The structure described by Sm12(MnC3)5 crystallizes in the hexagonal P-62m space group. There are three inequivalent Sm sites. In the first Sm site, Sm(1) is bonded in a rectangular see-saw-like geometry to two equivalent C(2) and two equivalent C(4) atoms. In the second Sm site, Sm(2) is bonded to one C(1), one C(2), two equivalent C(3), and two equivalent C(4) atoms to form distorted SmC6 square pyramids that share corners with six equivalent Sm(2)C6 square pyramids, edges with two equivalent Sm(3)C8 hexagonal bipyramids, edges with two equivalent Sm(2)C6 square pyramids, and faces with two equivalent Sm(3)C8 hexagonal bipyramids. In the third Sm site, Sm(3) is bonded to two equivalent C(1), two equivalent C(3), and four equivalent C(4) atoms to form distorted SmC8 hexagonal bipyramids that share corners with four equivalent Sm(3)C8 hexagonal bipyramids, edges with two equivalent Sm(3)C8 hexagonal bipyramids, edges with four equivalent Sm(2)C6 square pyramids, and faces with four equivalent Sm(2)C6 square pyramids. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a distorted trigonal non-coplanar geometry to one C(1) and two equivalent C(2) atoms. In the second Mn site, Mn(2) is bonded in a trigonal planar geometry to three equivalent C(4) atoms. There are four inequivalent C sites. In the first C site, C(1) is bonded in a 6-coordinate geometry to two equivalent Sm(2), two equivalent Sm(3), one Mn(1), and one C(3) atom. In the second C site, C(2) is bonded to two equivalent Sm(1), two equivalent Sm(2), and two equivalent Mn(1) atoms to form CSm4Mn2 octahedra that share corners with four equivalent C(2)Sm4Mn2 octahedra and edges with four equivalent C(4)Sm5Mn octahedra. The corner-sharing octahedral tilt angles range from 2-33°. In the third C site, C(3) is bonded in a 7-coordinate geometry to two equivalent Sm(3), four equivalent Sm(2), and one C(1) atom. In the fourth C site, C(4) is bonded to one Sm(1), two equivalent Sm(2), two equivalent Sm(3), and one Mn(2) atom to form distorted CSm5Mn octahedra that share corners with five equivalent C(4)Sm5Mn octahedra, edges with two equivalent C(2)Sm4Mn2 octahedra, and edges with three equivalent C(4)Sm5Mn octahedra. The corner-sharing octahedral tilt angles range from 10-38°. is represented by the CIF file [CIF]
data_Sm12(MnC3)5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.230
_cell_length_b   10.651
_cell_length_c   10.651
_cell_angle_alpha   120.001
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   513.895
_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  0.500  0.207  0.207  1.0
  Sm  Sm1  1  0.500  1.000  0.793  1.0
  Sm  Sm2  1  0.500  0.793  1.000  1.0
  Sm  Sm3  1  0.000  0.729  0.186  1.0
  Sm  Sm4  1  0.000  0.457  0.271  1.0
  Sm  Sm5  1  0.000  0.543  0.814  1.0
  Sm  Sm6  1  0.000  0.814  0.543  1.0
  Sm  Sm7  1  0.000  0.186  0.729  1.0
  Sm  Sm8  1  0.000  0.271  0.457  1.0
  Sm  Sm9  1  0.500  0.575  0.575  1.0
  Sm  Sm10  1  0.500  1.000  0.425  1.0
  Sm  Sm11  1  0.500  0.425  1.000  1.0
  Mn  Mn12  1  0.000  0.847  0.847  1.0
  Mn  Mn13  1  0.000  0.000  0.153  1.0
  Mn  Mn14  1  0.000  0.153  1.000  1.0
  Mn  Mn15  1  0.500  0.667  0.333  1.0
  Mn  Mn16  1  0.500  0.333  0.667  1.0
  C  C17  1  0.000  0.676  0.676  1.0
  C  C18  1  0.000  1.000  0.324  1.0
  C  C19  1  0.000  0.324  1.000  1.0
  C  C20  1  0.000  0.202  0.202  1.0
  C  C21  1  0.000  0.000  0.798  1.0
  C  C22  1  0.000  0.798  0.000  1.0
  C  C23  1  0.000  0.550  0.550  1.0
  C  C24  1  0.000  1.000  0.450  1.0
  C  C25  1  0.000  0.450  0.000  1.0
  C  C26  1  0.500  0.716  0.197  1.0
  C  C27  1  0.500  0.481  0.284  1.0
  C  C28  1  0.500  0.519  0.803  1.0
  C  C29  1  0.500  0.803  0.519  1.0
  C  C30  1  0.500  0.197  0.716  1.0
  C  C31  1  0.500  0.284  0.481  1.0
[/CIF]
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The structure described by Sm12(MnC3)5 crystallizes in the hexagonal P-62m space group. There are three inequivalent Sm sites. In the first Sm site, Sm(1) is bonded in a rectangular see-saw-like geometry to two equivalent C(2) and two equivalent C(4) atoms. In the second Sm site, Sm(2) is bonded to one C(1), one C(2), two equivalent C(3), and two equivalent C(4) atoms to form distorted SmC6 square pyramids that share corners with six equivalent Sm(2)C6 square pyramids, edges with two equivalent Sm(3)C8 hexagonal bipyramids, edges with two equivalent Sm(2)C6 square pyramids, and faces with two equivalent Sm(3)C8 hexagonal bipyramids. In the third Sm site, Sm(3) is bonded to two equivalent C(1), two equivalent C(3), and four equivalent C(4) atoms to form distorted SmC8 hexagonal bipyramids that share corners with four equivalent Sm(3)C8 hexagonal bipyramids, edges with two equivalent Sm(3)C8 hexagonal bipyramids, edges with four equivalent Sm(2)C6 square pyramids, and faces with four equivalent Sm(2)C6 square pyramids. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a distorted trigonal non-coplanar geometry to one C(1) and two equivalent C(2) atoms. In the second Mn site, Mn(2) is bonded in a trigonal planar geometry to three equivalent C(4) atoms. There are four inequivalent C sites. In the first C site, C(1) is bonded in a 6-coordinate geometry to two equivalent Sm(2), two equivalent Sm(3), one Mn(1), and one C(3) atom. In the second C site, C(2) is bonded to two equivalent Sm(1), two equivalent Sm(2), and two equivalent Mn(1) atoms to form CSm4Mn2 octahedra that share corners with four equivalent C(2)Sm4Mn2 octahedra and edges with four equivalent C(4)Sm5Mn octahedra. The corner-sharing octahedral tilt angles range from 2-33°. In the third C site, C(3) is bonded in a 7-coordinate geometry to two equivalent Sm(3), four equivalent Sm(2), and one C(1) atom. In the fourth C site, C(4) is bonded to one Sm(1), two equivalent Sm(2), two equivalent Sm(3), and one Mn(2) atom to form distorted CSm5Mn octahedra that share corners with five equivalent C(4)Sm5Mn octahedra, edges with two equivalent C(2)Sm4Mn2 octahedra, and edges with three equivalent C(4)Sm5Mn octahedra. The corner-sharing octahedral tilt angles range from 10-38°. is represented by the CIF file [CIF]
data_Sm12(MnC3)5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.230
_cell_length_b   10.651
_cell_length_c   10.651
_cell_angle_alpha   120.001
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   513.895
_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  0.500  0.207  0.207  1.0
  Sm  Sm1  1  0.500  1.000  0.793  1.0
  Sm  Sm2  1  0.500  0.793  1.000  1.0
  Sm  Sm3  1  0.000  0.729  0.186  1.0
  Sm  Sm4  1  0.000  0.457  0.271  1.0
  Sm  Sm5  1  0.000  0.543  0.814  1.0
  Sm  Sm6  1  0.000  0.814  0.543  1.0
  Sm  Sm7  1  0.000  0.186  0.729  1.0
  Sm  Sm8  1  0.000  0.271  0.457  1.0
  Sm  Sm9  1  0.500  0.575  0.575  1.0
  Sm  Sm10  1  0.500  1.000  0.425  1.0
  Sm  Sm11  1  0.500  0.425  1.000  1.0
  Mn  Mn12  1  0.000  0.847  0.847  1.0
  Mn  Mn13  1  0.000  0.000  0.153  1.0
  Mn  Mn14  1  0.000  0.153  1.000  1.0
  Mn  Mn15  1  0.500  0.667  0.333  1.0
  Mn  Mn16  1  0.500  0.333  0.667  1.0
  C  C17  1  0.000  0.676  0.676  1.0
  C  C18  1  0.000  1.000  0.324  1.0
  C  C19  1  0.000  0.324  1.000  1.0
  C  C20  1  0.000  0.202  0.202  1.0
  C  C21  1  0.000  0.000  0.798  1.0
  C  C22  1  0.000  0.798  0.000  1.0
  C  C23  1  0.000  0.550  0.550  1.0
  C  C24  1  0.000  1.000  0.450  1.0
  C  C25  1  0.000  0.450  0.000  1.0
  C  C26  1  0.500  0.716  0.197  1.0
  C  C27  1  0.500  0.481  0.284  1.0
  C  C28  1  0.500  0.519  0.803  1.0
  C  C29  1  0.500  0.803  0.519  1.0
  C  C30  1  0.500  0.197  0.716  1.0
  C  C31  1  0.500  0.284  0.481  1.0
[/CIF]
.