The material described by Na2Mn2S3 crystallizes in the monoclinic C2/c space group. There are three inequivalent Na sites. In the first Na site, Na(1) is bonded in a distorted rectangular see-saw-like geometry to one S(2) and three equivalent S(1) atoms. In the second Na site, Na(2) is bonded to two equivalent S(1), two equivalent S(2), and two equivalent S(3) atoms to form distorted NaS6 octahedra that share corners with four equivalent Mn(1)S4 tetrahedra, corners with four equivalent Mn(2)S4 tetrahedra, edges with three equivalent Na(3)S6 octahedra, edges with two equivalent Mn(1)S4 tetrahedra, and edges with two equivalent Mn(2)S4 tetrahedra. In the third Na site, Na(3) is bonded to two equivalent S(2) and four equivalent S(3) atoms to form NaS6 octahedra that share corners with two equivalent Mn(2)S4 tetrahedra, corners with four equivalent Mn(1)S4 tetrahedra, edges with two equivalent Na(3)S6 octahedra, edges with three equivalent Na(2)S6 octahedra, edges with two equivalent Mn(1)S4 tetrahedra, and edges with four equivalent Mn(2)S4 tetrahedra. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one S(1), one S(3), and two equivalent S(2) atoms to form distorted MnS4 tetrahedra that share corners with two equivalent Na(2)S6 octahedra, corners with two equivalent Na(3)S6 octahedra, corners with three equivalent Mn(2)S4 tetrahedra,  an edgeedge with one Na(2)S6 octahedra,  an edgeedge with one Na(3)S6 octahedra,  an edgeedge with one Mn(1)S4 tetrahedra, and  an edgeedge with one Mn(2)S4 tetrahedra. The corner-sharing octahedral tilt angles range from 26-55°. In the second Mn site, Mn(2) is bonded to one S(1), one S(2), and two equivalent S(3) atoms to form MnS4 tetrahedra that share  a cornercorner with one Na(3)S6 octahedra, corners with two equivalent Na(2)S6 octahedra, corners with two equivalent Mn(2)S4 tetrahedra, corners with three equivalent Mn(1)S4 tetrahedra,  an edgeedge with one Na(2)S6 octahedra, edges with two equivalent Na(3)S6 octahedra, and  an edgeedge with one Mn(1)S4 tetrahedra. The corner-sharing octahedral tilt angles range from 19-50°. There are three inequivalent S sites. In the first S site, S(1) is bonded to one Na(2), three equivalent Na(1), one Mn(1), and one Mn(2) atom to form a mixture of distorted corner, face, and edge-sharing SNa4Mn2 pentagonal pyramids. In the second S site, S(2) is bonded in a 6-coordinate geometry to one Na(1), one Na(2), one Na(3), one Mn(2), and two equivalent Mn(1) atoms. In the third S site, S(3) is bonded in a 6-coordinate geometry to one Na(2), two equivalent Na(3), one Mn(1), and two equivalent Mn(2) atoms. is represented by the CIF file [CIF]
data_Na2Mn2S3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.976
_cell_length_b   9.976
_cell_length_c   6.919
_cell_angle_alpha   70.237
_cell_angle_beta   70.237
_cell_angle_gamma   83.803
_symmetry_Int_Tables_number   1
_cell_volume   609.898
_cell_formula_units_Z   4
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  0.988  0.815  0.128  1.0
  Na  Na1  1  0.185  0.012  0.372  1.0
  Na  Na2  1  0.012  0.185  0.872  1.0
  Na  Na3  1  0.815  0.988  0.628  1.0
  Na  Na4  1  0.281  0.719  0.250  1.0
  Na  Na5  1  0.719  0.281  0.750  1.0
  Na  Na6  1  0.571  0.429  0.250  1.0
  Na  Na7  1  0.429  0.571  0.750  1.0
  Mn  Mn8  1  0.084  0.556  0.755  1.0
  Mn  Mn9  1  0.916  0.444  0.245  1.0
  Mn  Mn10  1  0.556  0.084  0.255  1.0
  Mn  Mn11  1  0.364  0.217  0.797  1.0
  Mn  Mn12  1  0.783  0.636  0.703  1.0
  Mn  Mn13  1  0.636  0.783  0.203  1.0
  Mn  Mn14  1  0.217  0.364  0.297  1.0
  Mn  Mn15  1  0.444  0.916  0.745  1.0
  S  S16  1  0.228  0.000  0.953  1.0
  S  S17  1  0.000  0.228  0.453  1.0
  S  S18  1  0.772  1.000  0.047  1.0
  S  S19  1  0.581  0.145  0.555  1.0
  S  S20  1  0.855  0.419  0.945  1.0
  S  S21  1  0.419  0.855  0.445  1.0
  S  S22  1  1.000  0.772  0.547  1.0
  S  S23  1  0.145  0.581  0.055  1.0
  S  S24  1  0.432  0.282  0.064  1.0
  S  S25  1  0.718  0.568  0.436  1.0
  S  S26  1  0.568  0.718  0.936  1.0
  S  S27  1  0.282  0.432  0.564  1.0
[/CIF]
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The material described by Na2Mn2S3 crystallizes in the monoclinic C2/c space group. There are three inequivalent Na sites. In the first Na site, Na(1) is bonded in a distorted rectangular see-saw-like geometry to one S(2) and three equivalent S(1) atoms. In the second Na site, Na(2) is bonded to two equivalent S(1), two equivalent S(2), and two equivalent S(3) atoms to form distorted NaS6 octahedra that share corners with four equivalent Mn(1)S4 tetrahedra, corners with four equivalent Mn(2)S4 tetrahedra, edges with three equivalent Na(3)S6 octahedra, edges with two equivalent Mn(1)S4 tetrahedra, and edges with two equivalent Mn(2)S4 tetrahedra. In the third Na site, Na(3) is bonded to two equivalent S(2) and four equivalent S(3) atoms to form NaS6 octahedra that share corners with two equivalent Mn(2)S4 tetrahedra, corners with four equivalent Mn(1)S4 tetrahedra, edges with two equivalent Na(3)S6 octahedra, edges with three equivalent Na(2)S6 octahedra, edges with two equivalent Mn(1)S4 tetrahedra, and edges with four equivalent Mn(2)S4 tetrahedra. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one S(1), one S(3), and two equivalent S(2) atoms to form distorted MnS4 tetrahedra that share corners with two equivalent Na(2)S6 octahedra, corners with two equivalent Na(3)S6 octahedra, corners with three equivalent Mn(2)S4 tetrahedra,  an edgeedge with one Na(2)S6 octahedra,  an edgeedge with one Na(3)S6 octahedra,  an edgeedge with one Mn(1)S4 tetrahedra, and  an edgeedge with one Mn(2)S4 tetrahedra. The corner-sharing octahedral tilt angles range from 26-55°. In the second Mn site, Mn(2) is bonded to one S(1), one S(2), and two equivalent S(3) atoms to form MnS4 tetrahedra that share  a cornercorner with one Na(3)S6 octahedra, corners with two equivalent Na(2)S6 octahedra, corners with two equivalent Mn(2)S4 tetrahedra, corners with three equivalent Mn(1)S4 tetrahedra,  an edgeedge with one Na(2)S6 octahedra, edges with two equivalent Na(3)S6 octahedra, and  an edgeedge with one Mn(1)S4 tetrahedra. The corner-sharing octahedral tilt angles range from 19-50°. There are three inequivalent S sites. In the first S site, S(1) is bonded to one Na(2), three equivalent Na(1), one Mn(1), and one Mn(2) atom to form a mixture of distorted corner, face, and edge-sharing SNa4Mn2 pentagonal pyramids. In the second S site, S(2) is bonded in a 6-coordinate geometry to one Na(1), one Na(2), one Na(3), one Mn(2), and two equivalent Mn(1) atoms. In the third S site, S(3) is bonded in a 6-coordinate geometry to one Na(2), two equivalent Na(3), one Mn(1), and two equivalent Mn(2) atoms. is represented by the CIF file [CIF]
data_Na2Mn2S3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.976
_cell_length_b   9.976
_cell_length_c   6.919
_cell_angle_alpha   70.237
_cell_angle_beta   70.237
_cell_angle_gamma   83.803
_symmetry_Int_Tables_number   1
_cell_volume   609.898
_cell_formula_units_Z   4
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  0.988  0.815  0.128  1.0
  Na  Na1  1  0.185  0.012  0.372  1.0
  Na  Na2  1  0.012  0.185  0.872  1.0
  Na  Na3  1  0.815  0.988  0.628  1.0
  Na  Na4  1  0.281  0.719  0.250  1.0
  Na  Na5  1  0.719  0.281  0.750  1.0
  Na  Na6  1  0.571  0.429  0.250  1.0
  Na  Na7  1  0.429  0.571  0.750  1.0
  Mn  Mn8  1  0.084  0.556  0.755  1.0
  Mn  Mn9  1  0.916  0.444  0.245  1.0
  Mn  Mn10  1  0.556  0.084  0.255  1.0
  Mn  Mn11  1  0.364  0.217  0.797  1.0
  Mn  Mn12  1  0.783  0.636  0.703  1.0
  Mn  Mn13  1  0.636  0.783  0.203  1.0
  Mn  Mn14  1  0.217  0.364  0.297  1.0
  Mn  Mn15  1  0.444  0.916  0.745  1.0
  S  S16  1  0.228  0.000  0.953  1.0
  S  S17  1  0.000  0.228  0.453  1.0
  S  S18  1  0.772  1.000  0.047  1.0
  S  S19  1  0.581  0.145  0.555  1.0
  S  S20  1  0.855  0.419  0.945  1.0
  S  S21  1  0.419  0.855  0.445  1.0
  S  S22  1  1.000  0.772  0.547  1.0
  S  S23  1  0.145  0.581  0.055  1.0
  S  S24  1  0.432  0.282  0.064  1.0
  S  S25  1  0.718  0.568  0.436  1.0
  S  S26  1  0.568  0.718  0.936  1.0
  S  S27  1  0.282  0.432  0.564  1.0
[/CIF]
.