The material structure described by Sm12(OsC3)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), one C(3), and two equivalent C(4) atoms to form a mixture of distorted edge and corner-sharing SmC5 square pyramids. In the third Sm site, Sm(3) is bonded in a 8-coordinate geometry to two equivalent C(1), two equivalent C(3), and four equivalent C(4) atoms. There are two inequivalent Os sites. In the first Os site, Os(1) is bonded in a distorted trigonal planar geometry to one C(1) and two equivalent C(2) atoms. In the second Os site, Os(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 Os(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 Os(1) atoms to form CSm4Os2 octahedra that share corners with four equivalent C(2)Sm4Os2 octahedra and edges with four equivalent C(4)Sm5Os octahedra. The corner-sharing octahedral tilt angles range from 2-37°. In the third C site, C(3) is bonded in a 5-coordinate geometry to two equivalent Sm(2), two equivalent Sm(3), 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 Os(2) atom to form CSm5Os octahedra that share corners with five equivalent C(4)Sm5Os octahedra, edges with two equivalent C(2)Sm4Os2 octahedra, and edges with three equivalent C(4)Sm5Os octahedra. The corner-sharing octahedral tilt angles range from 7-45°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sm12(OsC3)5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.238
_cell_length_b   10.856
_cell_length_c   10.856
_cell_angle_alpha   120.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   534.664
_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  0.206  0.206  1.0
  Sm  Sm1  1  0.500  0.000  0.794  1.0
  Sm  Sm2  1  0.500  0.794  1.000  1.0
  Sm  Sm3  1  1.000  0.727  0.184  1.0
  Sm  Sm4  1  1.000  0.457  0.273  1.0
  Sm  Sm5  1  0.000  0.543  0.816  1.0
  Sm  Sm6  1  1.000  0.816  0.543  1.0
  Sm  Sm7  1  0.000  0.184  0.727  1.0
  Sm  Sm8  1  1.000  0.273  0.457  1.0
  Sm  Sm9  1  0.500  0.569  0.569  1.0
  Sm  Sm10  1  0.500  0.000  0.431  1.0
  Sm  Sm11  1  0.500  0.431  1.000  1.0
  Os  Os12  1  0.000  0.839  0.839  1.0
  Os  Os13  1  0.000  1.000  0.161  1.0
  Os  Os14  1  0.000  0.161  0.000  1.0
  Os  Os15  1  0.500  0.667  0.333  1.0
  Os  Os16  1  0.500  0.333  0.667  1.0
  C  C17  1  0.000  0.667  0.667  1.0
  C  C18  1  0.000  0.000  0.333  1.0
  C  C19  1  0.000  0.333  1.000  1.0
  C  C20  1  0.000  0.203  0.203  1.0
  C  C21  1  0.000  0.000  0.797  1.0
  C  C22  1  0.000  0.797  1.000  1.0
  C  C23  1  1.000  0.544  0.544  1.0
  C  C24  1  1.000  0.000  0.456  1.0
  C  C25  1  1.000  0.456  1.000  1.0
  C  C26  1  0.500  0.714  0.186  1.0
  C  C27  1  0.500  0.472  0.286  1.0
  C  C28  1  0.500  0.528  0.814  1.0
  C  C29  1  0.500  0.814  0.528  1.0
  C  C30  1  0.500  0.186  0.714  1.0
  C  C31  1  0.500  0.286  0.472  1.0
[/CIF]
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The material structure described by Sm12(OsC3)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), one C(3), and two equivalent C(4) atoms to form a mixture of distorted edge and corner-sharing SmC5 square pyramids. In the third Sm site, Sm(3) is bonded in a 8-coordinate geometry to two equivalent C(1), two equivalent C(3), and four equivalent C(4) atoms. There are two inequivalent Os sites. In the first Os site, Os(1) is bonded in a distorted trigonal planar geometry to one C(1) and two equivalent C(2) atoms. In the second Os site, Os(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 Os(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 Os(1) atoms to form CSm4Os2 octahedra that share corners with four equivalent C(2)Sm4Os2 octahedra and edges with four equivalent C(4)Sm5Os octahedra. The corner-sharing octahedral tilt angles range from 2-37°. In the third C site, C(3) is bonded in a 5-coordinate geometry to two equivalent Sm(2), two equivalent Sm(3), 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 Os(2) atom to form CSm5Os octahedra that share corners with five equivalent C(4)Sm5Os octahedra, edges with two equivalent C(2)Sm4Os2 octahedra, and edges with three equivalent C(4)Sm5Os octahedra. The corner-sharing octahedral tilt angles range from 7-45°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sm12(OsC3)5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.238
_cell_length_b   10.856
_cell_length_c   10.856
_cell_angle_alpha   120.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   534.664
_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  0.206  0.206  1.0
  Sm  Sm1  1  0.500  0.000  0.794  1.0
  Sm  Sm2  1  0.500  0.794  1.000  1.0
  Sm  Sm3  1  1.000  0.727  0.184  1.0
  Sm  Sm4  1  1.000  0.457  0.273  1.0
  Sm  Sm5  1  0.000  0.543  0.816  1.0
  Sm  Sm6  1  1.000  0.816  0.543  1.0
  Sm  Sm7  1  0.000  0.184  0.727  1.0
  Sm  Sm8  1  1.000  0.273  0.457  1.0
  Sm  Sm9  1  0.500  0.569  0.569  1.0
  Sm  Sm10  1  0.500  0.000  0.431  1.0
  Sm  Sm11  1  0.500  0.431  1.000  1.0
  Os  Os12  1  0.000  0.839  0.839  1.0
  Os  Os13  1  0.000  1.000  0.161  1.0
  Os  Os14  1  0.000  0.161  0.000  1.0
  Os  Os15  1  0.500  0.667  0.333  1.0
  Os  Os16  1  0.500  0.333  0.667  1.0
  C  C17  1  0.000  0.667  0.667  1.0
  C  C18  1  0.000  0.000  0.333  1.0
  C  C19  1  0.000  0.333  1.000  1.0
  C  C20  1  0.000  0.203  0.203  1.0
  C  C21  1  0.000  0.000  0.797  1.0
  C  C22  1  0.000  0.797  1.000  1.0
  C  C23  1  1.000  0.544  0.544  1.0
  C  C24  1  1.000  0.000  0.456  1.0
  C  C25  1  1.000  0.456  1.000  1.0
  C  C26  1  0.500  0.714  0.186  1.0
  C  C27  1  0.500  0.472  0.286  1.0
  C  C28  1  0.500  0.528  0.814  1.0
  C  C29  1  0.500  0.814  0.528  1.0
  C  C30  1  0.500  0.186  0.714  1.0
  C  C31  1  0.500  0.286  0.472  1.0
[/CIF]
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