The material described by LiSr2O12 crystallizes in the triclinic P1 space group. Li(1) is bonded in a 5-coordinate geometry to one O(2), one O(4), one O(5), one O(6), and one O(9) atom. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 9-coordinate geometry to one O(1), one O(10), one O(2), one O(3), one O(9), two equivalent O(5), and two equivalent O(6) atoms. In the second Sr site, Sr(2) is bonded in a 10-coordinate geometry to one O(1), one O(11), one O(12), one O(2), one O(3), one O(4), two equivalent O(7), and two equivalent O(8) atoms. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Sr(1), one Sr(2), and one O(5) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Li(1), one Sr(1), one Sr(2), and one O(6) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Sr(1), one Sr(2), and one O(7) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Li(1), one Sr(2), and one O(8) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Li(1), two equivalent Sr(1), and one O(1) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Li(1), two equivalent Sr(1), and one O(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Sr(2) and one O(3) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to two equivalent Sr(2) and one O(4) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Li(1), one Sr(1), and one O(11) atom. In the tenth O site, O(10) is bonded in a bent 120 degrees geometry to one Sr(1) and one O(12) atom. In the eleventh O site, O(11) is bonded in a 2-coordinate geometry to one Sr(2) and one O(9) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one Sr(2) and one O(10) atom. is represented by the CIF card [CIF]
data_Sr2LiO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.344
_cell_length_b   5.161
_cell_length_c   8.700
_cell_angle_alpha   101.474
_cell_angle_beta   87.001
_cell_angle_gamma   103.679
_symmetry_Int_Tables_number   1
_cell_volume   228.454
_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  0.786  0.943  0.776  1.0
  Sr  Sr1  1  0.169  0.096  0.233  1.0
  Li  Li2  1  0.181  0.597  0.582  1.0
  O  O3  1  0.174  0.920  0.927  1.0
  O  O4  1  0.937  0.226  0.569  1.0
  O  O5  1  0.764  0.099  0.074  1.0
  O  O6  1  0.130  0.775  0.416  1.0
  O  O7  1  0.289  0.949  0.786  1.0
  O  O8  1  0.924  0.408  0.708  1.0
  O  O9  1  0.662  0.995  0.198  1.0
  O  O10  1  0.109  0.603  0.276  1.0
  O  O11  1  0.543  0.580  0.560  1.0
  O  O12  1  0.502  0.483  0.905  1.0
  O  O13  1  0.533  0.375  0.443  1.0
  O  O14  1  0.459  0.464  0.046  1.0
[/CIF]
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The material described by LiSr2O12 crystallizes in the triclinic P1 space group. Li(1) is bonded in a 5-coordinate geometry to one O(2), one O(4), one O(5), one O(6), and one O(9) atom. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 9-coordinate geometry to one O(1), one O(10), one O(2), one O(3), one O(9), two equivalent O(5), and two equivalent O(6) atoms. In the second Sr site, Sr(2) is bonded in a 10-coordinate geometry to one O(1), one O(11), one O(12), one O(2), one O(3), one O(4), two equivalent O(7), and two equivalent O(8) atoms. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Sr(1), one Sr(2), and one O(5) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Li(1), one Sr(1), one Sr(2), and one O(6) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Sr(1), one Sr(2), and one O(7) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Li(1), one Sr(2), and one O(8) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Li(1), two equivalent Sr(1), and one O(1) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Li(1), two equivalent Sr(1), and one O(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Sr(2) and one O(3) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to two equivalent Sr(2) and one O(4) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Li(1), one Sr(1), and one O(11) atom. In the tenth O site, O(10) is bonded in a bent 120 degrees geometry to one Sr(1) and one O(12) atom. In the eleventh O site, O(11) is bonded in a 2-coordinate geometry to one Sr(2) and one O(9) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one Sr(2) and one O(10) atom. is represented by the CIF card [CIF]
data_Sr2LiO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.344
_cell_length_b   5.161
_cell_length_c   8.700
_cell_angle_alpha   101.474
_cell_angle_beta   87.001
_cell_angle_gamma   103.679
_symmetry_Int_Tables_number   1
_cell_volume   228.454
_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  0.786  0.943  0.776  1.0
  Sr  Sr1  1  0.169  0.096  0.233  1.0
  Li  Li2  1  0.181  0.597  0.582  1.0
  O  O3  1  0.174  0.920  0.927  1.0
  O  O4  1  0.937  0.226  0.569  1.0
  O  O5  1  0.764  0.099  0.074  1.0
  O  O6  1  0.130  0.775  0.416  1.0
  O  O7  1  0.289  0.949  0.786  1.0
  O  O8  1  0.924  0.408  0.708  1.0
  O  O9  1  0.662  0.995  0.198  1.0
  O  O10  1  0.109  0.603  0.276  1.0
  O  O11  1  0.543  0.580  0.560  1.0
  O  O12  1  0.502  0.483  0.905  1.0
  O  O13  1  0.533  0.375  0.443  1.0
  O  O14  1  0.459  0.464  0.046  1.0
[/CIF]
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