The material described by Sm2Mn2Fe13Al2C crystallizes in the triclinic P-1 space group. Sm(1) is bonded in a distorted single-bond geometry to two equivalent Fe(5), two equivalent Fe(6), three equivalent Fe(2), three equivalent Fe(3), one Al(1), and one C(1) atom. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 10-coordinate geometry to two equivalent Fe(2), two equivalent Fe(3), two equivalent Fe(5), two equivalent Fe(6), and two equivalent Al(1) atoms. In the second Mn site, Mn(2) is bonded in a 10-coordinate geometry to two equivalent Fe(1), two equivalent Fe(3), two equivalent Fe(4), two equivalent Fe(6), and two equivalent Al(1) atoms. There are seven inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a distorted single-bond geometry to one Mn(2), one Fe(2), one Fe(3), one Fe(5), one Fe(6), one Fe(7), one Al(1), and one C(1) atom. In the second Fe site, Fe(2) is bonded to three equivalent Sm(1), one Mn(1), one Fe(1), one Fe(3), one Fe(4), one Fe(6), one Fe(7), two equivalent Fe(5), and one Al(1) atom to form distorted FeSm3MnAlFe7 cuboctahedra that share corners with four equivalent Fe(2)Sm3MnAlFe7 cuboctahedra, corners with two equivalent C(1)Sm2Fe4 octahedra,  an edgeedge with one Fe(2)Sm3MnAlFe7 cuboctahedra,  a faceface with one Fe(2)Sm3MnAlFe7 cuboctahedra, and  a faceface with one C(1)Sm2Fe4 octahedra. The corner-sharing octahedral tilt angles range from 65-72°. In the third Fe site, Fe(3) is bonded in a 12-coordinate geometry to three equivalent Sm(1), one Mn(1), one Mn(2), one Fe(1), one Fe(2), one Fe(4), one Fe(5), two equivalent Fe(6), and one Al(1) atom. In the fourth Fe site, Fe(4) is bonded in a distorted single-bond geometry to one Mn(2), one Fe(2), one Fe(3), one Fe(5), one Fe(6), one Fe(7), two equivalent Al(1), and one C(1) atom. In the fifth Fe site, Fe(5) is bonded in a 12-coordinate geometry to two equivalent Sm(1), one Mn(1), one Fe(1), one Fe(3), one Fe(4), one Fe(6), one Fe(7), two equivalent Fe(2), and two equivalent Al(1) atoms. In the sixth Fe site, Fe(6) is bonded in a 12-coordinate geometry to two equivalent Sm(1), one Mn(1), one Mn(2), one Fe(1), one Fe(2), one Fe(4), one Fe(5), two equivalent Fe(3), and two equivalent Al(1) atoms. In the seventh Fe site, Fe(7) is bonded in a 10-coordinate geometry to two equivalent Fe(1), two equivalent Fe(2), two equivalent Fe(4), two equivalent Fe(5), and two equivalent Al(1) atoms. Al(1) is bonded in a 14-coordinate geometry to one Sm(1), one Mn(1), one Mn(2), one Fe(1), one Fe(2), one Fe(3), one Fe(7), two equivalent Fe(4), two equivalent Fe(5), two equivalent Fe(6), and one Al(1) atom. C(1) is bonded to two equivalent Sm(1), two equivalent Fe(1), and two equivalent Fe(4) atoms to form CSm2Fe4 octahedra that share corners with four equivalent Fe(2)Sm3MnAlFe7 cuboctahedra and faces with two equivalent Fe(2)Sm3MnAlFe7 cuboctahedra. is represented by the CIF card [CIF]
data_Sm2Mn2Al2Fe13C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.486
_cell_length_b   6.439
_cell_length_c   6.421
_cell_angle_alpha   83.243
_cell_angle_beta   83.311
_cell_angle_gamma   82.829
_symmetry_Int_Tables_number   1
_cell_volume   262.807
_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
  Sm  Sm0  1  0.655  0.655  0.640  1.0
  Sm  Sm1  1  0.345  0.345  0.360  1.0
  Mn  Mn2  1  0.000  0.000  0.500  1.0
  Mn  Mn3  1  0.000  0.500  0.000  1.0
  Al  Al4  1  0.895  0.899  0.897  1.0
  Al  Al5  1  0.105  0.101  0.103  1.0
  Fe  Fe6  1  0.343  0.344  0.852  1.0
  Fe  Fe7  1  0.340  0.852  0.345  1.0
  Fe  Fe8  1  0.854  0.340  0.345  1.0
  Fe  Fe9  1  0.657  0.656  0.148  1.0
  Fe  Fe10  1  0.660  0.148  0.655  1.0
  Fe  Fe11  1  0.146  0.660  0.655  1.0
  Fe  Fe12  1  0.283  0.713  0.999  1.0
  Fe  Fe13  1  0.722  0.003  0.282  1.0
  Fe  Fe14  1  0.998  0.284  0.714  1.0
  Fe  Fe15  1  0.278  0.997  0.718  1.0
  Fe  Fe16  1  0.002  0.716  0.286  1.0
  Fe  Fe17  1  0.717  0.287  0.001  1.0
  Fe  Fe18  1  0.500  0.000  0.000  1.0
  C  C19  1  0.500  0.500  0.000  1.0
[/CIF]
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The material described by Sm2Mn2Fe13Al2C crystallizes in the triclinic P-1 space group. Sm(1) is bonded in a distorted single-bond geometry to two equivalent Fe(5), two equivalent Fe(6), three equivalent Fe(2), three equivalent Fe(3), one Al(1), and one C(1) atom. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 10-coordinate geometry to two equivalent Fe(2), two equivalent Fe(3), two equivalent Fe(5), two equivalent Fe(6), and two equivalent Al(1) atoms. In the second Mn site, Mn(2) is bonded in a 10-coordinate geometry to two equivalent Fe(1), two equivalent Fe(3), two equivalent Fe(4), two equivalent Fe(6), and two equivalent Al(1) atoms. There are seven inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a distorted single-bond geometry to one Mn(2), one Fe(2), one Fe(3), one Fe(5), one Fe(6), one Fe(7), one Al(1), and one C(1) atom. In the second Fe site, Fe(2) is bonded to three equivalent Sm(1), one Mn(1), one Fe(1), one Fe(3), one Fe(4), one Fe(6), one Fe(7), two equivalent Fe(5), and one Al(1) atom to form distorted FeSm3MnAlFe7 cuboctahedra that share corners with four equivalent Fe(2)Sm3MnAlFe7 cuboctahedra, corners with two equivalent C(1)Sm2Fe4 octahedra,  an edgeedge with one Fe(2)Sm3MnAlFe7 cuboctahedra,  a faceface with one Fe(2)Sm3MnAlFe7 cuboctahedra, and  a faceface with one C(1)Sm2Fe4 octahedra. The corner-sharing octahedral tilt angles range from 65-72°. In the third Fe site, Fe(3) is bonded in a 12-coordinate geometry to three equivalent Sm(1), one Mn(1), one Mn(2), one Fe(1), one Fe(2), one Fe(4), one Fe(5), two equivalent Fe(6), and one Al(1) atom. In the fourth Fe site, Fe(4) is bonded in a distorted single-bond geometry to one Mn(2), one Fe(2), one Fe(3), one Fe(5), one Fe(6), one Fe(7), two equivalent Al(1), and one C(1) atom. In the fifth Fe site, Fe(5) is bonded in a 12-coordinate geometry to two equivalent Sm(1), one Mn(1), one Fe(1), one Fe(3), one Fe(4), one Fe(6), one Fe(7), two equivalent Fe(2), and two equivalent Al(1) atoms. In the sixth Fe site, Fe(6) is bonded in a 12-coordinate geometry to two equivalent Sm(1), one Mn(1), one Mn(2), one Fe(1), one Fe(2), one Fe(4), one Fe(5), two equivalent Fe(3), and two equivalent Al(1) atoms. In the seventh Fe site, Fe(7) is bonded in a 10-coordinate geometry to two equivalent Fe(1), two equivalent Fe(2), two equivalent Fe(4), two equivalent Fe(5), and two equivalent Al(1) atoms. Al(1) is bonded in a 14-coordinate geometry to one Sm(1), one Mn(1), one Mn(2), one Fe(1), one Fe(2), one Fe(3), one Fe(7), two equivalent Fe(4), two equivalent Fe(5), two equivalent Fe(6), and one Al(1) atom. C(1) is bonded to two equivalent Sm(1), two equivalent Fe(1), and two equivalent Fe(4) atoms to form CSm2Fe4 octahedra that share corners with four equivalent Fe(2)Sm3MnAlFe7 cuboctahedra and faces with two equivalent Fe(2)Sm3MnAlFe7 cuboctahedra. is represented by the CIF card [CIF]
data_Sm2Mn2Al2Fe13C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.486
_cell_length_b   6.439
_cell_length_c   6.421
_cell_angle_alpha   83.243
_cell_angle_beta   83.311
_cell_angle_gamma   82.829
_symmetry_Int_Tables_number   1
_cell_volume   262.807
_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
  Sm  Sm0  1  0.655  0.655  0.640  1.0
  Sm  Sm1  1  0.345  0.345  0.360  1.0
  Mn  Mn2  1  0.000  0.000  0.500  1.0
  Mn  Mn3  1  0.000  0.500  0.000  1.0
  Al  Al4  1  0.895  0.899  0.897  1.0
  Al  Al5  1  0.105  0.101  0.103  1.0
  Fe  Fe6  1  0.343  0.344  0.852  1.0
  Fe  Fe7  1  0.340  0.852  0.345  1.0
  Fe  Fe8  1  0.854  0.340  0.345  1.0
  Fe  Fe9  1  0.657  0.656  0.148  1.0
  Fe  Fe10  1  0.660  0.148  0.655  1.0
  Fe  Fe11  1  0.146  0.660  0.655  1.0
  Fe  Fe12  1  0.283  0.713  0.999  1.0
  Fe  Fe13  1  0.722  0.003  0.282  1.0
  Fe  Fe14  1  0.998  0.284  0.714  1.0
  Fe  Fe15  1  0.278  0.997  0.718  1.0
  Fe  Fe16  1  0.002  0.716  0.286  1.0
  Fe  Fe17  1  0.717  0.287  0.001  1.0
  Fe  Fe18  1  0.500  0.000  0.000  1.0
  C  C19  1  0.500  0.500  0.000  1.0
[/CIF]
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