The material described by LiInSi2O6 is Esseneite structured and crystallizes in the monoclinic C2/c space group. Li(1) is bonded in a rectangular see-saw-like geometry to two equivalent O(2) and two equivalent O(3) atoms. In(1) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form InO6 octahedra that share corners with six equivalent Si(1)O4 tetrahedra and edges with two equivalent In(1)O6 octahedra. Si(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form SiO4 tetrahedra that share corners with three equivalent In(1)O6 octahedra and corners with two equivalent Si(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 42-60°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to two equivalent Si(1) atoms. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Li(1), two equivalent In(1), and one Si(1) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Li(1), one In(1), and one Si(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiIn(SiO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.789
_cell_length_b   6.789
_cell_length_c   5.452
_cell_angle_alpha   74.845
_cell_angle_beta   74.845
_cell_angle_gamma   85.532
_symmetry_Int_Tables_number   1
_cell_volume   234.075
_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  0.757  0.243  0.750  1.0
  Li  Li1  1  0.243  0.757  0.250  1.0
  In  In2  1  0.110  0.890  0.750  1.0
  In  In3  1  0.890  0.110  0.250  1.0
  Si  Si4  1  0.614  0.783  0.781  1.0
  Si  Si5  1  0.386  0.217  0.219  1.0
  Si  Si6  1  0.783  0.614  0.281  1.0
  Si  Si7  1  0.217  0.386  0.719  1.0
  O  O8  1  0.334  0.369  0.953  1.0
  O  O9  1  0.369  0.334  0.453  1.0
  O  O10  1  0.666  0.631  0.047  1.0
  O  O11  1  0.631  0.666  0.547  1.0
  O  O12  1  0.961  0.794  0.164  1.0
  O  O13  1  0.615  0.132  0.131  1.0
  O  O14  1  0.039  0.206  0.836  1.0
  O  O15  1  0.794  0.961  0.664  1.0
  O  O16  1  0.206  0.039  0.336  1.0
  O  O17  1  0.385  0.868  0.869  1.0
  O  O18  1  0.132  0.615  0.631  1.0
  O  O19  1  0.868  0.385  0.369  1.0
[/CIF]
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The material described by LiInSi2O6 is Esseneite structured and crystallizes in the monoclinic C2/c space group. Li(1) is bonded in a rectangular see-saw-like geometry to two equivalent O(2) and two equivalent O(3) atoms. In(1) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form InO6 octahedra that share corners with six equivalent Si(1)O4 tetrahedra and edges with two equivalent In(1)O6 octahedra. Si(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form SiO4 tetrahedra that share corners with three equivalent In(1)O6 octahedra and corners with two equivalent Si(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 42-60°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to two equivalent Si(1) atoms. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Li(1), two equivalent In(1), and one Si(1) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Li(1), one In(1), and one Si(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiIn(SiO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.789
_cell_length_b   6.789
_cell_length_c   5.452
_cell_angle_alpha   74.845
_cell_angle_beta   74.845
_cell_angle_gamma   85.532
_symmetry_Int_Tables_number   1
_cell_volume   234.075
_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  0.757  0.243  0.750  1.0
  Li  Li1  1  0.243  0.757  0.250  1.0
  In  In2  1  0.110  0.890  0.750  1.0
  In  In3  1  0.890  0.110  0.250  1.0
  Si  Si4  1  0.614  0.783  0.781  1.0
  Si  Si5  1  0.386  0.217  0.219  1.0
  Si  Si6  1  0.783  0.614  0.281  1.0
  Si  Si7  1  0.217  0.386  0.719  1.0
  O  O8  1  0.334  0.369  0.953  1.0
  O  O9  1  0.369  0.334  0.453  1.0
  O  O10  1  0.666  0.631  0.047  1.0
  O  O11  1  0.631  0.666  0.547  1.0
  O  O12  1  0.961  0.794  0.164  1.0
  O  O13  1  0.615  0.132  0.131  1.0
  O  O14  1  0.039  0.206  0.836  1.0
  O  O15  1  0.794  0.961  0.664  1.0
  O  O16  1  0.206  0.039  0.336  1.0
  O  O17  1  0.385  0.868  0.869  1.0
  O  O18  1  0.132  0.615  0.631  1.0
  O  O19  1  0.868  0.385  0.369  1.0
[/CIF]
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