The compound described by LiSi2BiO6 is Esseneite structured and crystallizes in the monoclinic C2/c space group. Li(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form LiO6 octahedra that share corners with six equivalent Si(1)O4 tetrahedra and edges with two equivalent Li(1)O6 octahedra. Si(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form SiO4 tetrahedra that share corners with three equivalent Li(1)O6 octahedra and corners with two equivalent Si(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 32-60°. Bi(1) is bonded in a rectangular see-saw-like geometry to two equivalent O(1) and two equivalent O(2) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Li(1), one Si(1), and one Bi(1) atom to form a mixture of distorted corner and edge-sharing OLi2SiBi trigonal pyramids. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(1), one Si(1), and one Bi(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to two equivalent Si(1) atoms. is represented by the CIF card [CIF]
data_LiSi2BiO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.882
_cell_length_b   6.882
_cell_length_c   5.292
_cell_angle_alpha   78.646
_cell_angle_beta   78.646
_cell_angle_gamma   85.935
_symmetry_Int_Tables_number   1
_cell_volume   240.758
_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  0.911  0.089  0.250  1.0
  Li  Li1  1  0.089  0.911  0.750  1.0
  Si  Si2  1  0.807  0.625  0.232  1.0
  Si  Si3  1  0.625  0.807  0.732  1.0
  Si  Si4  1  0.375  0.193  0.268  1.0
  Si  Si5  1  0.193  0.375  0.768  1.0
  Bi  Bi6  1  0.272  0.728  0.250  1.0
  Bi  Bi7  1  0.728  0.272  0.750  1.0
  O  O8  1  0.978  0.792  0.146  1.0
  O  O9  1  0.792  0.978  0.646  1.0
  O  O10  1  0.883  0.399  0.321  1.0
  O  O11  1  0.682  0.639  0.987  1.0
  O  O12  1  0.399  0.883  0.821  1.0
  O  O13  1  0.639  0.682  0.487  1.0
  O  O14  1  0.361  0.318  0.513  1.0
  O  O15  1  0.601  0.117  0.179  1.0
  O  O16  1  0.318  0.361  0.013  1.0
  O  O17  1  0.117  0.601  0.679  1.0
  O  O18  1  0.208  0.022  0.354  1.0
  O  O19  1  0.022  0.208  0.854  1.0
[/CIF]
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The compound described by LiSi2BiO6 is Esseneite structured and crystallizes in the monoclinic C2/c space group. Li(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form LiO6 octahedra that share corners with six equivalent Si(1)O4 tetrahedra and edges with two equivalent Li(1)O6 octahedra. Si(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form SiO4 tetrahedra that share corners with three equivalent Li(1)O6 octahedra and corners with two equivalent Si(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 32-60°. Bi(1) is bonded in a rectangular see-saw-like geometry to two equivalent O(1) and two equivalent O(2) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Li(1), one Si(1), and one Bi(1) atom to form a mixture of distorted corner and edge-sharing OLi2SiBi trigonal pyramids. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(1), one Si(1), and one Bi(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to two equivalent Si(1) atoms. is represented by the CIF card [CIF]
data_LiSi2BiO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.882
_cell_length_b   6.882
_cell_length_c   5.292
_cell_angle_alpha   78.646
_cell_angle_beta   78.646
_cell_angle_gamma   85.935
_symmetry_Int_Tables_number   1
_cell_volume   240.758
_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  0.911  0.089  0.250  1.0
  Li  Li1  1  0.089  0.911  0.750  1.0
  Si  Si2  1  0.807  0.625  0.232  1.0
  Si  Si3  1  0.625  0.807  0.732  1.0
  Si  Si4  1  0.375  0.193  0.268  1.0
  Si  Si5  1  0.193  0.375  0.768  1.0
  Bi  Bi6  1  0.272  0.728  0.250  1.0
  Bi  Bi7  1  0.728  0.272  0.750  1.0
  O  O8  1  0.978  0.792  0.146  1.0
  O  O9  1  0.792  0.978  0.646  1.0
  O  O10  1  0.883  0.399  0.321  1.0
  O  O11  1  0.682  0.639  0.987  1.0
  O  O12  1  0.399  0.883  0.821  1.0
  O  O13  1  0.639  0.682  0.487  1.0
  O  O14  1  0.361  0.318  0.513  1.0
  O  O15  1  0.601  0.117  0.179  1.0
  O  O16  1  0.318  0.361  0.013  1.0
  O  O17  1  0.117  0.601  0.679  1.0
  O  O18  1  0.208  0.022  0.354  1.0
  O  O19  1  0.022  0.208  0.854  1.0
[/CIF]
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