The structure described by MgFeAgS2 crystallizes in the monoclinic Cm space group. Mg(1) is bonded in a distorted rectangular see-saw-like geometry to one Ag(1) and three equivalent S(2) atoms. Fe(1) is bonded to three equivalent S(1) and three equivalent S(2) atoms to form edge-sharing FeS6 octahedra. Ag(1) is bonded in a linear geometry to one Mg(1) and one S(1) atom. There are two inequivalent S sites. In the first S site, S(1) is bonded to three equivalent Fe(1) and one Ag(1) atom to form distorted SFe3Ag tetrahedra that share corners with three equivalent S(2)Mg3Fe3 pentagonal pyramids, corners with six equivalent S(1)Fe3Ag tetrahedra, and edges with three equivalent S(2)Mg3Fe3 pentagonal pyramids. In the second S site, S(2) is bonded to three equivalent Mg(1) and three equivalent Fe(1) atoms to form distorted SMg3Fe3 pentagonal pyramids that share corners with three equivalent S(1)Fe3Ag tetrahedra, edges with six equivalent S(2)Mg3Fe3 pentagonal pyramids, and edges with three equivalent S(1)Fe3Ag tetrahedra. is represented by the CIF card [CIF]
data_MgFeAgS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.343
_cell_length_b   3.343
_cell_length_c   9.508
_cell_angle_alpha   79.704
_cell_angle_beta   79.704
_cell_angle_gamma   59.823
_symmetry_Int_Tables_number   1
_cell_volume   89.876
_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
  Mg  Mg0  1  0.910  0.910  0.272  1.0
  Fe  Fe1  1  0.018  0.018  0.948  1.0
  Ag  Ag2  1  0.817  0.817  0.556  1.0
  S  S3  1  0.726  0.726  0.829  1.0
  S  S4  1  0.299  0.299  0.103  1.0
[/CIF]
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The structure described by MgFeAgS2 crystallizes in the monoclinic Cm space group. Mg(1) is bonded in a distorted rectangular see-saw-like geometry to one Ag(1) and three equivalent S(2) atoms. Fe(1) is bonded to three equivalent S(1) and three equivalent S(2) atoms to form edge-sharing FeS6 octahedra. Ag(1) is bonded in a linear geometry to one Mg(1) and one S(1) atom. There are two inequivalent S sites. In the first S site, S(1) is bonded to three equivalent Fe(1) and one Ag(1) atom to form distorted SFe3Ag tetrahedra that share corners with three equivalent S(2)Mg3Fe3 pentagonal pyramids, corners with six equivalent S(1)Fe3Ag tetrahedra, and edges with three equivalent S(2)Mg3Fe3 pentagonal pyramids. In the second S site, S(2) is bonded to three equivalent Mg(1) and three equivalent Fe(1) atoms to form distorted SMg3Fe3 pentagonal pyramids that share corners with three equivalent S(1)Fe3Ag tetrahedra, edges with six equivalent S(2)Mg3Fe3 pentagonal pyramids, and edges with three equivalent S(1)Fe3Ag tetrahedra. is represented by the CIF card [CIF]
data_MgFeAgS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.343
_cell_length_b   3.343
_cell_length_c   9.508
_cell_angle_alpha   79.704
_cell_angle_beta   79.704
_cell_angle_gamma   59.823
_symmetry_Int_Tables_number   1
_cell_volume   89.876
_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
  Mg  Mg0  1  0.910  0.910  0.272  1.0
  Fe  Fe1  1  0.018  0.018  0.948  1.0
  Ag  Ag2  1  0.817  0.817  0.556  1.0
  S  S3  1  0.726  0.726  0.829  1.0
  S  S4  1  0.299  0.299  0.103  1.0
[/CIF]
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