The crystal structure described by UCo4B crystallizes in the hexagonal P6/mmm space group. There are two inequivalent U sites. In the first U site, U(1) is bonded in a distorted hexagonal planar geometry to six equivalent Co(1) atoms. In the second U site, U(2) is bonded in a 18-coordinate geometry to twelve equivalent Co(2) and six equivalent B(1) atoms. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to three equivalent U(1), three equivalent Co(1), and six equivalent Co(2) atoms to form a mixture of distorted face, corner, and edge-sharing CoU3Co9 cuboctahedra. In the second Co site, Co(2) is bonded in a distorted L-shaped geometry to two equivalent U(2), two equivalent Co(1), and two equivalent B(1) atoms. B(1) is bonded in a 6-coordinate geometry to three equivalent U(2) and six equivalent Co(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_UCo4B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.878
_cell_length_b   4.878
_cell_length_c   6.900
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   142.166
_cell_formula_units_Z   2
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
  U  U0  1  0.000  0.000  0.000  1.0
  U  U1  1  0.000  0.000  0.500  1.0
  Co  Co2  1  0.667  0.333  0.000  1.0
  Co  Co3  1  0.333  0.667  0.000  1.0
  Co  Co4  1  0.500  0.500  0.711  1.0
  Co  Co5  1  0.500  0.000  0.711  1.0
  Co  Co6  1  0.000  0.500  0.711  1.0
  Co  Co7  1  0.500  0.500  0.289  1.0
  Co  Co8  1  0.500  0.000  0.289  1.0
  Co  Co9  1  0.000  0.500  0.289  1.0
  B  B10  1  0.667  0.333  0.500  1.0
  B  B11  1  0.333  0.667  0.500  1.0
[/CIF]
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The crystal structure described by UCo4B crystallizes in the hexagonal P6/mmm space group. There are two inequivalent U sites. In the first U site, U(1) is bonded in a distorted hexagonal planar geometry to six equivalent Co(1) atoms. In the second U site, U(2) is bonded in a 18-coordinate geometry to twelve equivalent Co(2) and six equivalent B(1) atoms. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to three equivalent U(1), three equivalent Co(1), and six equivalent Co(2) atoms to form a mixture of distorted face, corner, and edge-sharing CoU3Co9 cuboctahedra. In the second Co site, Co(2) is bonded in a distorted L-shaped geometry to two equivalent U(2), two equivalent Co(1), and two equivalent B(1) atoms. B(1) is bonded in a 6-coordinate geometry to three equivalent U(2) and six equivalent Co(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_UCo4B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.878
_cell_length_b   4.878
_cell_length_c   6.900
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   142.166
_cell_formula_units_Z   2
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
  U  U0  1  0.000  0.000  0.000  1.0
  U  U1  1  0.000  0.000  0.500  1.0
  Co  Co2  1  0.667  0.333  0.000  1.0
  Co  Co3  1  0.333  0.667  0.000  1.0
  Co  Co4  1  0.500  0.500  0.711  1.0
  Co  Co5  1  0.500  0.000  0.711  1.0
  Co  Co6  1  0.000  0.500  0.711  1.0
  Co  Co7  1  0.500  0.500  0.289  1.0
  Co  Co8  1  0.500  0.000  0.289  1.0
  Co  Co9  1  0.000  0.500  0.289  1.0
  B  B10  1  0.667  0.333  0.500  1.0
  B  B11  1  0.333  0.667  0.500  1.0
[/CIF]
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