The material described by Ag2MnSn3S8 crystallizes in the triclinic P-1 space group. Mn(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent S(1) and two equivalent S(3) atoms. There are two inequivalent Ag sites. In the first Ag site, Ag(1) is bonded in a square co-planar geometry to two equivalent S(1) and two equivalent S(4) atoms. In the second Ag site, Ag(2) is bonded in a square co-planar geometry to two equivalent S(2) and two equivalent S(3) atoms. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 6-coordinate geometry to one S(1), one S(3), two equivalent S(2), and two equivalent S(4) atoms. In the second Sn site, Sn(2) is bonded in a square co-planar geometry to two equivalent S(2) and two equivalent S(4) atoms. There are four inequivalent S sites. In the first S site, S(1) is bonded in a distorted rectangular see-saw-like geometry to one Mn(1), one Ag(1), one Sn(1), and one S(3) atom. In the second S site, S(2) is bonded to one Ag(2), one Sn(2), and two equivalent Sn(1) atoms to form a mixture of corner and edge-sharing SAgSn3 trigonal pyramids. In the third S site, S(3) is bonded in a distorted rectangular see-saw-like geometry to one Mn(1), one Ag(2), one Sn(1), and one S(1) atom. In the fourth S site, S(4) is bonded to one Ag(1), one Sn(2), and two equivalent Sn(1) atoms to form a mixture of corner and edge-sharing SAgSn3 trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_MnAg2Sn3S8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.485
_cell_length_b   9.415
_cell_length_c   9.379
_cell_angle_alpha   47.867
_cell_angle_beta   52.194
_cell_angle_gamma   78.234
_symmetry_Int_Tables_number   1
_cell_volume   362.247
_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
  Mn  Mn0  1  0.500  0.000  0.500  1.0
  Ag  Ag1  1  0.000  0.000  0.500  1.0
  Ag  Ag2  1  0.000  0.500  0.000  1.0
  Sn  Sn3  1  0.568  0.318  0.750  1.0
  Sn  Sn4  1  0.432  0.682  0.250  1.0
  Sn  Sn5  1  0.000  0.000  0.000  1.0
  S  S6  1  0.452  0.192  0.211  1.0
  S  S7  1  0.821  0.596  0.243  1.0
  S  S8  1  0.546  0.334  0.269  1.0
  S  S9  1  0.184  0.941  0.219  1.0
  S  S10  1  0.548  0.808  0.789  1.0
  S  S11  1  0.179  0.404  0.757  1.0
  S  S12  1  0.454  0.666  0.731  1.0
  S  S13  1  0.816  0.059  0.781  1.0
[/CIF]
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The material described by Ag2MnSn3S8 crystallizes in the triclinic P-1 space group. Mn(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent S(1) and two equivalent S(3) atoms. There are two inequivalent Ag sites. In the first Ag site, Ag(1) is bonded in a square co-planar geometry to two equivalent S(1) and two equivalent S(4) atoms. In the second Ag site, Ag(2) is bonded in a square co-planar geometry to two equivalent S(2) and two equivalent S(3) atoms. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 6-coordinate geometry to one S(1), one S(3), two equivalent S(2), and two equivalent S(4) atoms. In the second Sn site, Sn(2) is bonded in a square co-planar geometry to two equivalent S(2) and two equivalent S(4) atoms. There are four inequivalent S sites. In the first S site, S(1) is bonded in a distorted rectangular see-saw-like geometry to one Mn(1), one Ag(1), one Sn(1), and one S(3) atom. In the second S site, S(2) is bonded to one Ag(2), one Sn(2), and two equivalent Sn(1) atoms to form a mixture of corner and edge-sharing SAgSn3 trigonal pyramids. In the third S site, S(3) is bonded in a distorted rectangular see-saw-like geometry to one Mn(1), one Ag(2), one Sn(1), and one S(1) atom. In the fourth S site, S(4) is bonded to one Ag(1), one Sn(2), and two equivalent Sn(1) atoms to form a mixture of corner and edge-sharing SAgSn3 trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_MnAg2Sn3S8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.485
_cell_length_b   9.415
_cell_length_c   9.379
_cell_angle_alpha   47.867
_cell_angle_beta   52.194
_cell_angle_gamma   78.234
_symmetry_Int_Tables_number   1
_cell_volume   362.247
_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
  Mn  Mn0  1  0.500  0.000  0.500  1.0
  Ag  Ag1  1  0.000  0.000  0.500  1.0
  Ag  Ag2  1  0.000  0.500  0.000  1.0
  Sn  Sn3  1  0.568  0.318  0.750  1.0
  Sn  Sn4  1  0.432  0.682  0.250  1.0
  Sn  Sn5  1  0.000  0.000  0.000  1.0
  S  S6  1  0.452  0.192  0.211  1.0
  S  S7  1  0.821  0.596  0.243  1.0
  S  S8  1  0.546  0.334  0.269  1.0
  S  S9  1  0.184  0.941  0.219  1.0
  S  S10  1  0.548  0.808  0.789  1.0
  S  S11  1  0.179  0.404  0.757  1.0
  S  S12  1  0.454  0.666  0.731  1.0
  S  S13  1  0.816  0.059  0.781  1.0
[/CIF]
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