The material structure described by Mn4CdS5 is Caswellsilverite-like structured and crystallizes in the tetragonal I4/m space group. Mn(1) is bonded to one S(2) and five equivalent S(1) atoms to form MnS6 octahedra that share  a cornercorner with one Cd(1)S6 octahedra, corners with five equivalent Mn(1)S6 octahedra, edges with three equivalent Cd(1)S6 octahedra, and edges with nine equivalent Mn(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. Cd(1) is bonded to two equivalent S(2) and four S(1,1) atoms to form CdS6 octahedra that share corners with two equivalent Cd(1)S6 octahedra, corners with four equivalent Mn(1)S6 octahedra, and edges with twelve equivalent Mn(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. There are three inequivalent S sites. In the first S site, S(1) is bonded to five equivalent Mn(1) and one Cd(1) atom to form SMn5Cd octahedra that share  a cornercorner with one S(2)Mn4Cd2 octahedra; corners with five equivalent S(1)Mn5Cd octahedra; edges with three equivalent S(2)Mn4Cd2 octahedra; and edges with nine S(1,1)Mn5Cd octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the second S site, S(1) is bonded to five equivalent Mn(1) and one Cd(1) atom to form SMn5Cd octahedra that share  a cornercorner with one S(2)Mn4Cd2 octahedra; corners with five S(1,1)Mn5Cd octahedra; edges with three equivalent S(2)Mn4Cd2 octahedra; and edges with nine S(1,1)Mn5Cd octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the third S site, S(2) is bonded to four equivalent Mn(1) and two equivalent Cd(1) atoms to form SMn4Cd2 octahedra that share corners with two equivalent S(2)Mn4Cd2 octahedra; corners with four equivalent S(1)Mn5Cd octahedra; and edges with twelve S(1,1)Mn5Cd octahedra. The corner-sharing octahedral tilt angles range from 0-3°. is represented by the CIF file [CIF]
data_Mn4CdS5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.472
_cell_length_b   6.472
_cell_length_c   6.472
_cell_angle_alpha   99.594
_cell_angle_beta   99.594
_cell_angle_gamma   131.810
_symmetry_Int_Tables_number   1
_cell_volume   184.464
_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  0.398  0.800  0.198  1.0
  Mn  Mn1  1  0.800  0.602  0.403  1.0
  Mn  Mn2  1  0.200  0.398  0.597  1.0
  Mn  Mn3  1  0.602  0.200  0.802  1.0
  Cd  Cd4  1  0.000  0.000  0.000  1.0
  S  S5  1  0.309  0.105  0.414  1.0
  S  S6  1  0.105  0.691  0.795  1.0
  S  S7  1  0.500  0.500  0.000  1.0
  S  S8  1  0.691  0.895  0.586  1.0
  S  S9  1  0.895  0.309  0.205  1.0
[/CIF]
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The material structure described by Mn4CdS5 is Caswellsilverite-like structured and crystallizes in the tetragonal I4/m space group. Mn(1) is bonded to one S(2) and five equivalent S(1) atoms to form MnS6 octahedra that share  a cornercorner with one Cd(1)S6 octahedra, corners with five equivalent Mn(1)S6 octahedra, edges with three equivalent Cd(1)S6 octahedra, and edges with nine equivalent Mn(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. Cd(1) is bonded to two equivalent S(2) and four S(1,1) atoms to form CdS6 octahedra that share corners with two equivalent Cd(1)S6 octahedra, corners with four equivalent Mn(1)S6 octahedra, and edges with twelve equivalent Mn(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. There are three inequivalent S sites. In the first S site, S(1) is bonded to five equivalent Mn(1) and one Cd(1) atom to form SMn5Cd octahedra that share  a cornercorner with one S(2)Mn4Cd2 octahedra; corners with five equivalent S(1)Mn5Cd octahedra; edges with three equivalent S(2)Mn4Cd2 octahedra; and edges with nine S(1,1)Mn5Cd octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the second S site, S(1) is bonded to five equivalent Mn(1) and one Cd(1) atom to form SMn5Cd octahedra that share  a cornercorner with one S(2)Mn4Cd2 octahedra; corners with five S(1,1)Mn5Cd octahedra; edges with three equivalent S(2)Mn4Cd2 octahedra; and edges with nine S(1,1)Mn5Cd octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the third S site, S(2) is bonded to four equivalent Mn(1) and two equivalent Cd(1) atoms to form SMn4Cd2 octahedra that share corners with two equivalent S(2)Mn4Cd2 octahedra; corners with four equivalent S(1)Mn5Cd octahedra; and edges with twelve S(1,1)Mn5Cd octahedra. The corner-sharing octahedral tilt angles range from 0-3°. is represented by the CIF file [CIF]
data_Mn4CdS5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.472
_cell_length_b   6.472
_cell_length_c   6.472
_cell_angle_alpha   99.594
_cell_angle_beta   99.594
_cell_angle_gamma   131.810
_symmetry_Int_Tables_number   1
_cell_volume   184.464
_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  0.398  0.800  0.198  1.0
  Mn  Mn1  1  0.800  0.602  0.403  1.0
  Mn  Mn2  1  0.200  0.398  0.597  1.0
  Mn  Mn3  1  0.602  0.200  0.802  1.0
  Cd  Cd4  1  0.000  0.000  0.000  1.0
  S  S5  1  0.309  0.105  0.414  1.0
  S  S6  1  0.105  0.691  0.795  1.0
  S  S7  1  0.500  0.500  0.000  1.0
  S  S8  1  0.691  0.895  0.586  1.0
  S  S9  1  0.895  0.309  0.205  1.0
[/CIF]
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