The structure described by Mn6C crystallizes in the cubic Fd-3m space group. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to six equivalent Mn(2) and six equivalent Mn(3) atoms to form distorted MnMn12 cuboctahedra that share corners with six equivalent Mn(2)Mn12 cuboctahedra, edges with six equivalent C(1)Mn6 octahedra, faces with six equivalent Mn(1)Mn12 cuboctahedra, and faces with eight equivalent Mn(2)Mn12 cuboctahedra. In the second Mn site, Mn(2) is bonded to three equivalent Mn(1), three equivalent Mn(2), and six equivalent Mn(3) atoms to form distorted MnMn12 cuboctahedra that share corners with three equivalent Mn(1)Mn12 cuboctahedra, corners with six equivalent Mn(2)Mn12 cuboctahedra, corners with three equivalent C(1)Mn6 octahedra, faces with four equivalent Mn(1)Mn12 cuboctahedra, faces with nine equivalent Mn(2)Mn12 cuboctahedra, and faces with three equivalent C(1)Mn6 octahedra. The corner-sharing octahedral tilt angles are 39°. In the third Mn site, Mn(3) is bonded in a distorted bent 150 degrees geometry to two equivalent Mn(1), four equivalent Mn(2), and two equivalent C(1) atoms. C(1) is bonded to six equivalent Mn(3) atoms to form CMn6 octahedra that share corners with six equivalent Mn(2)Mn12 cuboctahedra, corners with six equivalent C(1)Mn6 octahedra, edges with six equivalent Mn(1)Mn12 cuboctahedra, and faces with six equivalent Mn(2)Mn12 cuboctahedra. The corner-sharing octahedral tilt angles are 43°. is represented by the CIF card [CIF]
data_Mn6C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.419
_cell_length_b   7.419
_cell_length_c   7.419
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   288.728
_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  0.625  0.625  0.125  1.0
  Mn  Mn1  1  0.625  0.125  0.625  1.0
  Mn  Mn2  1  0.125  0.625  0.625  1.0
  Mn  Mn3  1  0.625  0.625  0.625  1.0
  Mn  Mn4  1  0.414  0.414  0.758  1.0
  Mn  Mn5  1  0.414  0.758  0.414  1.0
  Mn  Mn6  1  0.758  0.414  0.414  1.0
  Mn  Mn7  1  0.414  0.414  0.414  1.0
  Mn  Mn8  1  0.836  0.836  0.492  1.0
  Mn  Mn9  1  0.836  0.492  0.836  1.0
  Mn  Mn10  1  0.492  0.836  0.836  1.0
  Mn  Mn11  1  0.836  0.836  0.836  1.0
  Mn  Mn12  1  0.055  0.055  0.445  1.0
  Mn  Mn13  1  0.445  0.055  0.445  1.0
  Mn  Mn14  1  0.055  0.445  0.445  1.0
  Mn  Mn15  1  0.445  0.445  0.055  1.0
  Mn  Mn16  1  0.055  0.445  0.055  1.0
  Mn  Mn17  1  0.445  0.055  0.055  1.0
  Mn  Mn18  1  0.195  0.195  0.805  1.0
  Mn  Mn19  1  0.805  0.195  0.805  1.0
  Mn  Mn20  1  0.195  0.805  0.805  1.0
  Mn  Mn21  1  0.805  0.805  0.195  1.0
  Mn  Mn22  1  0.195  0.805  0.195  1.0
  Mn  Mn23  1  0.805  0.195  0.195  1.0
  C  C24  1  0.125  0.125  0.625  1.0
  C  C25  1  0.125  0.625  0.125  1.0
  C  C26  1  0.625  0.125  0.125  1.0
  C  C27  1  0.125  0.125  0.125  1.0
[/CIF]
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The structure described by Mn6C crystallizes in the cubic Fd-3m space group. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to six equivalent Mn(2) and six equivalent Mn(3) atoms to form distorted MnMn12 cuboctahedra that share corners with six equivalent Mn(2)Mn12 cuboctahedra, edges with six equivalent C(1)Mn6 octahedra, faces with six equivalent Mn(1)Mn12 cuboctahedra, and faces with eight equivalent Mn(2)Mn12 cuboctahedra. In the second Mn site, Mn(2) is bonded to three equivalent Mn(1), three equivalent Mn(2), and six equivalent Mn(3) atoms to form distorted MnMn12 cuboctahedra that share corners with three equivalent Mn(1)Mn12 cuboctahedra, corners with six equivalent Mn(2)Mn12 cuboctahedra, corners with three equivalent C(1)Mn6 octahedra, faces with four equivalent Mn(1)Mn12 cuboctahedra, faces with nine equivalent Mn(2)Mn12 cuboctahedra, and faces with three equivalent C(1)Mn6 octahedra. The corner-sharing octahedral tilt angles are 39°. In the third Mn site, Mn(3) is bonded in a distorted bent 150 degrees geometry to two equivalent Mn(1), four equivalent Mn(2), and two equivalent C(1) atoms. C(1) is bonded to six equivalent Mn(3) atoms to form CMn6 octahedra that share corners with six equivalent Mn(2)Mn12 cuboctahedra, corners with six equivalent C(1)Mn6 octahedra, edges with six equivalent Mn(1)Mn12 cuboctahedra, and faces with six equivalent Mn(2)Mn12 cuboctahedra. The corner-sharing octahedral tilt angles are 43°. is represented by the CIF card [CIF]
data_Mn6C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.419
_cell_length_b   7.419
_cell_length_c   7.419
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   288.728
_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  0.625  0.625  0.125  1.0
  Mn  Mn1  1  0.625  0.125  0.625  1.0
  Mn  Mn2  1  0.125  0.625  0.625  1.0
  Mn  Mn3  1  0.625  0.625  0.625  1.0
  Mn  Mn4  1  0.414  0.414  0.758  1.0
  Mn  Mn5  1  0.414  0.758  0.414  1.0
  Mn  Mn6  1  0.758  0.414  0.414  1.0
  Mn  Mn7  1  0.414  0.414  0.414  1.0
  Mn  Mn8  1  0.836  0.836  0.492  1.0
  Mn  Mn9  1  0.836  0.492  0.836  1.0
  Mn  Mn10  1  0.492  0.836  0.836  1.0
  Mn  Mn11  1  0.836  0.836  0.836  1.0
  Mn  Mn12  1  0.055  0.055  0.445  1.0
  Mn  Mn13  1  0.445  0.055  0.445  1.0
  Mn  Mn14  1  0.055  0.445  0.445  1.0
  Mn  Mn15  1  0.445  0.445  0.055  1.0
  Mn  Mn16  1  0.055  0.445  0.055  1.0
  Mn  Mn17  1  0.445  0.055  0.055  1.0
  Mn  Mn18  1  0.195  0.195  0.805  1.0
  Mn  Mn19  1  0.805  0.195  0.805  1.0
  Mn  Mn20  1  0.195  0.805  0.805  1.0
  Mn  Mn21  1  0.805  0.805  0.195  1.0
  Mn  Mn22  1  0.195  0.805  0.195  1.0
  Mn  Mn23  1  0.805  0.195  0.195  1.0
  C  C24  1  0.125  0.125  0.625  1.0
  C  C25  1  0.125  0.625  0.125  1.0
  C  C26  1  0.625  0.125  0.125  1.0
  C  C27  1  0.125  0.125  0.125  1.0
[/CIF]
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