The material structure described by SmCo3 crystallizes in the trigonal R-3m space group. There are two inequivalent Sm sites. In the first Sm site, Sm(1) is bonded in a 12-coordinate geometry to three equivalent Co(3) and nine equivalent Co(1) atoms. In the second Sm site, Sm(2) is bonded in a 18-coordinate geometry to six equivalent Co(2) and twelve equivalent Co(1) atoms. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent Sm(2), three equivalent Sm(1), one Co(3), two equivalent Co(2), and four equivalent Co(1) atoms to form CoSm5Co7 cuboctahedra that share corners with two equivalent Co(3)Sm6Co6 cuboctahedra, corners with fifteen equivalent Co(1)Sm5Co7 cuboctahedra, edges with eight equivalent Co(1)Sm5Co7 cuboctahedra, faces with three equivalent Co(3)Sm6Co6 cuboctahedra, and faces with eleven equivalent Co(1)Sm5Co7 cuboctahedra. In the second Co site, Co(2) is bonded in a 9-coordinate geometry to three equivalent Sm(2) and six equivalent Co(1) atoms. In the third Co site, Co(3) is bonded to six equivalent Sm(1) and six equivalent Co(1) atoms to form CoSm6Co6 cuboctahedra that share corners with twelve equivalent Co(1)Sm5Co7 cuboctahedra, edges with six equivalent Co(3)Sm6Co6 cuboctahedra, and faces with eighteen equivalent Co(1)Sm5Co7 cuboctahedra. is represented by the CIF file [CIF]
data_SmCo3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.036
_cell_length_b   5.036
_cell_length_c   8.746
_cell_angle_alpha   73.268
_cell_angle_beta   73.268
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   181.167
_cell_formula_units_Z   3
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  0.860  0.860  0.419  1.0
  Sm  Sm1  1  0.140  0.140  0.581  1.0
  Sm  Sm2  1  0.000  0.000  0.000  1.0
  Co  Co3  1  0.420  0.420  0.240  1.0
  Co  Co4  1  0.920  0.420  0.240  1.0
  Co  Co5  1  0.420  0.920  0.240  1.0
  Co  Co6  1  0.580  0.580  0.760  1.0
  Co  Co7  1  0.080  0.580  0.760  1.0
  Co  Co8  1  0.580  0.080  0.760  1.0
  Co  Co9  1  0.665  0.665  0.004  1.0
  Co  Co10  1  0.335  0.335  0.996  1.0
  Co  Co11  1  0.500  0.500  0.500  1.0
[/CIF]
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The material structure described by SmCo3 crystallizes in the trigonal R-3m space group. There are two inequivalent Sm sites. In the first Sm site, Sm(1) is bonded in a 12-coordinate geometry to three equivalent Co(3) and nine equivalent Co(1) atoms. In the second Sm site, Sm(2) is bonded in a 18-coordinate geometry to six equivalent Co(2) and twelve equivalent Co(1) atoms. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent Sm(2), three equivalent Sm(1), one Co(3), two equivalent Co(2), and four equivalent Co(1) atoms to form CoSm5Co7 cuboctahedra that share corners with two equivalent Co(3)Sm6Co6 cuboctahedra, corners with fifteen equivalent Co(1)Sm5Co7 cuboctahedra, edges with eight equivalent Co(1)Sm5Co7 cuboctahedra, faces with three equivalent Co(3)Sm6Co6 cuboctahedra, and faces with eleven equivalent Co(1)Sm5Co7 cuboctahedra. In the second Co site, Co(2) is bonded in a 9-coordinate geometry to three equivalent Sm(2) and six equivalent Co(1) atoms. In the third Co site, Co(3) is bonded to six equivalent Sm(1) and six equivalent Co(1) atoms to form CoSm6Co6 cuboctahedra that share corners with twelve equivalent Co(1)Sm5Co7 cuboctahedra, edges with six equivalent Co(3)Sm6Co6 cuboctahedra, and faces with eighteen equivalent Co(1)Sm5Co7 cuboctahedra. is represented by the CIF file [CIF]
data_SmCo3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.036
_cell_length_b   5.036
_cell_length_c   8.746
_cell_angle_alpha   73.268
_cell_angle_beta   73.268
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   181.167
_cell_formula_units_Z   3
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  0.860  0.860  0.419  1.0
  Sm  Sm1  1  0.140  0.140  0.581  1.0
  Sm  Sm2  1  0.000  0.000  0.000  1.0
  Co  Co3  1  0.420  0.420  0.240  1.0
  Co  Co4  1  0.920  0.420  0.240  1.0
  Co  Co5  1  0.420  0.920  0.240  1.0
  Co  Co6  1  0.580  0.580  0.760  1.0
  Co  Co7  1  0.080  0.580  0.760  1.0
  Co  Co8  1  0.580  0.080  0.760  1.0
  Co  Co9  1  0.665  0.665  0.004  1.0
  Co  Co10  1  0.335  0.335  0.996  1.0
  Co  Co11  1  0.500  0.500  0.500  1.0
[/CIF]
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