The material described by LuFe2Co2B crystallizes in the orthorhombic Cmm2 space group. There are two inequivalent Lu sites. In the first Lu site, Lu(1) is bonded in a 6-coordinate geometry to six equivalent Fe(2) atoms. In the second Lu site, Lu(2) is bonded in a 18-coordinate geometry to four equivalent Fe(1), two equivalent Co(1), two equivalent Co(3), four equivalent Co(2), and six equivalent B(1) atoms. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a distorted L-shaped geometry to two equivalent Lu(2), two equivalent Fe(2), and two equivalent B(1) atoms. In the second Fe site, Fe(2) is bonded in a 9-coordinate geometry to three equivalent Lu(1), two equivalent Fe(1), one Co(1), one Co(3), and two equivalent Co(2) atoms. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded in a 2-coordinate geometry to two equivalent Lu(2), two equivalent Fe(2), and two equivalent B(1) atoms. In the second Co site, Co(2) is bonded in a 2-coordinate geometry to two equivalent Lu(2), two equivalent Fe(2), and two equivalent B(1) atoms. In the third Co site, Co(3) is bonded in a 2-coordinate geometry to two equivalent Lu(2), two equivalent Fe(2), and two equivalent B(1) atoms. B(1) is bonded in a 6-coordinate geometry to three equivalent Lu(2), two equivalent Fe(1), one Co(1), one Co(3), and two equivalent Co(2) atoms. is represented by the CIF card [CIF]
data_LuFe2Co2B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.015
_cell_length_b   5.015
_cell_length_c   6.843
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.206
_symmetry_Int_Tables_number   1
_cell_volume   148.709
_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  0.997  1.0
  Lu  Lu1  1  0.000  0.000  0.506  1.0
  Fe  Fe2  1  0.500  0.000  0.286  1.0
  Fe  Fe3  1  0.000  0.500  0.286  1.0
  Fe  Fe4  1  0.668  0.332  0.997  1.0
  Fe  Fe5  1  0.332  0.668  0.997  1.0
  Co  Co6  1  0.500  0.500  0.714  1.0
  Co  Co7  1  0.500  0.000  0.712  1.0
  Co  Co8  1  0.000  0.500  0.712  1.0
  Co  Co9  1  0.500  0.500  0.287  1.0
  B  B10  1  0.665  0.335  0.503  1.0
  B  B11  1  0.335  0.665  0.503  1.0
[/CIF]
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The material described by LuFe2Co2B crystallizes in the orthorhombic Cmm2 space group. There are two inequivalent Lu sites. In the first Lu site, Lu(1) is bonded in a 6-coordinate geometry to six equivalent Fe(2) atoms. In the second Lu site, Lu(2) is bonded in a 18-coordinate geometry to four equivalent Fe(1), two equivalent Co(1), two equivalent Co(3), four equivalent Co(2), and six equivalent B(1) atoms. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a distorted L-shaped geometry to two equivalent Lu(2), two equivalent Fe(2), and two equivalent B(1) atoms. In the second Fe site, Fe(2) is bonded in a 9-coordinate geometry to three equivalent Lu(1), two equivalent Fe(1), one Co(1), one Co(3), and two equivalent Co(2) atoms. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded in a 2-coordinate geometry to two equivalent Lu(2), two equivalent Fe(2), and two equivalent B(1) atoms. In the second Co site, Co(2) is bonded in a 2-coordinate geometry to two equivalent Lu(2), two equivalent Fe(2), and two equivalent B(1) atoms. In the third Co site, Co(3) is bonded in a 2-coordinate geometry to two equivalent Lu(2), two equivalent Fe(2), and two equivalent B(1) atoms. B(1) is bonded in a 6-coordinate geometry to three equivalent Lu(2), two equivalent Fe(1), one Co(1), one Co(3), and two equivalent Co(2) atoms. is represented by the CIF card [CIF]
data_LuFe2Co2B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.015
_cell_length_b   5.015
_cell_length_c   6.843
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.206
_symmetry_Int_Tables_number   1
_cell_volume   148.709
_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  0.997  1.0
  Lu  Lu1  1  0.000  0.000  0.506  1.0
  Fe  Fe2  1  0.500  0.000  0.286  1.0
  Fe  Fe3  1  0.000  0.500  0.286  1.0
  Fe  Fe4  1  0.668  0.332  0.997  1.0
  Fe  Fe5  1  0.332  0.668  0.997  1.0
  Co  Co6  1  0.500  0.500  0.714  1.0
  Co  Co7  1  0.500  0.000  0.712  1.0
  Co  Co8  1  0.000  0.500  0.712  1.0
  Co  Co9  1  0.500  0.500  0.287  1.0
  B  B10  1  0.665  0.335  0.503  1.0
  B  B11  1  0.335  0.665  0.503  1.0
[/CIF]
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