The compound described by La3Ru8B6 crystallizes in the orthorhombic Fmmm space group. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 20-coordinate geometry to two equivalent La(2), four equivalent Ru(2), eight equivalent Ru(1), and six equivalent B(1) atoms. In the second La site, La(2) is bonded in a 19-coordinate geometry to one La(1), two equivalent Ru(2), four equivalent Ru(1), four equivalent Ru(3), and eight equivalent B(2) atoms. There are three inequivalent Ru sites. In the first Ru site, Ru(1) is bonded in a distorted square co-planar geometry to two equivalent La(1), two equivalent La(2), two equivalent B(1), and two equivalent B(2) atoms. In the second Ru site, Ru(2) is bonded in a distorted square co-planar geometry to two equivalent La(1), two equivalent La(2), two equivalent B(1), and two equivalent B(2) atoms. In the third Ru site, Ru(3) is bonded in a 4-coordinate geometry to four equivalent La(2) and four equivalent B(2) atoms. There are two inequivalent B sites. In the first B site, B(1) is bonded in a 6-coordinate geometry to three equivalent La(1), two equivalent Ru(2), and four equivalent Ru(1) atoms. In the second B site, B(2) is bonded in a 5-coordinate geometry to four equivalent La(2), one Ru(2), two equivalent Ru(1), and two equivalent Ru(3) atoms. is represented by the CIF card [CIF]
data_La3(B3Ru4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.560
_cell_length_b   5.629
_cell_length_c   9.203
_cell_angle_alpha   81.425
_cell_angle_beta   72.418
_cell_angle_gamma   60.421
_symmetry_Int_Tables_number   1
_cell_volume   238.817
_cell_formula_units_Z   1
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
  La  La0  1  0.000  0.000  0.000  1.0
  La  La1  1  0.181  0.000  0.638  1.0
  La  La2  1  0.819  0.000  0.362  1.0
  B  B3  1  0.330  0.339  0.000  1.0
  B  B4  1  0.670  0.661  0.000  1.0
  B  B5  1  0.835  0.672  0.658  1.0
  B  B6  1  0.507  0.328  0.658  1.0
  B  B7  1  0.165  0.328  0.342  1.0
  B  B8  1  0.493  0.672  0.342  1.0
  Ru  Ru9  1  0.086  0.500  0.828  1.0
  Ru  Ru10  1  0.587  0.000  0.827  1.0
  Ru  Ru11  1  0.413  0.000  0.173  1.0
  Ru  Ru12  1  0.750  0.500  0.500  1.0
  Ru  Ru13  1  0.250  0.500  0.500  1.0
  Ru  Ru14  1  0.914  0.500  0.172  1.0
  Ru  Ru15  1  0.414  0.500  0.172  1.0
  Ru  Ru16  1  0.586  0.500  0.828  1.0
[/CIF]
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The compound described by La3Ru8B6 crystallizes in the orthorhombic Fmmm space group. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 20-coordinate geometry to two equivalent La(2), four equivalent Ru(2), eight equivalent Ru(1), and six equivalent B(1) atoms. In the second La site, La(2) is bonded in a 19-coordinate geometry to one La(1), two equivalent Ru(2), four equivalent Ru(1), four equivalent Ru(3), and eight equivalent B(2) atoms. There are three inequivalent Ru sites. In the first Ru site, Ru(1) is bonded in a distorted square co-planar geometry to two equivalent La(1), two equivalent La(2), two equivalent B(1), and two equivalent B(2) atoms. In the second Ru site, Ru(2) is bonded in a distorted square co-planar geometry to two equivalent La(1), two equivalent La(2), two equivalent B(1), and two equivalent B(2) atoms. In the third Ru site, Ru(3) is bonded in a 4-coordinate geometry to four equivalent La(2) and four equivalent B(2) atoms. There are two inequivalent B sites. In the first B site, B(1) is bonded in a 6-coordinate geometry to three equivalent La(1), two equivalent Ru(2), and four equivalent Ru(1) atoms. In the second B site, B(2) is bonded in a 5-coordinate geometry to four equivalent La(2), one Ru(2), two equivalent Ru(1), and two equivalent Ru(3) atoms. is represented by the CIF card [CIF]
data_La3(B3Ru4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.560
_cell_length_b   5.629
_cell_length_c   9.203
_cell_angle_alpha   81.425
_cell_angle_beta   72.418
_cell_angle_gamma   60.421
_symmetry_Int_Tables_number   1
_cell_volume   238.817
_cell_formula_units_Z   1
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
  La  La0  1  0.000  0.000  0.000  1.0
  La  La1  1  0.181  0.000  0.638  1.0
  La  La2  1  0.819  0.000  0.362  1.0
  B  B3  1  0.330  0.339  0.000  1.0
  B  B4  1  0.670  0.661  0.000  1.0
  B  B5  1  0.835  0.672  0.658  1.0
  B  B6  1  0.507  0.328  0.658  1.0
  B  B7  1  0.165  0.328  0.342  1.0
  B  B8  1  0.493  0.672  0.342  1.0
  Ru  Ru9  1  0.086  0.500  0.828  1.0
  Ru  Ru10  1  0.587  0.000  0.827  1.0
  Ru  Ru11  1  0.413  0.000  0.173  1.0
  Ru  Ru12  1  0.750  0.500  0.500  1.0
  Ru  Ru13  1  0.250  0.500  0.500  1.0
  Ru  Ru14  1  0.914  0.500  0.172  1.0
  Ru  Ru15  1  0.414  0.500  0.172  1.0
  Ru  Ru16  1  0.586  0.500  0.828  1.0
[/CIF]
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