The material structure described by LiSr2TeO6 is Orthorhombic 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. The corner-sharing octahedral tilt angles range from 19-20°. Sr(1) is bonded in a 8-coordinate geometry to two equivalent O(1), three equivalent O(2), and three equivalent O(3) atoms. 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. The corner-sharing octahedral tilt angles range from 19-20°. There are three 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 Te(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Li(1), three equivalent Sr(1), and one Te(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Li(1), three equivalent Sr(1), and one Te(1) atom. is represented by the CIF file [CIF]
data_Sr2LiTeO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.730
_cell_length_b   5.817
_cell_length_c   8.002
_cell_angle_alpha   90.000
_cell_angle_beta   89.218
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   266.693
_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  0.008  0.467  0.253  1.0
  Sr  Sr1  1  0.992  0.533  0.747  1.0
  Sr  Sr2  1  0.492  0.967  0.247  1.0
  Sr  Sr3  1  0.508  0.033  0.753  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  0.942  0.014  0.239  1.0
  O  O9  1  0.058  0.986  0.761  1.0
  O  O10  1  0.558  0.514  0.261  1.0
  O  O11  1  0.442  0.486  0.739  1.0
  O  O12  1  0.203  0.737  0.033  1.0
  O  O13  1  0.797  0.263  0.967  1.0
  O  O14  1  0.297  0.237  0.467  1.0
  O  O15  1  0.703  0.763  0.533  1.0
  O  O16  1  0.267  0.204  0.026  1.0
  O  O17  1  0.733  0.796  0.974  1.0
  O  O18  1  0.233  0.704  0.474  1.0
  O  O19  1  0.767  0.296  0.526  1.0
[/CIF]
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The material structure described by LiSr2TeO6 is Orthorhombic 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. The corner-sharing octahedral tilt angles range from 19-20°. Sr(1) is bonded in a 8-coordinate geometry to two equivalent O(1), three equivalent O(2), and three equivalent O(3) atoms. 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. The corner-sharing octahedral tilt angles range from 19-20°. There are three 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 Te(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Li(1), three equivalent Sr(1), and one Te(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Li(1), three equivalent Sr(1), and one Te(1) atom. is represented by the CIF file [CIF]
data_Sr2LiTeO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.730
_cell_length_b   5.817
_cell_length_c   8.002
_cell_angle_alpha   90.000
_cell_angle_beta   89.218
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   266.693
_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  0.008  0.467  0.253  1.0
  Sr  Sr1  1  0.992  0.533  0.747  1.0
  Sr  Sr2  1  0.492  0.967  0.247  1.0
  Sr  Sr3  1  0.508  0.033  0.753  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  0.942  0.014  0.239  1.0
  O  O9  1  0.058  0.986  0.761  1.0
  O  O10  1  0.558  0.514  0.261  1.0
  O  O11  1  0.442  0.486  0.739  1.0
  O  O12  1  0.203  0.737  0.033  1.0
  O  O13  1  0.797  0.263  0.967  1.0
  O  O14  1  0.297  0.237  0.467  1.0
  O  O15  1  0.703  0.763  0.533  1.0
  O  O16  1  0.267  0.204  0.026  1.0
  O  O17  1  0.733  0.796  0.974  1.0
  O  O18  1  0.233  0.704  0.474  1.0
  O  O19  1  0.767  0.296  0.526  1.0
[/CIF]
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