The material described by Mn2Cu10Sb4S13 crystallizes in the tetragonal I-42m space group. Mn(1) is bonded in a 3-coordinate geometry to one S(1) and two equivalent S(2) atoms. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to two equivalent S(2) and two equivalent S(3) atoms to form corner-sharing CuS4 tetrahedra. In the second Cu site, Cu(2) is bonded to four equivalent S(3) atoms to form corner-sharing CuS4 tetrahedra. In the third Cu site, Cu(3) is bonded in a distorted trigonal planar geometry to one S(1) and two equivalent S(3) atoms. Sb(1) is bonded in a 3-coordinate geometry to one S(2) and two equivalent S(3) atoms. There are three inequivalent S sites. In the first S site, S(1) is bonded to two equivalent Mn(1) and four equivalent Cu(3) atoms to form SMn2Cu4 octahedra that share corners with four equivalent S(2)MnCu2Sb tetrahedra and corners with eight equivalent S(3)Cu3Sb tetrahedra. In the second S site, S(2) is bonded to one Mn(1), two equivalent Cu(1), and one Sb(1) atom to form SMnCu2Sb tetrahedra that share  a cornercorner with one S(1)Mn2Cu4 octahedra, corners with three equivalent S(2)MnCu2Sb tetrahedra, and corners with six equivalent S(3)Cu3Sb tetrahedra. The corner-sharing octahedral tilt angles are 48°. In the third S site, S(3) is bonded to one Cu(1), one Cu(2), one Cu(3), and one Sb(1) atom to form SCu3Sb tetrahedra that share  a cornercorner with one S(1)Mn2Cu4 octahedra, corners with three equivalent S(2)MnCu2Sb tetrahedra, and corners with six equivalent S(3)Cu3Sb tetrahedra. The corner-sharing octahedral tilt angles are 49°. is represented by the CIF card [CIF]
data_Mn2Cu10Sb4S13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.051
_cell_length_b   9.051
_cell_length_c   9.051
_cell_angle_alpha   110.210
_cell_angle_beta   110.210
_cell_angle_gamma   108.003
_symmetry_Int_Tables_number   1
_cell_volume   570.497
_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  0.778  0.778  0.000  1.0
  Mn  Mn1  1  0.222  0.222  0.000  1.0
  Cu  Cu2  1  0.752  0.500  0.252  1.0
  Cu  Cu3  1  0.250  0.750  0.500  1.0
  Cu  Cu4  1  0.500  0.248  0.748  1.0
  Cu  Cu5  1  0.500  0.752  0.252  1.0
  Cu  Cu6  1  0.750  0.250  0.500  1.0
  Cu  Cu7  1  0.248  0.500  0.748  1.0
  Cu  Cu8  1  0.000  0.778  0.778  1.0
  Cu  Cu9  1  0.778  0.000  0.778  1.0
  Cu  Cu10  1  0.000  0.222  0.222  1.0
  Cu  Cu11  1  0.222  0.000  0.222  1.0
  Sb  Sb12  1  0.466  0.466  0.458  1.0
  Sb  Sb13  1  0.008  0.008  0.542  1.0
  Sb  Sb14  1  0.992  0.534  0.000  1.0
  Sb  Sb15  1  0.534  0.992  0.000  1.0
  S  S16  1  0.000  0.000  0.000  1.0
  S  S17  1  0.512  0.512  0.763  1.0
  S  S18  1  0.771  0.520  0.522  1.0
  S  S19  1  0.520  0.771  0.522  1.0
  S  S20  1  0.749  0.749  0.237  1.0
  S  S21  1  0.998  0.249  0.478  1.0
  S  S22  1  0.249  0.998  0.478  1.0
  S  S23  1  0.251  0.488  0.000  1.0
  S  S24  1  0.002  0.480  0.251  1.0
  S  S25  1  0.751  0.229  0.749  1.0
  S  S26  1  0.488  0.251  0.000  1.0
  S  S27  1  0.229  0.751  0.749  1.0
  S  S28  1  0.480  0.002  0.251  1.0
[/CIF]
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The material described by Mn2Cu10Sb4S13 crystallizes in the tetragonal I-42m space group. Mn(1) is bonded in a 3-coordinate geometry to one S(1) and two equivalent S(2) atoms. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to two equivalent S(2) and two equivalent S(3) atoms to form corner-sharing CuS4 tetrahedra. In the second Cu site, Cu(2) is bonded to four equivalent S(3) atoms to form corner-sharing CuS4 tetrahedra. In the third Cu site, Cu(3) is bonded in a distorted trigonal planar geometry to one S(1) and two equivalent S(3) atoms. Sb(1) is bonded in a 3-coordinate geometry to one S(2) and two equivalent S(3) atoms. There are three inequivalent S sites. In the first S site, S(1) is bonded to two equivalent Mn(1) and four equivalent Cu(3) atoms to form SMn2Cu4 octahedra that share corners with four equivalent S(2)MnCu2Sb tetrahedra and corners with eight equivalent S(3)Cu3Sb tetrahedra. In the second S site, S(2) is bonded to one Mn(1), two equivalent Cu(1), and one Sb(1) atom to form SMnCu2Sb tetrahedra that share  a cornercorner with one S(1)Mn2Cu4 octahedra, corners with three equivalent S(2)MnCu2Sb tetrahedra, and corners with six equivalent S(3)Cu3Sb tetrahedra. The corner-sharing octahedral tilt angles are 48°. In the third S site, S(3) is bonded to one Cu(1), one Cu(2), one Cu(3), and one Sb(1) atom to form SCu3Sb tetrahedra that share  a cornercorner with one S(1)Mn2Cu4 octahedra, corners with three equivalent S(2)MnCu2Sb tetrahedra, and corners with six equivalent S(3)Cu3Sb tetrahedra. The corner-sharing octahedral tilt angles are 49°. is represented by the CIF card [CIF]
data_Mn2Cu10Sb4S13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.051
_cell_length_b   9.051
_cell_length_c   9.051
_cell_angle_alpha   110.210
_cell_angle_beta   110.210
_cell_angle_gamma   108.003
_symmetry_Int_Tables_number   1
_cell_volume   570.497
_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  0.778  0.778  0.000  1.0
  Mn  Mn1  1  0.222  0.222  0.000  1.0
  Cu  Cu2  1  0.752  0.500  0.252  1.0
  Cu  Cu3  1  0.250  0.750  0.500  1.0
  Cu  Cu4  1  0.500  0.248  0.748  1.0
  Cu  Cu5  1  0.500  0.752  0.252  1.0
  Cu  Cu6  1  0.750  0.250  0.500  1.0
  Cu  Cu7  1  0.248  0.500  0.748  1.0
  Cu  Cu8  1  0.000  0.778  0.778  1.0
  Cu  Cu9  1  0.778  0.000  0.778  1.0
  Cu  Cu10  1  0.000  0.222  0.222  1.0
  Cu  Cu11  1  0.222  0.000  0.222  1.0
  Sb  Sb12  1  0.466  0.466  0.458  1.0
  Sb  Sb13  1  0.008  0.008  0.542  1.0
  Sb  Sb14  1  0.992  0.534  0.000  1.0
  Sb  Sb15  1  0.534  0.992  0.000  1.0
  S  S16  1  0.000  0.000  0.000  1.0
  S  S17  1  0.512  0.512  0.763  1.0
  S  S18  1  0.771  0.520  0.522  1.0
  S  S19  1  0.520  0.771  0.522  1.0
  S  S20  1  0.749  0.749  0.237  1.0
  S  S21  1  0.998  0.249  0.478  1.0
  S  S22  1  0.249  0.998  0.478  1.0
  S  S23  1  0.251  0.488  0.000  1.0
  S  S24  1  0.002  0.480  0.251  1.0
  S  S25  1  0.751  0.229  0.749  1.0
  S  S26  1  0.488  0.251  0.000  1.0
  S  S27  1  0.229  0.751  0.749  1.0
  S  S28  1  0.480  0.002  0.251  1.0
[/CIF]
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