The crystal structure described by LaCo4B crystallizes in the hexagonal P6/mmm space group. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 18-coordinate geometry to twelve equivalent Co(2) and six equivalent B(1) atoms. In the second La site, La(2) is bonded in a 18-coordinate geometry to six equivalent Co(1) and twelve equivalent Co(2) atoms. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a 9-coordinate geometry to three equivalent La(2) and six equivalent Co(2) atoms. In the second Co site, Co(2) is bonded in a distorted L-shaped geometry to two equivalent La(1), two equivalent La(2), two equivalent Co(1), and two equivalent B(1) atoms. B(1) is bonded in a 6-coordinate geometry to three equivalent La(1) and six equivalent Co(2) atoms. is represented by the CIF card [CIF]
data_LaCo4B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.123
_cell_length_b   5.123
_cell_length_c   6.834
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   155.299
_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
  La  La0  1  0.000  0.000  0.000  1.0
  La  La1  1  0.000  0.000  0.500  1.0
  Co  Co2  1  0.667  0.333  0.500  1.0
  Co  Co3  1  0.333  0.667  0.500  1.0
  Co  Co4  1  0.500  0.500  0.790  1.0
  Co  Co5  1  0.500  0.000  0.790  1.0
  Co  Co6  1  0.000  0.500  0.790  1.0
  Co  Co7  1  0.500  0.500  0.210  1.0
  Co  Co8  1  0.500  0.000  0.210  1.0
  Co  Co9  1  0.000  0.500  0.210  1.0
  B  B10  1  0.667  0.333  0.000  1.0
  B  B11  1  0.333  0.667  0.000  1.0
[/CIF]
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The crystal structure described by LaCo4B crystallizes in the hexagonal P6/mmm space group. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 18-coordinate geometry to twelve equivalent Co(2) and six equivalent B(1) atoms. In the second La site, La(2) is bonded in a 18-coordinate geometry to six equivalent Co(1) and twelve equivalent Co(2) atoms. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a 9-coordinate geometry to three equivalent La(2) and six equivalent Co(2) atoms. In the second Co site, Co(2) is bonded in a distorted L-shaped geometry to two equivalent La(1), two equivalent La(2), two equivalent Co(1), and two equivalent B(1) atoms. B(1) is bonded in a 6-coordinate geometry to three equivalent La(1) and six equivalent Co(2) atoms. is represented by the CIF card [CIF]
data_LaCo4B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.123
_cell_length_b   5.123
_cell_length_c   6.834
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   155.299
_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
  La  La0  1  0.000  0.000  0.000  1.0
  La  La1  1  0.000  0.000  0.500  1.0
  Co  Co2  1  0.667  0.333  0.500  1.0
  Co  Co3  1  0.333  0.667  0.500  1.0
  Co  Co4  1  0.500  0.500  0.790  1.0
  Co  Co5  1  0.500  0.000  0.790  1.0
  Co  Co6  1  0.000  0.500  0.790  1.0
  Co  Co7  1  0.500  0.500  0.210  1.0
  Co  Co8  1  0.500  0.000  0.210  1.0
  Co  Co9  1  0.000  0.500  0.210  1.0
  B  B10  1  0.667  0.333  0.000  1.0
  B  B11  1  0.333  0.667  0.000  1.0
[/CIF]
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