The crystal structure described by LuEr(RuB2)2 is delta Molybdenum Boride-derived structured and crystallizes in the orthorhombic Pmc2_1 space group. Lu(1) is bonded in a 9-coordinate geometry to one Ru(2), four equivalent B(1), and four equivalent B(2) atoms. Er(1) is bonded in a 9-coordinate geometry to one Ru(1), four equivalent B(1), and four equivalent B(2) atoms. There are two inequivalent Ru sites. In the first Ru site, Ru(1) is bonded in a 7-coordinate geometry to one Er(1), two equivalent B(2), and four equivalent B(1) atoms. In the second Ru site, Ru(2) is bonded in a 7-coordinate geometry to one Lu(1), two equivalent B(1), and four equivalent B(2) atoms. There are two inequivalent B sites. In the first B site, B(1) is bonded in a 9-coordinate geometry to two equivalent Lu(1), two equivalent Er(1), one Ru(2), two equivalent Ru(1), one B(1), and one B(2) atom. In the second B site, B(2) is bonded in a 9-coordinate geometry to two equivalent Lu(1), two equivalent Er(1), one Ru(1), two equivalent Ru(2), one B(1), and one B(2) atom. is represented by the CIF file [CIF]
data_ErLu(B2Ru)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.281
_cell_length_b   5.867
_cell_length_c   6.310
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   195.524
_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
  Er  Er0  1  0.500  0.490  0.586  1.0
  Er  Er1  1  0.500  0.990  0.414  1.0
  Lu  Lu2  1  0.000  0.511  0.915  1.0
  Lu  Lu3  1  0.000  0.011  0.085  1.0
  B  B4  1  0.668  0.133  0.789  1.0
  B  B5  1  0.332  0.633  0.211  1.0
  B  B6  1  0.165  0.866  0.715  1.0
  B  B7  1  0.835  0.366  0.285  1.0
  B  B8  1  0.835  0.866  0.715  1.0
  B  B9  1  0.165  0.366  0.285  1.0
  B  B10  1  0.332  0.133  0.789  1.0
  B  B11  1  0.668  0.633  0.211  1.0
  Ru  Ru12  1  0.500  0.320  0.068  1.0
  Ru  Ru13  1  0.500  0.820  0.932  1.0
  Ru  Ru14  1  0.000  0.681  0.431  1.0
  Ru  Ru15  1  0.000  0.181  0.569  1.0
[/CIF]
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The crystal structure described by LuEr(RuB2)2 is delta Molybdenum Boride-derived structured and crystallizes in the orthorhombic Pmc2_1 space group. Lu(1) is bonded in a 9-coordinate geometry to one Ru(2), four equivalent B(1), and four equivalent B(2) atoms. Er(1) is bonded in a 9-coordinate geometry to one Ru(1), four equivalent B(1), and four equivalent B(2) atoms. There are two inequivalent Ru sites. In the first Ru site, Ru(1) is bonded in a 7-coordinate geometry to one Er(1), two equivalent B(2), and four equivalent B(1) atoms. In the second Ru site, Ru(2) is bonded in a 7-coordinate geometry to one Lu(1), two equivalent B(1), and four equivalent B(2) atoms. There are two inequivalent B sites. In the first B site, B(1) is bonded in a 9-coordinate geometry to two equivalent Lu(1), two equivalent Er(1), one Ru(2), two equivalent Ru(1), one B(1), and one B(2) atom. In the second B site, B(2) is bonded in a 9-coordinate geometry to two equivalent Lu(1), two equivalent Er(1), one Ru(1), two equivalent Ru(2), one B(1), and one B(2) atom. is represented by the CIF file [CIF]
data_ErLu(B2Ru)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.281
_cell_length_b   5.867
_cell_length_c   6.310
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   195.524
_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
  Er  Er0  1  0.500  0.490  0.586  1.0
  Er  Er1  1  0.500  0.990  0.414  1.0
  Lu  Lu2  1  0.000  0.511  0.915  1.0
  Lu  Lu3  1  0.000  0.011  0.085  1.0
  B  B4  1  0.668  0.133  0.789  1.0
  B  B5  1  0.332  0.633  0.211  1.0
  B  B6  1  0.165  0.866  0.715  1.0
  B  B7  1  0.835  0.366  0.285  1.0
  B  B8  1  0.835  0.866  0.715  1.0
  B  B9  1  0.165  0.366  0.285  1.0
  B  B10  1  0.332  0.133  0.789  1.0
  B  B11  1  0.668  0.633  0.211  1.0
  Ru  Ru12  1  0.500  0.320  0.068  1.0
  Ru  Ru13  1  0.500  0.820  0.932  1.0
  Ru  Ru14  1  0.000  0.681  0.431  1.0
  Ru  Ru15  1  0.000  0.181  0.569  1.0
[/CIF]
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