The material described by LuB2C crystallizes in the orthorhombic Pbam space group. Lu(1) is bonded in a 14-coordinate geometry to four equivalent B(2), six equivalent B(1), and four equivalent C(1) atoms. There are two inequivalent B sites. In the first B site, B(2) is bonded in a distorted water-like geometry to four equivalent Lu(1) and two equivalent C(1) atoms. In the second B site, B(1) is bonded in a distorted single-bond geometry to six equivalent Lu(1) and one C(1) atom. C(1) is bonded in a 3-coordinate geometry to four equivalent Lu(1), one B(1), and two equivalent B(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_LuB2C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.577
_cell_length_b   6.655
_cell_length_c   6.773
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   161.229
_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  0.500  0.811  0.194  1.0
  Lu  Lu1  1  0.500  0.189  0.806  1.0
  Lu  Lu2  1  0.500  0.311  0.306  1.0
  Lu  Lu3  1  0.500  0.689  0.694  1.0
  B  B4  1  0.000  0.597  0.407  1.0
  B  B5  1  0.000  0.403  0.593  1.0
  B  B6  1  0.000  0.097  0.093  1.0
  B  B7  1  0.000  0.903  0.907  1.0
  B  B8  1  0.000  0.847  0.468  1.0
  B  B9  1  0.000  0.153  0.532  1.0
  B  B10  1  0.000  0.347  0.032  1.0
  B  B11  1  0.000  0.653  0.968  1.0
  C  C12  1  0.000  0.541  0.178  1.0
  C  C13  1  0.000  0.459  0.822  1.0
  C  C14  1  0.000  0.041  0.322  1.0
  C  C15  1  0.000  0.959  0.678  1.0
[/CIF]
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The material described by LuB2C crystallizes in the orthorhombic Pbam space group. Lu(1) is bonded in a 14-coordinate geometry to four equivalent B(2), six equivalent B(1), and four equivalent C(1) atoms. There are two inequivalent B sites. In the first B site, B(2) is bonded in a distorted water-like geometry to four equivalent Lu(1) and two equivalent C(1) atoms. In the second B site, B(1) is bonded in a distorted single-bond geometry to six equivalent Lu(1) and one C(1) atom. C(1) is bonded in a 3-coordinate geometry to four equivalent Lu(1), one B(1), and two equivalent B(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_LuB2C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.577
_cell_length_b   6.655
_cell_length_c   6.773
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   161.229
_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  0.500  0.811  0.194  1.0
  Lu  Lu1  1  0.500  0.189  0.806  1.0
  Lu  Lu2  1  0.500  0.311  0.306  1.0
  Lu  Lu3  1  0.500  0.689  0.694  1.0
  B  B4  1  0.000  0.597  0.407  1.0
  B  B5  1  0.000  0.403  0.593  1.0
  B  B6  1  0.000  0.097  0.093  1.0
  B  B7  1  0.000  0.903  0.907  1.0
  B  B8  1  0.000  0.847  0.468  1.0
  B  B9  1  0.000  0.153  0.532  1.0
  B  B10  1  0.000  0.347  0.032  1.0
  B  B11  1  0.000  0.653  0.968  1.0
  C  C12  1  0.000  0.541  0.178  1.0
  C  C13  1  0.000  0.459  0.822  1.0
  C  C14  1  0.000  0.041  0.322  1.0
  C  C15  1  0.000  0.959  0.678  1.0
[/CIF]
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