The crystal structure described by LuCo3 crystallizes in the trigonal R-3m space group. There are two inequivalent Lu sites. In the first Lu site, Lu(1) is bonded in a 12-coordinate geometry to three equivalent Co(3) and nine equivalent Co(1) atoms. In the second Lu site, Lu(2) is bonded in a distorted hexagonal planar 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 Lu(2), three equivalent Lu(1), one Co(3), two equivalent Co(2), and four equivalent Co(1) atoms to form distorted CoLu5Co7 cuboctahedra that share corners with two equivalent Co(3)Lu6Co6 cuboctahedra, corners with fifteen equivalent Co(1)Lu5Co7 cuboctahedra, edges with eight equivalent Co(1)Lu5Co7 cuboctahedra, faces with three equivalent Co(3)Lu6Co6 cuboctahedra, and faces with eleven equivalent Co(1)Lu5Co7 cuboctahedra. In the second Co site, Co(2) is bonded in a 9-coordinate geometry to three equivalent Lu(2) and six equivalent Co(1) atoms. In the third Co site, Co(3) is bonded to six equivalent Lu(1) and six equivalent Co(1) atoms to form CoLu6Co6 cuboctahedra that share corners with twelve equivalent Co(1)Lu5Co7 cuboctahedra, edges with six equivalent Co(3)Lu6Co6 cuboctahedra, and faces with eighteen equivalent Co(1)Lu5Co7 cuboctahedra. is represented by the CIF card [CIF]
data_LuCo3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.920
_cell_length_b   4.920
_cell_length_c   8.542
_cell_angle_alpha   73.260
_cell_angle_beta   73.260
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   168.898
_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
  Lu  Lu0  1  0.860  0.860  0.419  1.0
  Lu  Lu1  1  0.140  0.140  0.581  1.0
  Lu  Lu2  1  0.000  0.000  0.000  1.0
  Co  Co3  1  0.417  0.417  0.246  1.0
  Co  Co4  1  0.921  0.417  0.246  1.0
  Co  Co5  1  0.417  0.921  0.246  1.0
  Co  Co6  1  0.583  0.583  0.754  1.0
  Co  Co7  1  0.079  0.583  0.754  1.0
  Co  Co8  1  0.583  0.079  0.754  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 crystal structure described by LuCo3 crystallizes in the trigonal R-3m space group. There are two inequivalent Lu sites. In the first Lu site, Lu(1) is bonded in a 12-coordinate geometry to three equivalent Co(3) and nine equivalent Co(1) atoms. In the second Lu site, Lu(2) is bonded in a distorted hexagonal planar 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 Lu(2), three equivalent Lu(1), one Co(3), two equivalent Co(2), and four equivalent Co(1) atoms to form distorted CoLu5Co7 cuboctahedra that share corners with two equivalent Co(3)Lu6Co6 cuboctahedra, corners with fifteen equivalent Co(1)Lu5Co7 cuboctahedra, edges with eight equivalent Co(1)Lu5Co7 cuboctahedra, faces with three equivalent Co(3)Lu6Co6 cuboctahedra, and faces with eleven equivalent Co(1)Lu5Co7 cuboctahedra. In the second Co site, Co(2) is bonded in a 9-coordinate geometry to three equivalent Lu(2) and six equivalent Co(1) atoms. In the third Co site, Co(3) is bonded to six equivalent Lu(1) and six equivalent Co(1) atoms to form CoLu6Co6 cuboctahedra that share corners with twelve equivalent Co(1)Lu5Co7 cuboctahedra, edges with six equivalent Co(3)Lu6Co6 cuboctahedra, and faces with eighteen equivalent Co(1)Lu5Co7 cuboctahedra. is represented by the CIF card [CIF]
data_LuCo3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.920
_cell_length_b   4.920
_cell_length_c   8.542
_cell_angle_alpha   73.260
_cell_angle_beta   73.260
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   168.898
_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
  Lu  Lu0  1  0.860  0.860  0.419  1.0
  Lu  Lu1  1  0.140  0.140  0.581  1.0
  Lu  Lu2  1  0.000  0.000  0.000  1.0
  Co  Co3  1  0.417  0.417  0.246  1.0
  Co  Co4  1  0.921  0.417  0.246  1.0
  Co  Co5  1  0.417  0.921  0.246  1.0
  Co  Co6  1  0.583  0.583  0.754  1.0
  Co  Co7  1  0.079  0.583  0.754  1.0
  Co  Co8  1  0.583  0.079  0.754  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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