The material structure described by Mn4FeC2 crystallizes in the monoclinic C2 space group. There are five 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. In the second Mn site, Mn(2) is bonded to two equivalent C(1) and two equivalent C(2) atoms to form distorted edge-sharing MnC4 tetrahedra. In the third Mn site, Mn(3) is bonded to two equivalent C(1) and two equivalent C(2) atoms to form distorted edge-sharing MnC4 tetrahedra. In the fourth Mn site, Mn(4) is bonded in a distorted bent 150 degrees geometry to one C(1) and one C(2) atom. In the fifth Mn site, Mn(5) is bonded in a distorted bent 150 degrees geometry to one C(1) and one C(2) atom. Fe(1) is bonded in a 3-coordinate geometry to one C(2) and two equivalent C(1) atoms. There are two inequivalent C sites. In the first C site, C(1) is bonded in a 7-coordinate geometry to one Mn(1), one Mn(2), one Mn(3), one Mn(4), one Mn(5), and two equivalent Fe(1) atoms. In the second C site, C(2) is bonded in a 7-coordinate geometry to one Mn(2), one Mn(3), one Mn(4), one Mn(5), two equivalent Mn(1), and one Fe(1) atom. is represented by the CIF file [CIF]
data_Mn4FeC2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.489
_cell_length_b   5.003
_cell_length_c   6.214
_cell_angle_alpha   96.869
_cell_angle_beta   68.827
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   129.084
_cell_formula_units_Z   2
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  0.805  0.189  0.564  1.0
  Mn  Mn1  1  0.369  0.311  0.436  1.0
  Mn  Mn2  1  0.426  0.750  0.000  1.0
  Mn  Mn3  1  0.572  0.250  0.000  1.0
  Mn  Mn4  1  0.810  0.920  0.198  1.0
  Mn  Mn5  1  0.008  0.580  0.802  1.0
  Mn  Mn6  1  0.182  0.085  0.806  1.0
  Mn  Mn7  1  0.988  0.415  0.194  1.0
  Fe  Fe8  1  0.204  0.811  0.434  1.0
  Fe  Fe9  1  0.637  0.689  0.566  1.0
  C  C10  1  0.571  0.580  0.227  1.0
  C  C11  1  0.797  0.920  0.773  1.0
  C  C12  1  0.430  0.422  0.771  1.0
  C  C13  1  0.201  0.078  0.229  1.0
[/CIF]
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The material structure described by Mn4FeC2 crystallizes in the monoclinic C2 space group. There are five 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. In the second Mn site, Mn(2) is bonded to two equivalent C(1) and two equivalent C(2) atoms to form distorted edge-sharing MnC4 tetrahedra. In the third Mn site, Mn(3) is bonded to two equivalent C(1) and two equivalent C(2) atoms to form distorted edge-sharing MnC4 tetrahedra. In the fourth Mn site, Mn(4) is bonded in a distorted bent 150 degrees geometry to one C(1) and one C(2) atom. In the fifth Mn site, Mn(5) is bonded in a distorted bent 150 degrees geometry to one C(1) and one C(2) atom. Fe(1) is bonded in a 3-coordinate geometry to one C(2) and two equivalent C(1) atoms. There are two inequivalent C sites. In the first C site, C(1) is bonded in a 7-coordinate geometry to one Mn(1), one Mn(2), one Mn(3), one Mn(4), one Mn(5), and two equivalent Fe(1) atoms. In the second C site, C(2) is bonded in a 7-coordinate geometry to one Mn(2), one Mn(3), one Mn(4), one Mn(5), two equivalent Mn(1), and one Fe(1) atom. is represented by the CIF file [CIF]
data_Mn4FeC2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.489
_cell_length_b   5.003
_cell_length_c   6.214
_cell_angle_alpha   96.869
_cell_angle_beta   68.827
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   129.084
_cell_formula_units_Z   2
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  0.805  0.189  0.564  1.0
  Mn  Mn1  1  0.369  0.311  0.436  1.0
  Mn  Mn2  1  0.426  0.750  0.000  1.0
  Mn  Mn3  1  0.572  0.250  0.000  1.0
  Mn  Mn4  1  0.810  0.920  0.198  1.0
  Mn  Mn5  1  0.008  0.580  0.802  1.0
  Mn  Mn6  1  0.182  0.085  0.806  1.0
  Mn  Mn7  1  0.988  0.415  0.194  1.0
  Fe  Fe8  1  0.204  0.811  0.434  1.0
  Fe  Fe9  1  0.637  0.689  0.566  1.0
  C  C10  1  0.571  0.580  0.227  1.0
  C  C11  1  0.797  0.920  0.773  1.0
  C  C12  1  0.430  0.422  0.771  1.0
  C  C13  1  0.201  0.078  0.229  1.0
[/CIF]
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