The structure described by MnSb2S4 crystallizes in the orthorhombic Pnma space group. Mn(1) is bonded to one S(1), one S(4), two equivalent S(2), and two equivalent S(3) atoms to form MnS6 octahedra that share corners with two equivalent Sb(1)S5 square pyramids, edges with two equivalent Mn(1)S6 octahedra, and edges with three equivalent Sb(1)S5 square pyramids. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to two equivalent S(1) and three equivalent S(2) atoms to form SbS5 square pyramids that share corners with two equivalent Mn(1)S6 octahedra, edges with three equivalent Mn(1)S6 octahedra, and edges with four equivalent Sb(1)S5 square pyramids. The corner-sharing octahedral tilt angles are 13°. In the second Sb site, Sb(2) is bonded in a 3-coordinate geometry to one S(3) and two equivalent S(4) atoms. There are four inequivalent S sites. In the first S site, S(1) is bonded in a 3-coordinate geometry to one Mn(1) and two equivalent Sb(1) atoms. In the second S site, S(2) is bonded to two equivalent Mn(1) and three equivalent Sb(1) atoms to form edge-sharing SMn2Sb3 square pyramids. In the third S site, S(3) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Mn(1) and one Sb(2) atom. In the fourth S site, S(4) is bonded in a distorted trigonal planar geometry to one Mn(1) and two equivalent Sb(2) atoms. is represented by the CIF file [CIF]
data_Mn(SbS2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.837
_cell_length_b   11.507
_cell_length_c   14.693
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   648.816
_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
  Mn  Mn0  1  0.750  0.182  0.834  1.0
  Mn  Mn1  1  0.250  0.318  0.334  1.0
  Mn  Mn2  1  0.750  0.682  0.666  1.0
  Mn  Mn3  1  0.250  0.818  0.166  1.0
  Sb  Sb4  1  0.750  0.358  0.556  1.0
  Sb  Sb5  1  0.250  0.642  0.444  1.0
  Sb  Sb6  1  0.750  0.858  0.944  1.0
  Sb  Sb7  1  0.250  0.142  0.056  1.0
  Sb  Sb8  1  0.750  0.543  0.116  1.0
  Sb  Sb9  1  0.250  0.457  0.884  1.0
  Sb  Sb10  1  0.750  0.043  0.384  1.0
  Sb  Sb11  1  0.250  0.957  0.616  1.0
  S  S12  1  0.750  0.775  0.512  1.0
  S  S13  1  0.250  0.543  0.597  1.0
  S  S14  1  0.750  0.457  0.403  1.0
  S  S15  1  0.250  0.043  0.903  1.0
  S  S16  1  0.750  0.699  0.230  1.0
  S  S17  1  0.250  0.301  0.770  1.0
  S  S18  1  0.750  0.199  0.270  1.0
  S  S19  1  0.250  0.801  0.730  1.0
  S  S20  1  0.750  0.076  0.683  1.0
  S  S21  1  0.250  0.924  0.317  1.0
  S  S22  1  0.750  0.576  0.817  1.0
  S  S23  1  0.250  0.424  0.183  1.0
  S  S24  1  0.750  0.275  0.988  1.0
  S  S25  1  0.250  0.725  0.012  1.0
  S  S26  1  0.250  0.225  0.488  1.0
  S  S27  1  0.750  0.957  0.097  1.0
[/CIF]
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The structure described by MnSb2S4 crystallizes in the orthorhombic Pnma space group. Mn(1) is bonded to one S(1), one S(4), two equivalent S(2), and two equivalent S(3) atoms to form MnS6 octahedra that share corners with two equivalent Sb(1)S5 square pyramids, edges with two equivalent Mn(1)S6 octahedra, and edges with three equivalent Sb(1)S5 square pyramids. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to two equivalent S(1) and three equivalent S(2) atoms to form SbS5 square pyramids that share corners with two equivalent Mn(1)S6 octahedra, edges with three equivalent Mn(1)S6 octahedra, and edges with four equivalent Sb(1)S5 square pyramids. The corner-sharing octahedral tilt angles are 13°. In the second Sb site, Sb(2) is bonded in a 3-coordinate geometry to one S(3) and two equivalent S(4) atoms. There are four inequivalent S sites. In the first S site, S(1) is bonded in a 3-coordinate geometry to one Mn(1) and two equivalent Sb(1) atoms. In the second S site, S(2) is bonded to two equivalent Mn(1) and three equivalent Sb(1) atoms to form edge-sharing SMn2Sb3 square pyramids. In the third S site, S(3) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Mn(1) and one Sb(2) atom. In the fourth S site, S(4) is bonded in a distorted trigonal planar geometry to one Mn(1) and two equivalent Sb(2) atoms. is represented by the CIF file [CIF]
data_Mn(SbS2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.837
_cell_length_b   11.507
_cell_length_c   14.693
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   648.816
_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
  Mn  Mn0  1  0.750  0.182  0.834  1.0
  Mn  Mn1  1  0.250  0.318  0.334  1.0
  Mn  Mn2  1  0.750  0.682  0.666  1.0
  Mn  Mn3  1  0.250  0.818  0.166  1.0
  Sb  Sb4  1  0.750  0.358  0.556  1.0
  Sb  Sb5  1  0.250  0.642  0.444  1.0
  Sb  Sb6  1  0.750  0.858  0.944  1.0
  Sb  Sb7  1  0.250  0.142  0.056  1.0
  Sb  Sb8  1  0.750  0.543  0.116  1.0
  Sb  Sb9  1  0.250  0.457  0.884  1.0
  Sb  Sb10  1  0.750  0.043  0.384  1.0
  Sb  Sb11  1  0.250  0.957  0.616  1.0
  S  S12  1  0.750  0.775  0.512  1.0
  S  S13  1  0.250  0.543  0.597  1.0
  S  S14  1  0.750  0.457  0.403  1.0
  S  S15  1  0.250  0.043  0.903  1.0
  S  S16  1  0.750  0.699  0.230  1.0
  S  S17  1  0.250  0.301  0.770  1.0
  S  S18  1  0.750  0.199  0.270  1.0
  S  S19  1  0.250  0.801  0.730  1.0
  S  S20  1  0.750  0.076  0.683  1.0
  S  S21  1  0.250  0.924  0.317  1.0
  S  S22  1  0.750  0.576  0.817  1.0
  S  S23  1  0.250  0.424  0.183  1.0
  S  S24  1  0.750  0.275  0.988  1.0
  S  S25  1  0.250  0.725  0.012  1.0
  S  S26  1  0.250  0.225  0.488  1.0
  S  S27  1  0.750  0.957  0.097  1.0
[/CIF]
.