The material described by MnAg4(SbS3)2 crystallizes in the monoclinic P2_1/c space group. Mn(1) is bonded to two equivalent S(1), two equivalent S(2), and two equivalent S(3) atoms to form MnS6 octahedra that share corners with four equivalent Ag(2)S4 trigonal pyramids and edges with two equivalent Ag(2)S4 trigonal pyramids. There are two inequivalent Ag sites. In the first Ag site, Ag(1) is bonded in a distorted linear geometry to one S(2) and one S(3) atom. In the second Ag site, Ag(2) is bonded to one S(2), one S(3), and two equivalent S(1) atoms to form distorted AgS4 trigonal pyramids that share corners with two equivalent Mn(1)S6 octahedra, corners with two equivalent Ag(2)S4 trigonal pyramids, and  an edgeedge with one Mn(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 40-74°. Sb(1) is bonded in a 3-coordinate geometry to one S(1), one S(2), and one S(3) atom. There are three inequivalent S sites. In the first S site, S(1) is bonded to one Mn(1), two equivalent Ag(2), and one Sb(1) atom to form distorted corner-sharing SMnAg2Sb tetrahedra. In the second S site, S(2) is bonded in a rectangular see-saw-like geometry to one Mn(1), one Ag(1), one Ag(2), and one Sb(1) atom. In the third S site, S(3) is bonded to one Mn(1), one Ag(1), one Ag(2), and one Sb(1) atom to form corner-sharing SMnAg2Sb tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_MnAg4(SbS3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.011
_cell_length_b   6.733
_cell_length_c   12.469
_cell_angle_alpha   58.922
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   576.032
_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
  Mn  Mn0  1  0.500  0.500  0.500  1.0
  Mn  Mn1  1  0.000  0.500  0.000  1.0
  Ag  Ag2  1  0.968  0.766  0.472  1.0
  Ag  Ag3  1  0.532  0.766  0.972  1.0
  Ag  Ag4  1  0.032  0.234  0.528  1.0
  Ag  Ag5  1  0.704  0.252  0.817  1.0
  Ag  Ag6  1  0.204  0.748  0.683  1.0
  Ag  Ag7  1  0.296  0.748  0.183  1.0
  Ag  Ag8  1  0.796  0.252  0.317  1.0
  Ag  Ag9  1  0.468  0.234  0.028  1.0
  Sb  Sb10  1  0.150  0.162  0.811  1.0
  Sb  Sb11  1  0.350  0.162  0.311  1.0
  Sb  Sb12  1  0.850  0.838  0.189  1.0
  Sb  Sb13  1  0.650  0.838  0.689  1.0
  S  S14  1  0.907  0.597  0.781  1.0
  S  S15  1  0.742  0.238  0.106  1.0
  S  S16  1  0.407  0.403  0.719  1.0
  S  S17  1  0.093  0.403  0.219  1.0
  S  S18  1  0.593  0.597  0.281  1.0
  S  S19  1  0.175  0.157  0.014  1.0
  S  S20  1  0.675  0.843  0.486  1.0
  S  S21  1  0.825  0.843  0.986  1.0
  S  S22  1  0.325  0.157  0.514  1.0
  S  S23  1  0.758  0.238  0.606  1.0
  S  S24  1  0.258  0.762  0.894  1.0
  S  S25  1  0.242  0.762  0.394  1.0
[/CIF]
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The material described by MnAg4(SbS3)2 crystallizes in the monoclinic P2_1/c space group. Mn(1) is bonded to two equivalent S(1), two equivalent S(2), and two equivalent S(3) atoms to form MnS6 octahedra that share corners with four equivalent Ag(2)S4 trigonal pyramids and edges with two equivalent Ag(2)S4 trigonal pyramids. There are two inequivalent Ag sites. In the first Ag site, Ag(1) is bonded in a distorted linear geometry to one S(2) and one S(3) atom. In the second Ag site, Ag(2) is bonded to one S(2), one S(3), and two equivalent S(1) atoms to form distorted AgS4 trigonal pyramids that share corners with two equivalent Mn(1)S6 octahedra, corners with two equivalent Ag(2)S4 trigonal pyramids, and  an edgeedge with one Mn(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 40-74°. Sb(1) is bonded in a 3-coordinate geometry to one S(1), one S(2), and one S(3) atom. There are three inequivalent S sites. In the first S site, S(1) is bonded to one Mn(1), two equivalent Ag(2), and one Sb(1) atom to form distorted corner-sharing SMnAg2Sb tetrahedra. In the second S site, S(2) is bonded in a rectangular see-saw-like geometry to one Mn(1), one Ag(1), one Ag(2), and one Sb(1) atom. In the third S site, S(3) is bonded to one Mn(1), one Ag(1), one Ag(2), and one Sb(1) atom to form corner-sharing SMnAg2Sb tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_MnAg4(SbS3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.011
_cell_length_b   6.733
_cell_length_c   12.469
_cell_angle_alpha   58.922
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   576.032
_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
  Mn  Mn0  1  0.500  0.500  0.500  1.0
  Mn  Mn1  1  0.000  0.500  0.000  1.0
  Ag  Ag2  1  0.968  0.766  0.472  1.0
  Ag  Ag3  1  0.532  0.766  0.972  1.0
  Ag  Ag4  1  0.032  0.234  0.528  1.0
  Ag  Ag5  1  0.704  0.252  0.817  1.0
  Ag  Ag6  1  0.204  0.748  0.683  1.0
  Ag  Ag7  1  0.296  0.748  0.183  1.0
  Ag  Ag8  1  0.796  0.252  0.317  1.0
  Ag  Ag9  1  0.468  0.234  0.028  1.0
  Sb  Sb10  1  0.150  0.162  0.811  1.0
  Sb  Sb11  1  0.350  0.162  0.311  1.0
  Sb  Sb12  1  0.850  0.838  0.189  1.0
  Sb  Sb13  1  0.650  0.838  0.689  1.0
  S  S14  1  0.907  0.597  0.781  1.0
  S  S15  1  0.742  0.238  0.106  1.0
  S  S16  1  0.407  0.403  0.719  1.0
  S  S17  1  0.093  0.403  0.219  1.0
  S  S18  1  0.593  0.597  0.281  1.0
  S  S19  1  0.175  0.157  0.014  1.0
  S  S20  1  0.675  0.843  0.486  1.0
  S  S21  1  0.825  0.843  0.986  1.0
  S  S22  1  0.325  0.157  0.514  1.0
  S  S23  1  0.758  0.238  0.606  1.0
  S  S24  1  0.258  0.762  0.894  1.0
  S  S25  1  0.242  0.762  0.394  1.0
[/CIF]
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