The compound described by Mn5SiC crystallizes in the orthorhombic Cmc2_1 space group. There are six inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a distorted single-bond geometry to one Mn(2), three equivalent Si(1), and one C(1) atom. In the second Mn site, Mn(2) is bonded in a 10-coordinate geometry to two equivalent Mn(1), two equivalent Mn(5), two equivalent Mn(6), two equivalent Si(1), one C(1), and one C(2) atom. In the third Mn site, Mn(3) is bonded in a distorted bent 150 degrees geometry to two equivalent Si(1), one C(1), and one C(2) atom. In the fourth Mn site, Mn(4) is bonded in a distorted water-like geometry to two equivalent Si(1), one C(1), and one C(2) atom. In the fifth Mn site, Mn(5) is bonded in a 2-coordinate geometry to one Mn(2), two equivalent Si(1), one C(1), and one C(2) atom. In the sixth Mn site, Mn(6) is bonded in a distorted single-bond geometry to one Mn(2), three equivalent Si(1), and one C(2) atom. Si(1) is bonded to one Mn(2), one Mn(3), two equivalent Mn(4), two equivalent Mn(5), three equivalent Mn(1), and three equivalent Mn(6) atoms to form a mixture of face, corner, and edge-sharing SiMn12 cuboctahedra. There are two inequivalent C sites. In the first C site, C(1) is bonded in a 8-coordinate geometry to one Mn(2), one Mn(3), two equivalent Mn(1), two equivalent Mn(4), and two equivalent Mn(5) atoms. In the second C site, C(2) is bonded in a 7-coordinate geometry to one Mn(2), one Mn(3), two equivalent Mn(4), two equivalent Mn(5), and two equivalent Mn(6) atoms. is represented by the CIF file [CIF]
data_Mn5SiC
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.373
_cell_length_b   6.373
_cell_length_c   7.505
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   104.570
_symmetry_Int_Tables_number   1
_cell_volume   294.984
_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  0.511  0.813  0.875  1.0
  Mn  Mn1  1  0.813  0.511  0.875  1.0
  Mn  Mn2  1  0.489  0.187  0.375  1.0
  Mn  Mn3  1  0.187  0.489  0.375  1.0
  Mn  Mn4  1  0.540  0.540  0.177  1.0
  Mn  Mn5  1  0.460  0.460  0.677  1.0
  Mn  Mn6  1  0.861  0.861  0.690  1.0
  Mn  Mn7  1  0.139  0.139  0.190  1.0
  Mn  Mn8  1  0.872  0.122  0.940  1.0
  Mn  Mn9  1  0.122  0.872  0.940  1.0
  Mn  Mn10  1  0.128  0.878  0.440  1.0
  Mn  Mn11  1  0.878  0.128  0.440  1.0
  Mn  Mn12  1  0.705  0.940  0.191  1.0
  Mn  Mn13  1  0.940  0.705  0.191  1.0
  Mn  Mn14  1  0.295  0.060  0.691  1.0
  Mn  Mn15  1  0.060  0.295  0.691  1.0
  Mn  Mn16  1  0.516  0.817  0.502  1.0
  Mn  Mn17  1  0.817  0.516  0.502  1.0
  Mn  Mn18  1  0.484  0.183  0.002  1.0
  Mn  Mn19  1  0.183  0.484  0.002  1.0
  Si  Si20  1  0.664  0.174  0.689  1.0
  Si  Si21  1  0.174  0.664  0.689  1.0
  Si  Si22  1  0.336  0.826  0.189  1.0
  Si  Si23  1  0.826  0.336  0.189  1.0
  C  C24  1  0.798  0.798  0.975  1.0
  C  C25  1  0.202  0.202  0.475  1.0
  C  C26  1  0.807  0.807  0.408  1.0
  C  C27  1  0.193  0.193  0.908  1.0
[/CIF]
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The compound described by Mn5SiC crystallizes in the orthorhombic Cmc2_1 space group. There are six inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a distorted single-bond geometry to one Mn(2), three equivalent Si(1), and one C(1) atom. In the second Mn site, Mn(2) is bonded in a 10-coordinate geometry to two equivalent Mn(1), two equivalent Mn(5), two equivalent Mn(6), two equivalent Si(1), one C(1), and one C(2) atom. In the third Mn site, Mn(3) is bonded in a distorted bent 150 degrees geometry to two equivalent Si(1), one C(1), and one C(2) atom. In the fourth Mn site, Mn(4) is bonded in a distorted water-like geometry to two equivalent Si(1), one C(1), and one C(2) atom. In the fifth Mn site, Mn(5) is bonded in a 2-coordinate geometry to one Mn(2), two equivalent Si(1), one C(1), and one C(2) atom. In the sixth Mn site, Mn(6) is bonded in a distorted single-bond geometry to one Mn(2), three equivalent Si(1), and one C(2) atom. Si(1) is bonded to one Mn(2), one Mn(3), two equivalent Mn(4), two equivalent Mn(5), three equivalent Mn(1), and three equivalent Mn(6) atoms to form a mixture of face, corner, and edge-sharing SiMn12 cuboctahedra. There are two inequivalent C sites. In the first C site, C(1) is bonded in a 8-coordinate geometry to one Mn(2), one Mn(3), two equivalent Mn(1), two equivalent Mn(4), and two equivalent Mn(5) atoms. In the second C site, C(2) is bonded in a 7-coordinate geometry to one Mn(2), one Mn(3), two equivalent Mn(4), two equivalent Mn(5), and two equivalent Mn(6) atoms. is represented by the CIF file [CIF]
data_Mn5SiC
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.373
_cell_length_b   6.373
_cell_length_c   7.505
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   104.570
_symmetry_Int_Tables_number   1
_cell_volume   294.984
_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  0.511  0.813  0.875  1.0
  Mn  Mn1  1  0.813  0.511  0.875  1.0
  Mn  Mn2  1  0.489  0.187  0.375  1.0
  Mn  Mn3  1  0.187  0.489  0.375  1.0
  Mn  Mn4  1  0.540  0.540  0.177  1.0
  Mn  Mn5  1  0.460  0.460  0.677  1.0
  Mn  Mn6  1  0.861  0.861  0.690  1.0
  Mn  Mn7  1  0.139  0.139  0.190  1.0
  Mn  Mn8  1  0.872  0.122  0.940  1.0
  Mn  Mn9  1  0.122  0.872  0.940  1.0
  Mn  Mn10  1  0.128  0.878  0.440  1.0
  Mn  Mn11  1  0.878  0.128  0.440  1.0
  Mn  Mn12  1  0.705  0.940  0.191  1.0
  Mn  Mn13  1  0.940  0.705  0.191  1.0
  Mn  Mn14  1  0.295  0.060  0.691  1.0
  Mn  Mn15  1  0.060  0.295  0.691  1.0
  Mn  Mn16  1  0.516  0.817  0.502  1.0
  Mn  Mn17  1  0.817  0.516  0.502  1.0
  Mn  Mn18  1  0.484  0.183  0.002  1.0
  Mn  Mn19  1  0.183  0.484  0.002  1.0
  Si  Si20  1  0.664  0.174  0.689  1.0
  Si  Si21  1  0.174  0.664  0.689  1.0
  Si  Si22  1  0.336  0.826  0.189  1.0
  Si  Si23  1  0.826  0.336  0.189  1.0
  C  C24  1  0.798  0.798  0.975  1.0
  C  C25  1  0.202  0.202  0.475  1.0
  C  C26  1  0.807  0.807  0.408  1.0
  C  C27  1  0.193  0.193  0.908  1.0
[/CIF]
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