The material described by SmCo12 crystallizes in the tetragonal I4/mmm space group. Sm(1) is bonded to four equivalent Co(2) and eight equivalent Co(1) atoms to form face-sharing SmCo12 cuboctahedra. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded in a 14-coordinate geometry to two equivalent Sm(1), two equivalent Co(1), four equivalent Co(3), and six equivalent Co(2) atoms. In the second Co site, Co(3) is bonded in a 11-coordinate geometry to two equivalent Co(2), four equivalent Co(1), and five equivalent Co(3) atoms. In the third Co site, Co(2) is bonded in a 11-coordinate geometry to one Sm(1), two equivalent Co(2), two equivalent Co(3), and six equivalent Co(1) atoms. is represented by the CIF card [CIF]
data_SmCo12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.634
_cell_length_b   6.634
_cell_length_c   6.634
_cell_angle_alpha   95.457
_cell_angle_beta   95.457
_cell_angle_gamma   144.078
_symmetry_Int_Tables_number   1
_cell_volume   162.933
_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  0.000  0.000  0.000  1.0
  Co  Co1  1  0.267  0.500  0.767  1.0
  Co  Co2  1  0.500  0.267  0.767  1.0
  Co  Co3  1  0.733  0.500  0.233  1.0
  Co  Co4  1  0.500  0.733  0.233  1.0
  Co  Co5  1  0.214  0.214  0.429  1.0
  Co  Co6  1  0.786  0.214  0.000  1.0
  Co  Co7  1  0.786  0.786  0.571  1.0
  Co  Co8  1  0.214  0.786  0.000  1.0
  Co  Co9  1  0.373  0.000  0.373  1.0
  Co  Co10  1  0.000  0.373  0.373  1.0
  Co  Co11  1  0.627  0.000  0.627  1.0
  Co  Co12  1  0.000  0.627  0.627  1.0
[/CIF]
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The material described by SmCo12 crystallizes in the tetragonal I4/mmm space group. Sm(1) is bonded to four equivalent Co(2) and eight equivalent Co(1) atoms to form face-sharing SmCo12 cuboctahedra. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded in a 14-coordinate geometry to two equivalent Sm(1), two equivalent Co(1), four equivalent Co(3), and six equivalent Co(2) atoms. In the second Co site, Co(3) is bonded in a 11-coordinate geometry to two equivalent Co(2), four equivalent Co(1), and five equivalent Co(3) atoms. In the third Co site, Co(2) is bonded in a 11-coordinate geometry to one Sm(1), two equivalent Co(2), two equivalent Co(3), and six equivalent Co(1) atoms. is represented by the CIF card [CIF]
data_SmCo12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.634
_cell_length_b   6.634
_cell_length_c   6.634
_cell_angle_alpha   95.457
_cell_angle_beta   95.457
_cell_angle_gamma   144.078
_symmetry_Int_Tables_number   1
_cell_volume   162.933
_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  0.000  0.000  0.000  1.0
  Co  Co1  1  0.267  0.500  0.767  1.0
  Co  Co2  1  0.500  0.267  0.767  1.0
  Co  Co3  1  0.733  0.500  0.233  1.0
  Co  Co4  1  0.500  0.733  0.233  1.0
  Co  Co5  1  0.214  0.214  0.429  1.0
  Co  Co6  1  0.786  0.214  0.000  1.0
  Co  Co7  1  0.786  0.786  0.571  1.0
  Co  Co8  1  0.214  0.786  0.000  1.0
  Co  Co9  1  0.373  0.000  0.373  1.0
  Co  Co10  1  0.000  0.373  0.373  1.0
  Co  Co11  1  0.627  0.000  0.627  1.0
  Co  Co12  1  0.000  0.627  0.627  1.0
[/CIF]
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