The material described by LiSr2O12 crystallizes in the triclinic P-1 space group. Li(1) is bonded in an octahedral geometry to two equivalent O(1), two equivalent O(4), and two equivalent O(6) atoms. Sr(1) is bonded in a 9-coordinate geometry to one O(4), one O(5), one O(6), two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Li(1), two equivalent Sr(1), and one O(3) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to two equivalent Sr(1) and one O(4) atom. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Sr(1) and one O(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(1), one Sr(1), and one O(2) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Sr(1) and one O(5) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Li(1), one Sr(1), and one O(6) atom. is represented by the CIF file [CIF]
data_Sr2LiO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.987
_cell_length_b   6.035
_cell_length_c   8.082
_cell_angle_alpha   101.621
_cell_angle_beta   72.090
_cell_angle_gamma   110.415
_symmetry_Int_Tables_number   1
_cell_volume   215.670
_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
  Sr  Sr0  1  0.857  0.841  0.753  1.0
  Sr  Sr1  1  0.143  0.159  0.247  1.0
  Li  Li2  1  0.000  0.500  0.000  1.0
  O  O3  1  0.164  0.863  0.962  1.0
  O  O4  1  0.994  0.234  0.604  1.0
  O  O5  1  0.836  0.137  0.038  1.0
  O  O6  1  0.006  0.766  0.396  1.0
  O  O7  1  0.370  0.946  0.813  1.0
  O  O8  1  0.022  0.435  0.706  1.0
  O  O9  1  0.630  0.054  0.187  1.0
  O  O10  1  0.978  0.565  0.294  1.0
  O  O11  1  0.496  0.593  0.552  1.0
  O  O12  1  0.443  0.526  0.945  1.0
  O  O13  1  0.504  0.407  0.448  1.0
  O  O14  1  0.557  0.474  0.055  1.0
[/CIF]
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The material described by LiSr2O12 crystallizes in the triclinic P-1 space group. Li(1) is bonded in an octahedral geometry to two equivalent O(1), two equivalent O(4), and two equivalent O(6) atoms. Sr(1) is bonded in a 9-coordinate geometry to one O(4), one O(5), one O(6), two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Li(1), two equivalent Sr(1), and one O(3) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to two equivalent Sr(1) and one O(4) atom. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Sr(1) and one O(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(1), one Sr(1), and one O(2) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Sr(1) and one O(5) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Li(1), one Sr(1), and one O(6) atom. is represented by the CIF file [CIF]
data_Sr2LiO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.987
_cell_length_b   6.035
_cell_length_c   8.082
_cell_angle_alpha   101.621
_cell_angle_beta   72.090
_cell_angle_gamma   110.415
_symmetry_Int_Tables_number   1
_cell_volume   215.670
_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
  Sr  Sr0  1  0.857  0.841  0.753  1.0
  Sr  Sr1  1  0.143  0.159  0.247  1.0
  Li  Li2  1  0.000  0.500  0.000  1.0
  O  O3  1  0.164  0.863  0.962  1.0
  O  O4  1  0.994  0.234  0.604  1.0
  O  O5  1  0.836  0.137  0.038  1.0
  O  O6  1  0.006  0.766  0.396  1.0
  O  O7  1  0.370  0.946  0.813  1.0
  O  O8  1  0.022  0.435  0.706  1.0
  O  O9  1  0.630  0.054  0.187  1.0
  O  O10  1  0.978  0.565  0.294  1.0
  O  O11  1  0.496  0.593  0.552  1.0
  O  O12  1  0.443  0.526  0.945  1.0
  O  O13  1  0.504  0.407  0.448  1.0
  O  O14  1  0.557  0.474  0.055  1.0
[/CIF]
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