The material described by LiSr2TeO6 is (Cubic) Perovskite-derived structured and crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form LiO6 octahedra that share corners with six equivalent Te(1)O6 octahedra and faces with eight equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 3-8°. Sr(1) is bonded to four equivalent O(1), four equivalent O(2), and four equivalent O(3) atoms to form SrO12 cuboctahedra that share corners with twelve equivalent Sr(1)O12 cuboctahedra, faces with six equivalent Sr(1)O12 cuboctahedra, faces with four equivalent Li(1)O6 octahedra, and faces with four equivalent Te(1)O6 octahedra. Te(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form TeO6 octahedra that share corners with six equivalent Li(1)O6 octahedra and faces with eight equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 3-8°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one Li(1), four equivalent Sr(1), and one Te(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Li(1), four equivalent Sr(1), and one Te(1) atom. In the third O site, O(3) is bonded in a distorted linear geometry to one Li(1), four equivalent Sr(1), and one Te(1) atom. is represented by the CIF card [CIF]
data_Sr2LiTeO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.680
_cell_length_b   5.679
_cell_length_c   8.070
_cell_angle_alpha   90.085
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   260.310
_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
  Sr  Sr0  1  0.501  0.002  0.750  1.0
  Sr  Sr1  1  0.499  0.998  0.250  1.0
  Sr  Sr2  1  0.001  0.498  0.750  1.0
  Sr  Sr3  1  0.999  0.502  0.250  1.0
  Li  Li4  1  0.000  0.000  0.500  1.0
  Li  Li5  1  0.500  0.500  0.000  1.0
  Te  Te6  1  0.000  0.000  0.000  1.0
  Te  Te7  1  0.500  0.500  0.500  1.0
  O  O8  1  0.776  0.743  0.996  1.0
  O  O9  1  0.224  0.257  0.004  1.0
  O  O10  1  0.276  0.757  0.504  1.0
  O  O11  1  0.724  0.243  0.496  1.0
  O  O12  1  0.256  0.776  0.997  1.0
  O  O13  1  0.744  0.224  0.003  1.0
  O  O14  1  0.756  0.724  0.503  1.0
  O  O15  1  0.244  0.276  0.497  1.0
  O  O16  1  1.000  0.009  0.761  1.0
  O  O17  1  0.000  0.991  0.239  1.0
  O  O18  1  0.500  0.491  0.739  1.0
  O  O19  1  0.500  0.509  0.261  1.0
[/CIF]
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The material described by LiSr2TeO6 is (Cubic) Perovskite-derived structured and crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form LiO6 octahedra that share corners with six equivalent Te(1)O6 octahedra and faces with eight equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 3-8°. Sr(1) is bonded to four equivalent O(1), four equivalent O(2), and four equivalent O(3) atoms to form SrO12 cuboctahedra that share corners with twelve equivalent Sr(1)O12 cuboctahedra, faces with six equivalent Sr(1)O12 cuboctahedra, faces with four equivalent Li(1)O6 octahedra, and faces with four equivalent Te(1)O6 octahedra. Te(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form TeO6 octahedra that share corners with six equivalent Li(1)O6 octahedra and faces with eight equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 3-8°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one Li(1), four equivalent Sr(1), and one Te(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Li(1), four equivalent Sr(1), and one Te(1) atom. In the third O site, O(3) is bonded in a distorted linear geometry to one Li(1), four equivalent Sr(1), and one Te(1) atom. is represented by the CIF card [CIF]
data_Sr2LiTeO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.680
_cell_length_b   5.679
_cell_length_c   8.070
_cell_angle_alpha   90.085
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   260.310
_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
  Sr  Sr0  1  0.501  0.002  0.750  1.0
  Sr  Sr1  1  0.499  0.998  0.250  1.0
  Sr  Sr2  1  0.001  0.498  0.750  1.0
  Sr  Sr3  1  0.999  0.502  0.250  1.0
  Li  Li4  1  0.000  0.000  0.500  1.0
  Li  Li5  1  0.500  0.500  0.000  1.0
  Te  Te6  1  0.000  0.000  0.000  1.0
  Te  Te7  1  0.500  0.500  0.500  1.0
  O  O8  1  0.776  0.743  0.996  1.0
  O  O9  1  0.224  0.257  0.004  1.0
  O  O10  1  0.276  0.757  0.504  1.0
  O  O11  1  0.724  0.243  0.496  1.0
  O  O12  1  0.256  0.776  0.997  1.0
  O  O13  1  0.744  0.224  0.003  1.0
  O  O14  1  0.756  0.724  0.503  1.0
  O  O15  1  0.244  0.276  0.497  1.0
  O  O16  1  1.000  0.009  0.761  1.0
  O  O17  1  0.000  0.991  0.239  1.0
  O  O18  1  0.500  0.491  0.739  1.0
  O  O19  1  0.500  0.509  0.261  1.0
[/CIF]
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