The compound described by LuCo4B crystallizes in the orthorhombic Cmmm space group. There are two inequivalent Lu sites. In the first Lu site, Lu(1) is bonded in a 18-coordinate geometry to four equivalent Co(3), six equivalent Co(1), and eight equivalent Co(2) atoms. In the second Lu site, Lu(2) is bonded in a 18-coordinate geometry to four equivalent Co(3), eight equivalent Co(2), and six equivalent B(1) atoms. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded in a 9-coordinate geometry to three equivalent Lu(1), two equivalent Co(3), and four equivalent Co(2) atoms. In the second Co site, Co(2) is bonded in a distorted L-shaped geometry to two equivalent Lu(1), two equivalent Lu(2), two equivalent Co(1), and two equivalent B(1) atoms. In the third Co site, Co(3) is bonded in a distorted L-shaped geometry to two equivalent Lu(1), two equivalent Lu(2), two equivalent Co(1), and two equivalent B(1) atoms. B(1) is bonded in a 6-coordinate geometry to three equivalent Lu(2), two equivalent Co(3), and four equivalent Co(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_LuCo4B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.923
_cell_length_b   5.021
_cell_length_c   6.723
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.662
_symmetry_Int_Tables_number   1
_cell_volume   142.957
_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
  Lu  Lu0  1  0.000  0.000  0.500  1.0
  Lu  Lu1  1  0.000  0.000  0.000  1.0
  Co  Co2  1  0.342  0.671  0.500  1.0
  Co  Co3  1  0.658  0.329  0.500  1.0
  Co  Co4  1  0.500  0.000  0.212  1.0
  Co  Co5  1  0.500  0.000  0.788  1.0
  Co  Co6  1  0.000  0.500  0.218  1.0
  Co  Co7  1  0.000  0.500  0.782  1.0
  Co  Co8  1  0.500  0.500  0.212  1.0
  Co  Co9  1  0.500  0.500  0.788  1.0
  B  B10  1  0.336  0.668  0.000  1.0
  B  B11  1  0.664  0.332  0.000  1.0
[/CIF]
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The compound described by LuCo4B crystallizes in the orthorhombic Cmmm space group. There are two inequivalent Lu sites. In the first Lu site, Lu(1) is bonded in a 18-coordinate geometry to four equivalent Co(3), six equivalent Co(1), and eight equivalent Co(2) atoms. In the second Lu site, Lu(2) is bonded in a 18-coordinate geometry to four equivalent Co(3), eight equivalent Co(2), and six equivalent B(1) atoms. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded in a 9-coordinate geometry to three equivalent Lu(1), two equivalent Co(3), and four equivalent Co(2) atoms. In the second Co site, Co(2) is bonded in a distorted L-shaped geometry to two equivalent Lu(1), two equivalent Lu(2), two equivalent Co(1), and two equivalent B(1) atoms. In the third Co site, Co(3) is bonded in a distorted L-shaped geometry to two equivalent Lu(1), two equivalent Lu(2), two equivalent Co(1), and two equivalent B(1) atoms. B(1) is bonded in a 6-coordinate geometry to three equivalent Lu(2), two equivalent Co(3), and four equivalent Co(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_LuCo4B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.923
_cell_length_b   5.021
_cell_length_c   6.723
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.662
_symmetry_Int_Tables_number   1
_cell_volume   142.957
_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
  Lu  Lu0  1  0.000  0.000  0.500  1.0
  Lu  Lu1  1  0.000  0.000  0.000  1.0
  Co  Co2  1  0.342  0.671  0.500  1.0
  Co  Co3  1  0.658  0.329  0.500  1.0
  Co  Co4  1  0.500  0.000  0.212  1.0
  Co  Co5  1  0.500  0.000  0.788  1.0
  Co  Co6  1  0.000  0.500  0.218  1.0
  Co  Co7  1  0.000  0.500  0.782  1.0
  Co  Co8  1  0.500  0.500  0.212  1.0
  Co  Co9  1  0.500  0.500  0.788  1.0
  B  B10  1  0.336  0.668  0.000  1.0
  B  B11  1  0.664  0.332  0.000  1.0
[/CIF]
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