data_Mn5C7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.09
_cell_length_b   5.09
_cell_length_c   5.09
_cell_angle_alpha   104.96
_cell_angle_beta   104.96
_cell_angle_gamma   118.92
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn5C7
_chemical_formula_sum   'Mn5 C7'
_cell_volume   99.23
_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  Mn7  1  0.0  0.0  0.83  1.0
  Mn  Mn8  1  0.76  0.24  0.58  1.0
  Mn  Mn9  1  0.24  0.76  0.58  1.0
  Mn  Mn10  1  0.24  0.24  0.58  1.0
  Mn  Mn11  1  0.86  0.86  1.0  1.0
  C  C0  1  0.0  0.0  0.55  1.0
  C  C1  1  0.1  0.0  0.04  1.0
  C  C2  1  0.0  0.1  0.04  1.0
  C  C3  1  0.73  0.1  0.53  1.0
  C  C4  1  0.27  0.1  0.53  1.0
  C  C5  1  0.1  0.27  0.53  1.0
  C  C6  1  0.1  0.73  0.53  1.0

data_Mn5C7
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.17
_cell_length_b   8.76
_cell_length_c   5.09
_cell_angle_alpha   90.0
_cell_angle_beta   120.54
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Mn5C7
_chemical_formula_sum   'Mn10 C14'
_cell_volume   198.45
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  4  0.0  0.24  0.42  1.0
  Mn  Mn1  2  0.0  0.0  0.17  1.0
  Mn  Mn2  2  0.14  0.0  0.0  1.0
  Mn  Mn3  2  0.26  0.5  0.42  1.0
  C  C4  4  0.09  0.19  0.47  1.0
  C  C5  4  0.31  0.41  0.47  1.0
  C  C6  4  0.45  0.45  0.96  1.0
  C  C7  2  0.0  0.0  0.45  1.0

Mn Mn Mn Mn Mn C C C C C C C
Mn Mn Mn Mn Mn C C C C C C C 0 7 o o + 0 6 o o + 1 8 o o o 2 11 o o o 3 10 o o o 3 9 o o o 3 5 o o o 4 7 + + + 4 6 + + + 5 10 o o o 5 9 o o o 6 7 o o o 
Mn3C5(MnC)2 crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of four methylidynemanganese molecules and two Mn3C5 clusters. In each Mn3C5 cluster, there are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 3-coordinate geometry to one C(1) and two equivalent C(2) atoms. The Mn(1)-C(1) bond length is 1.45 Å. Both Mn(1)-C(2) bond lengths are 1.03 Å. In the second Mn site, Mn(3) is bonded in a 3-coordinate geometry to one C(1) and two equivalent C(4) atoms. The Mn(3)-C(1) bond length is 1.16 Å. Both Mn(3)-C(4) bond lengths are 0.81 Å. In the third Mn site, Mn(4) is bonded in a 2-coordinate geometry to two equivalent C(2) atoms. Both Mn(4)-C(2) bond lengths are 0.99 Å. There are three inequivalent C sites. In the first C site, C(1) is bonded in a distorted bent 120 degrees geometry to one Mn(1) and one Mn(3) atom. In the second C site, C(2) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(4), and one C(2) atom. The C(2)-C(2) bond length is 0.86 Å. In the third C site, C(4) is bonded in a single-bond geometry to one Mn(3) atom.