The crystal structure described by LiSr2O12 crystallizes in the triclinic P1 space group. Li(1) is bonded in an octahedral geometry to one O(11), one O(2), one O(4), one O(5), one O(7), 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(4), one O(5), one O(9), and two equivalent O(6) atoms. In the second Sr site, Sr(2) is bonded in a 9-coordinate geometry to one O(1), one O(11), one O(12), one O(2), one O(3), one O(4), one 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 trigonal planar geometry to one Sr(1), one Sr(2), and one O(7) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Li(1), one Sr(1), one Sr(2), and one O(8) atom. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Sr(1), and one O(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to two equivalent Sr(1) and one O(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Li(1), one 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 distorted water-like geometry to one Sr(1) and one O(12) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Li(1), one Sr(2), and one O(9) atom. In the twelfth O site, O(12) is bonded in a bent 120 degrees geometry to one Sr(2) and one O(10) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr2LiO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.823
_cell_length_b   5.105
_cell_length_c   8.175
_cell_angle_alpha   104.469
_cell_angle_beta   72.240
_cell_angle_gamma   108.513
_symmetry_Int_Tables_number   1
_cell_volume   216.294
_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  0.809  0.890  0.776  1.0
  Sr  Sr1  1  0.166  0.110  0.250  1.0
  Li  Li2  1  0.498  0.045  0.509  1.0
  O  O3  1  0.347  0.974  0.894  1.0
  O  O4  1  0.844  0.203  0.553  1.0
  O  O5  1  0.815  0.025  0.102  1.0
  O  O6  1  0.143  0.814  0.479  1.0
  O  O7  1  0.288  0.092  0.792  1.0
  O  O8  1  0.889  0.393  0.695  1.0
  O  O9  1  0.600  0.986  0.226  1.0
  O  O10  1  0.109  0.621  0.337  1.0
  O  O11  1  0.507  0.658  0.555  1.0
  O  O12  1  0.432  0.486  0.920  1.0
  O  O13  1  0.462  0.415  0.457  1.0
  O  O14  1  0.505  0.388  0.020  1.0
[/CIF]
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The crystal structure described by LiSr2O12 crystallizes in the triclinic P1 space group. Li(1) is bonded in an octahedral geometry to one O(11), one O(2), one O(4), one O(5), one O(7), 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(4), one O(5), one O(9), and two equivalent O(6) atoms. In the second Sr site, Sr(2) is bonded in a 9-coordinate geometry to one O(1), one O(11), one O(12), one O(2), one O(3), one O(4), one 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 trigonal planar geometry to one Sr(1), one Sr(2), and one O(7) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Li(1), one Sr(1), one Sr(2), and one O(8) atom. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Sr(1), and one O(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to two equivalent Sr(1) and one O(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Li(1), one 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 distorted water-like geometry to one Sr(1) and one O(12) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Li(1), one Sr(2), and one O(9) atom. In the twelfth O site, O(12) is bonded in a bent 120 degrees geometry to one Sr(2) and one O(10) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr2LiO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.823
_cell_length_b   5.105
_cell_length_c   8.175
_cell_angle_alpha   104.469
_cell_angle_beta   72.240
_cell_angle_gamma   108.513
_symmetry_Int_Tables_number   1
_cell_volume   216.294
_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  0.809  0.890  0.776  1.0
  Sr  Sr1  1  0.166  0.110  0.250  1.0
  Li  Li2  1  0.498  0.045  0.509  1.0
  O  O3  1  0.347  0.974  0.894  1.0
  O  O4  1  0.844  0.203  0.553  1.0
  O  O5  1  0.815  0.025  0.102  1.0
  O  O6  1  0.143  0.814  0.479  1.0
  O  O7  1  0.288  0.092  0.792  1.0
  O  O8  1  0.889  0.393  0.695  1.0
  O  O9  1  0.600  0.986  0.226  1.0
  O  O10  1  0.109  0.621  0.337  1.0
  O  O11  1  0.507  0.658  0.555  1.0
  O  O12  1  0.432  0.486  0.920  1.0
  O  O13  1  0.462  0.415  0.457  1.0
  O  O14  1  0.505  0.388  0.020  1.0
[/CIF]
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