The compound described by Li3(RuO3)2 crystallizes in the monoclinic C2/c space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a distorted body-centered cubic geometry to two equivalent O(1), two equivalent O(2), and four equivalent O(3) atoms. In the second Li site, Li(2) is bonded in a body-centered cubic geometry to two equivalent O(1), two equivalent O(3), and four equivalent O(2) atoms. In the third Li site, Li(3) is bonded in a body-centered cubic geometry to two equivalent O(1), two equivalent O(3), and four equivalent O(2) atoms. Ru(1) is bonded in a distorted body-centered cubic geometry to two equivalent O(2), three equivalent O(1), and three equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to one Li(1), one Li(2), one Li(3), and three equivalent Ru(1) atoms. In the second O site, O(2) is bonded in a 7-coordinate geometry to one Li(1), two equivalent Li(2), two equivalent Li(3), and two equivalent Ru(1) atoms. In the third O site, O(3) is bonded in a 7-coordinate geometry to one Li(2), one Li(3), two equivalent Li(1), and three equivalent Ru(1) atoms. is represented by the CIF file [CIF]
data_Li3(RuO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.157
_cell_length_b   6.157
_cell_length_c   6.129
_cell_angle_alpha   79.963
_cell_angle_beta   79.963
_cell_angle_gamma   119.856
_symmetry_Int_Tables_number   1
_cell_volume   188.940
_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
  Li  Li0  1  0.605  0.395  0.250  1.0
  Li  Li1  1  0.747  0.253  0.750  1.0
  Li  Li2  1  0.500  0.000  0.500  1.0
  Li  Li3  1  0.253  0.747  0.250  1.0
  Li  Li4  1  0.395  0.605  0.750  1.0
  Li  Li5  1  0.000  0.500  0.000  1.0
  Ru  Ru6  1  0.842  0.676  0.501  1.0
  Ru  Ru7  1  0.676  0.842  0.001  1.0
  Ru  Ru8  1  0.324  0.158  0.999  1.0
  Ru  Ru9  1  0.158  0.324  0.499  1.0
  O  O10  1  0.959  0.803  0.131  1.0
  O  O11  1  0.881  0.390  0.385  1.0
  O  O12  1  0.694  0.542  0.870  1.0
  O  O13  1  0.610  0.119  0.115  1.0
  O  O14  1  0.803  0.959  0.631  1.0
  O  O15  1  0.458  0.306  0.630  1.0
  O  O16  1  0.542  0.694  0.370  1.0
  O  O17  1  0.197  0.041  0.369  1.0
  O  O18  1  0.390  0.881  0.885  1.0
  O  O19  1  0.306  0.458  0.130  1.0
  O  O20  1  0.119  0.610  0.615  1.0
  O  O21  1  0.041  0.197  0.869  1.0
[/CIF]
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The compound described by Li3(RuO3)2 crystallizes in the monoclinic C2/c space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a distorted body-centered cubic geometry to two equivalent O(1), two equivalent O(2), and four equivalent O(3) atoms. In the second Li site, Li(2) is bonded in a body-centered cubic geometry to two equivalent O(1), two equivalent O(3), and four equivalent O(2) atoms. In the third Li site, Li(3) is bonded in a body-centered cubic geometry to two equivalent O(1), two equivalent O(3), and four equivalent O(2) atoms. Ru(1) is bonded in a distorted body-centered cubic geometry to two equivalent O(2), three equivalent O(1), and three equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to one Li(1), one Li(2), one Li(3), and three equivalent Ru(1) atoms. In the second O site, O(2) is bonded in a 7-coordinate geometry to one Li(1), two equivalent Li(2), two equivalent Li(3), and two equivalent Ru(1) atoms. In the third O site, O(3) is bonded in a 7-coordinate geometry to one Li(2), one Li(3), two equivalent Li(1), and three equivalent Ru(1) atoms. is represented by the CIF file [CIF]
data_Li3(RuO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.157
_cell_length_b   6.157
_cell_length_c   6.129
_cell_angle_alpha   79.963
_cell_angle_beta   79.963
_cell_angle_gamma   119.856
_symmetry_Int_Tables_number   1
_cell_volume   188.940
_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
  Li  Li0  1  0.605  0.395  0.250  1.0
  Li  Li1  1  0.747  0.253  0.750  1.0
  Li  Li2  1  0.500  0.000  0.500  1.0
  Li  Li3  1  0.253  0.747  0.250  1.0
  Li  Li4  1  0.395  0.605  0.750  1.0
  Li  Li5  1  0.000  0.500  0.000  1.0
  Ru  Ru6  1  0.842  0.676  0.501  1.0
  Ru  Ru7  1  0.676  0.842  0.001  1.0
  Ru  Ru8  1  0.324  0.158  0.999  1.0
  Ru  Ru9  1  0.158  0.324  0.499  1.0
  O  O10  1  0.959  0.803  0.131  1.0
  O  O11  1  0.881  0.390  0.385  1.0
  O  O12  1  0.694  0.542  0.870  1.0
  O  O13  1  0.610  0.119  0.115  1.0
  O  O14  1  0.803  0.959  0.631  1.0
  O  O15  1  0.458  0.306  0.630  1.0
  O  O16  1  0.542  0.694  0.370  1.0
  O  O17  1  0.197  0.041  0.369  1.0
  O  O18  1  0.390  0.881  0.885  1.0
  O  O19  1  0.306  0.458  0.130  1.0
  O  O20  1  0.119  0.610  0.615  1.0
  O  O21  1  0.041  0.197  0.869  1.0
[/CIF]
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