The structure described by LuFeB4 crystallizes in the orthorhombic Pbam space group. Lu(1) is bonded in a 14-coordinate geometry to two equivalent B(3), four equivalent B(1), four equivalent B(2), and four equivalent B(4) atoms. Fe(1) is bonded in a 10-coordinate geometry to two equivalent B(1), two equivalent B(2), two equivalent B(4), and four equivalent B(3) atoms. There are four inequivalent B sites. In the first B site, B(1) is bonded in a 9-coordinate geometry to four equivalent Lu(1), two equivalent Fe(1), one B(2), and two equivalent B(4) atoms. In the second B site, B(2) is bonded in a 9-coordinate geometry to four equivalent Lu(1), two equivalent Fe(1), one B(1), one B(2), and one B(3) atom. In the third B site, B(3) is bonded in a 9-coordinate geometry to two equivalent Lu(1), four equivalent Fe(1), one B(2), one B(3), and one B(4) atom. In the fourth B site, B(4) is bonded in a 9-coordinate geometry to four equivalent Lu(1), two equivalent Fe(1), one B(3), and two equivalent B(1) atoms. is represented by the CIF file [CIF]
data_LuFeB4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.322
_cell_length_b   5.828
_cell_length_c   11.277
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   218.364
_cell_formula_units_Z   4
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  0.628  0.350  1.0
  Lu  Lu1  1  0.000  0.372  0.650  1.0
  Lu  Lu2  1  0.000  0.128  0.150  1.0
  Lu  Lu3  1  0.000  0.872  0.850  1.0
  Fe  Fe4  1  0.000  0.635  0.089  1.0
  Fe  Fe5  1  0.000  0.365  0.911  1.0
  Fe  Fe6  1  0.000  0.135  0.411  1.0
  Fe  Fe7  1  0.000  0.865  0.589  1.0
  B  B8  1  0.500  0.785  0.185  1.0
  B  B9  1  0.500  0.215  0.815  1.0
  B  B10  1  0.500  0.285  0.315  1.0
  B  B11  1  0.500  0.715  0.685  1.0
  B  B12  1  0.500  0.863  0.032  1.0
  B  B13  1  0.500  0.137  0.968  1.0
  B  B14  1  0.500  0.363  0.468  1.0
  B  B15  1  0.500  0.637  0.532  1.0
  B  B16  1  0.500  0.888  0.454  1.0
  B  B17  1  0.500  0.112  0.546  1.0
  B  B18  1  0.500  0.388  0.046  1.0
  B  B19  1  0.500  0.612  0.954  1.0
  B  B20  1  0.500  0.977  0.309  1.0
  B  B21  1  0.500  0.023  0.691  1.0
  B  B22  1  0.500  0.477  0.191  1.0
  B  B23  1  0.500  0.523  0.809  1.0
[/CIF]
.
The structure described by LuFeB4 crystallizes in the orthorhombic Pbam space group. Lu(1) is bonded in a 14-coordinate geometry to two equivalent B(3), four equivalent B(1), four equivalent B(2), and four equivalent B(4) atoms. Fe(1) is bonded in a 10-coordinate geometry to two equivalent B(1), two equivalent B(2), two equivalent B(4), and four equivalent B(3) atoms. There are four inequivalent B sites. In the first B site, B(1) is bonded in a 9-coordinate geometry to four equivalent Lu(1), two equivalent Fe(1), one B(2), and two equivalent B(4) atoms. In the second B site, B(2) is bonded in a 9-coordinate geometry to four equivalent Lu(1), two equivalent Fe(1), one B(1), one B(2), and one B(3) atom. In the third B site, B(3) is bonded in a 9-coordinate geometry to two equivalent Lu(1), four equivalent Fe(1), one B(2), one B(3), and one B(4) atom. In the fourth B site, B(4) is bonded in a 9-coordinate geometry to four equivalent Lu(1), two equivalent Fe(1), one B(3), and two equivalent B(1) atoms. is represented by the CIF file [CIF]
data_LuFeB4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.322
_cell_length_b   5.828
_cell_length_c   11.277
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   218.364
_cell_formula_units_Z   4
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  0.628  0.350  1.0
  Lu  Lu1  1  0.000  0.372  0.650  1.0
  Lu  Lu2  1  0.000  0.128  0.150  1.0
  Lu  Lu3  1  0.000  0.872  0.850  1.0
  Fe  Fe4  1  0.000  0.635  0.089  1.0
  Fe  Fe5  1  0.000  0.365  0.911  1.0
  Fe  Fe6  1  0.000  0.135  0.411  1.0
  Fe  Fe7  1  0.000  0.865  0.589  1.0
  B  B8  1  0.500  0.785  0.185  1.0
  B  B9  1  0.500  0.215  0.815  1.0
  B  B10  1  0.500  0.285  0.315  1.0
  B  B11  1  0.500  0.715  0.685  1.0
  B  B12  1  0.500  0.863  0.032  1.0
  B  B13  1  0.500  0.137  0.968  1.0
  B  B14  1  0.500  0.363  0.468  1.0
  B  B15  1  0.500  0.637  0.532  1.0
  B  B16  1  0.500  0.888  0.454  1.0
  B  B17  1  0.500  0.112  0.546  1.0
  B  B18  1  0.500  0.388  0.046  1.0
  B  B19  1  0.500  0.612  0.954  1.0
  B  B20  1  0.500  0.977  0.309  1.0
  B  B21  1  0.500  0.023  0.691  1.0
  B  B22  1  0.500  0.477  0.191  1.0
  B  B23  1  0.500  0.523  0.809  1.0
[/CIF]
.