The structure described by Mn5SiC crystallizes in the orthorhombic Cmcm space group. There are five inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a distorted water-like geometry to two equivalent Si(1) and two equivalent C(1) atoms. In the second Mn site, Mn(2) is bonded in a 2-coordinate geometry to one Mn(5), two equivalent Si(1), and two equivalent C(1) atoms. In the third Mn site, Mn(3) is bonded in a distorted single-bond geometry to one Mn(5), three equivalent Si(1), and one C(1) atom. In the fourth Mn site, Mn(4) is bonded in a distorted bent 150 degrees geometry to two equivalent Si(1) and two equivalent C(1) atoms. In the fifth Mn site, Mn(5) is bonded in a 10-coordinate geometry to two equivalent Mn(2), four equivalent Mn(3), two equivalent Si(1), and two equivalent C(1) atoms. Si(1) is bonded to one Mn(4), one Mn(5), two equivalent Mn(1), two equivalent Mn(2), and six equivalent Mn(3) atoms to form a mixture of distorted corner, edge, and face-sharing SiMn12 cuboctahedra. C(1) is bonded in a 7-coordinate geometry to one Mn(4), one Mn(5), two equivalent Mn(1), two equivalent Mn(2), and two equivalent Mn(3) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mn5SiC
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.360
_cell_length_b   6.360
_cell_length_c   7.497
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   103.865
_symmetry_Int_Tables_number   1
_cell_volume   294.470
_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  0.874  0.126  0.000  1.0
  Mn  Mn1  1  0.126  0.874  0.500  1.0
  Mn  Mn2  1  0.874  0.126  0.500  1.0
  Mn  Mn3  1  0.126  0.874  0.000  1.0
  Mn  Mn4  1  0.064  0.299  0.250  1.0
  Mn  Mn5  1  0.936  0.701  0.750  1.0
  Mn  Mn6  1  0.701  0.936  0.750  1.0
  Mn  Mn7  1  0.299  0.064  0.250  1.0
  Mn  Mn8  1  0.193  0.484  0.565  1.0
  Mn  Mn9  1  0.807  0.516  0.065  1.0
  Mn  Mn10  1  0.516  0.807  0.065  1.0
  Mn  Mn11  1  0.484  0.193  0.565  1.0
  Mn  Mn12  1  0.866  0.866  0.250  1.0
  Mn  Mn13  1  0.134  0.134  0.750  1.0
  Mn  Mn14  1  0.533  0.533  0.750  1.0
  Mn  Mn15  1  0.467  0.467  0.250  1.0
  Mn  Mn16  1  0.484  0.193  0.935  1.0
  Mn  Mn17  1  0.516  0.807  0.435  1.0
  Mn  Mn18  1  0.807  0.516  0.435  1.0
  Mn  Mn19  1  0.193  0.484  0.935  1.0
  Si  Si20  1  0.334  0.824  0.750  1.0
  Si  Si21  1  0.666  0.176  0.250  1.0
  Si  Si22  1  0.176  0.666  0.250  1.0
  Si  Si23  1  0.824  0.334  0.750  1.0
  C  C24  1  0.807  0.807  0.965  1.0
  C  C25  1  0.193  0.193  0.465  1.0
  C  C26  1  0.807  0.807  0.535  1.0
  C  C27  1  0.193  0.193  0.035  1.0
[/CIF]
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The structure described by Mn5SiC crystallizes in the orthorhombic Cmcm space group. There are five inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a distorted water-like geometry to two equivalent Si(1) and two equivalent C(1) atoms. In the second Mn site, Mn(2) is bonded in a 2-coordinate geometry to one Mn(5), two equivalent Si(1), and two equivalent C(1) atoms. In the third Mn site, Mn(3) is bonded in a distorted single-bond geometry to one Mn(5), three equivalent Si(1), and one C(1) atom. In the fourth Mn site, Mn(4) is bonded in a distorted bent 150 degrees geometry to two equivalent Si(1) and two equivalent C(1) atoms. In the fifth Mn site, Mn(5) is bonded in a 10-coordinate geometry to two equivalent Mn(2), four equivalent Mn(3), two equivalent Si(1), and two equivalent C(1) atoms. Si(1) is bonded to one Mn(4), one Mn(5), two equivalent Mn(1), two equivalent Mn(2), and six equivalent Mn(3) atoms to form a mixture of distorted corner, edge, and face-sharing SiMn12 cuboctahedra. C(1) is bonded in a 7-coordinate geometry to one Mn(4), one Mn(5), two equivalent Mn(1), two equivalent Mn(2), and two equivalent Mn(3) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mn5SiC
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.360
_cell_length_b   6.360
_cell_length_c   7.497
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   103.865
_symmetry_Int_Tables_number   1
_cell_volume   294.470
_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  0.874  0.126  0.000  1.0
  Mn  Mn1  1  0.126  0.874  0.500  1.0
  Mn  Mn2  1  0.874  0.126  0.500  1.0
  Mn  Mn3  1  0.126  0.874  0.000  1.0
  Mn  Mn4  1  0.064  0.299  0.250  1.0
  Mn  Mn5  1  0.936  0.701  0.750  1.0
  Mn  Mn6  1  0.701  0.936  0.750  1.0
  Mn  Mn7  1  0.299  0.064  0.250  1.0
  Mn  Mn8  1  0.193  0.484  0.565  1.0
  Mn  Mn9  1  0.807  0.516  0.065  1.0
  Mn  Mn10  1  0.516  0.807  0.065  1.0
  Mn  Mn11  1  0.484  0.193  0.565  1.0
  Mn  Mn12  1  0.866  0.866  0.250  1.0
  Mn  Mn13  1  0.134  0.134  0.750  1.0
  Mn  Mn14  1  0.533  0.533  0.750  1.0
  Mn  Mn15  1  0.467  0.467  0.250  1.0
  Mn  Mn16  1  0.484  0.193  0.935  1.0
  Mn  Mn17  1  0.516  0.807  0.435  1.0
  Mn  Mn18  1  0.807  0.516  0.435  1.0
  Mn  Mn19  1  0.193  0.484  0.935  1.0
  Si  Si20  1  0.334  0.824  0.750  1.0
  Si  Si21  1  0.666  0.176  0.250  1.0
  Si  Si22  1  0.176  0.666  0.250  1.0
  Si  Si23  1  0.824  0.334  0.750  1.0
  C  C24  1  0.807  0.807  0.965  1.0
  C  C25  1  0.193  0.193  0.465  1.0
  C  C26  1  0.807  0.807  0.535  1.0
  C  C27  1  0.193  0.193  0.035  1.0
[/CIF]
.