The material structure described by LiSr2SiO4 crystallizes in the trigonal P3_121 space group. Li(1) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent O(2) atoms. Sr(1) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent O(2) atoms. Si(1) is bonded in a tetrahedral geometry to two equivalent O(1) and two equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), two equivalent Sr(1), and one Si(1) atom to form distorted corner-sharing OSr2LiSi tetrahedra. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Li(1), two equivalent Sr(1), and one Si(1) atom. is represented by the CIF file [CIF]
data_Sr2LiSiO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.982
_cell_length_b   5.982
_cell_length_c   13.597
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   421.409
_cell_formula_units_Z   3
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
  Sr  Sr0  1  0.182  0.523  0.932  1.0
  Sr  Sr1  1  0.477  0.660  0.266  1.0
  Sr  Sr2  1  0.523  0.182  0.068  1.0
  Sr  Sr3  1  0.340  0.818  0.599  1.0
  Sr  Sr4  1  0.660  0.477  0.734  1.0
  Sr  Sr5  1  0.818  0.340  0.401  1.0
  Li  Li6  1  0.740  0.000  0.833  1.0
  Li  Li7  1  0.000  0.740  0.167  1.0
  Li  Li8  1  0.260  0.260  0.500  1.0
  Si  Si9  1  0.200  0.000  0.333  1.0
  Si  Si10  1  0.000  0.200  0.667  1.0
  Si  Si11  1  0.800  0.800  0.000  1.0
  O  O12  1  0.261  0.181  0.642  1.0
  O  O13  1  0.819  0.080  0.976  1.0
  O  O14  1  0.181  0.261  0.358  1.0
  O  O15  1  0.920  0.739  0.309  1.0
  O  O16  1  0.080  0.819  0.024  1.0
  O  O17  1  0.739  0.920  0.691  1.0
  O  O18  1  0.965  0.350  0.570  1.0
  O  O19  1  0.650  0.615  0.903  1.0
  O  O20  1  0.350  0.965  0.430  1.0
  O  O21  1  0.385  0.035  0.236  1.0
  O  O22  1  0.615  0.650  0.097  1.0
  O  O23  1  0.035  0.385  0.764  1.0
[/CIF]
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The material structure described by LiSr2SiO4 crystallizes in the trigonal P3_121 space group. Li(1) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent O(2) atoms. Sr(1) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent O(2) atoms. Si(1) is bonded in a tetrahedral geometry to two equivalent O(1) and two equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), two equivalent Sr(1), and one Si(1) atom to form distorted corner-sharing OSr2LiSi tetrahedra. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Li(1), two equivalent Sr(1), and one Si(1) atom. is represented by the CIF file [CIF]
data_Sr2LiSiO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.982
_cell_length_b   5.982
_cell_length_c   13.597
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   421.409
_cell_formula_units_Z   3
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
  Sr  Sr0  1  0.182  0.523  0.932  1.0
  Sr  Sr1  1  0.477  0.660  0.266  1.0
  Sr  Sr2  1  0.523  0.182  0.068  1.0
  Sr  Sr3  1  0.340  0.818  0.599  1.0
  Sr  Sr4  1  0.660  0.477  0.734  1.0
  Sr  Sr5  1  0.818  0.340  0.401  1.0
  Li  Li6  1  0.740  0.000  0.833  1.0
  Li  Li7  1  0.000  0.740  0.167  1.0
  Li  Li8  1  0.260  0.260  0.500  1.0
  Si  Si9  1  0.200  0.000  0.333  1.0
  Si  Si10  1  0.000  0.200  0.667  1.0
  Si  Si11  1  0.800  0.800  0.000  1.0
  O  O12  1  0.261  0.181  0.642  1.0
  O  O13  1  0.819  0.080  0.976  1.0
  O  O14  1  0.181  0.261  0.358  1.0
  O  O15  1  0.920  0.739  0.309  1.0
  O  O16  1  0.080  0.819  0.024  1.0
  O  O17  1  0.739  0.920  0.691  1.0
  O  O18  1  0.965  0.350  0.570  1.0
  O  O19  1  0.650  0.615  0.903  1.0
  O  O20  1  0.350  0.965  0.430  1.0
  O  O21  1  0.385  0.035  0.236  1.0
  O  O22  1  0.615  0.650  0.097  1.0
  O  O23  1  0.035  0.385  0.764  1.0
[/CIF]
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