The material described by SmCo4Cu crystallizes in the hexagonal P-6m2 space group. Sm(1) is bonded in a 18-coordinate geometry to three equivalent Co(1), twelve equivalent Co(2), and three equivalent Cu(1) atoms. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to three equivalent Sm(1), six equivalent Co(2), and three equivalent Cu(1) atoms to form distorted CoSm3Co6Cu3 cuboctahedra that share corners with nine equivalent Cu(1)Sm3Co9 cuboctahedra, corners with twelve equivalent Co(2)Sm4Co6Cu2 cuboctahedra, edges with six equivalent Co(1)Sm3Co6Cu3 cuboctahedra, faces with two equivalent Co(1)Sm3Co6Cu3 cuboctahedra, faces with three equivalent Cu(1)Sm3Co9 cuboctahedra, and faces with eighteen equivalent Co(2)Sm4Co6Cu2 cuboctahedra. In the second Co site, Co(2) is bonded to four equivalent Sm(1), two equivalent Co(1), four equivalent Co(2), and two equivalent Cu(1) atoms to form CoSm4Co6Cu2 cuboctahedra that share corners with four equivalent Co(1)Sm3Co6Cu3 cuboctahedra, corners with four equivalent Cu(1)Sm3Co9 cuboctahedra, corners with sixteen equivalent Co(2)Sm4Co6Cu2 cuboctahedra, edges with ten equivalent Co(2)Sm4Co6Cu2 cuboctahedra, faces with six equivalent Co(1)Sm3Co6Cu3 cuboctahedra, faces with six equivalent Cu(1)Sm3Co9 cuboctahedra, and faces with ten equivalent Co(2)Sm4Co6Cu2 cuboctahedra. Cu(1) is bonded to three equivalent Sm(1), three equivalent Co(1), and six equivalent Co(2) atoms to form distorted CuSm3Co9 cuboctahedra that share corners with nine equivalent Co(1)Sm3Co6Cu3 cuboctahedra, corners with twelve equivalent Co(2)Sm4Co6Cu2 cuboctahedra, edges with six equivalent Cu(1)Sm3Co9 cuboctahedra, faces with two equivalent Cu(1)Sm3Co9 cuboctahedra, faces with three equivalent Co(1)Sm3Co6Cu3 cuboctahedra, and faces with eighteen equivalent Co(2)Sm4Co6Cu2 cuboctahedra. is represented by the CIF file [CIF]
data_SmCo4Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.978
_cell_length_b   4.978
_cell_length_c   3.972
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   85.230
_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  0.667  0.333  0.000  1.0
  Co  Co1  1  0.333  0.667  0.000  1.0
  Co  Co2  1  0.664  0.832  0.500  1.0
  Co  Co3  1  0.168  0.832  0.500  1.0
  Co  Co4  1  0.168  0.336  0.500  1.0
  Cu  Cu5  1  0.000  0.000  0.000  1.0
[/CIF]
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The material described by SmCo4Cu crystallizes in the hexagonal P-6m2 space group. Sm(1) is bonded in a 18-coordinate geometry to three equivalent Co(1), twelve equivalent Co(2), and three equivalent Cu(1) atoms. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to three equivalent Sm(1), six equivalent Co(2), and three equivalent Cu(1) atoms to form distorted CoSm3Co6Cu3 cuboctahedra that share corners with nine equivalent Cu(1)Sm3Co9 cuboctahedra, corners with twelve equivalent Co(2)Sm4Co6Cu2 cuboctahedra, edges with six equivalent Co(1)Sm3Co6Cu3 cuboctahedra, faces with two equivalent Co(1)Sm3Co6Cu3 cuboctahedra, faces with three equivalent Cu(1)Sm3Co9 cuboctahedra, and faces with eighteen equivalent Co(2)Sm4Co6Cu2 cuboctahedra. In the second Co site, Co(2) is bonded to four equivalent Sm(1), two equivalent Co(1), four equivalent Co(2), and two equivalent Cu(1) atoms to form CoSm4Co6Cu2 cuboctahedra that share corners with four equivalent Co(1)Sm3Co6Cu3 cuboctahedra, corners with four equivalent Cu(1)Sm3Co9 cuboctahedra, corners with sixteen equivalent Co(2)Sm4Co6Cu2 cuboctahedra, edges with ten equivalent Co(2)Sm4Co6Cu2 cuboctahedra, faces with six equivalent Co(1)Sm3Co6Cu3 cuboctahedra, faces with six equivalent Cu(1)Sm3Co9 cuboctahedra, and faces with ten equivalent Co(2)Sm4Co6Cu2 cuboctahedra. Cu(1) is bonded to three equivalent Sm(1), three equivalent Co(1), and six equivalent Co(2) atoms to form distorted CuSm3Co9 cuboctahedra that share corners with nine equivalent Co(1)Sm3Co6Cu3 cuboctahedra, corners with twelve equivalent Co(2)Sm4Co6Cu2 cuboctahedra, edges with six equivalent Cu(1)Sm3Co9 cuboctahedra, faces with two equivalent Cu(1)Sm3Co9 cuboctahedra, faces with three equivalent Co(1)Sm3Co6Cu3 cuboctahedra, and faces with eighteen equivalent Co(2)Sm4Co6Cu2 cuboctahedra. is represented by the CIF file [CIF]
data_SmCo4Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.978
_cell_length_b   4.978
_cell_length_c   3.972
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   85.230
_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  0.667  0.333  0.000  1.0
  Co  Co1  1  0.333  0.667  0.000  1.0
  Co  Co2  1  0.664  0.832  0.500  1.0
  Co  Co3  1  0.168  0.832  0.500  1.0
  Co  Co4  1  0.168  0.336  0.500  1.0
  Cu  Cu5  1  0.000  0.000  0.000  1.0
[/CIF]
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