  0.663  0.230  0.474  1.0
  O  O40  1  0.337  0.770  0.526  1.0
  O  O41  1  0.187  0.757  0.301  1.0
  O  O42  1  0.813  0.243  0.699  1.0
  O  O43  1  0.081  0.861  0.134  1.0
  O  O44  1  0.919  0.139  0.866  1.0
  F  F45  1  0.329  0.066  0.505  1.0
  F  F46  1  0.671  0.934  0.495  1.0
  F  F47  1  0.763  0.843  0.175  1.0
  F  F48  1  0.237  0.157  0.825  1.0
  F  F49  1  0.599  0.078  0.265  1.0
  F  F50  1  0.401  0.922  0.735  1.0
  F  F51  1  0.993  0.853  0.903  1.0
  F  F52  1  0.007  0.147  0.097  1.0
[/CIF]
.