The material structure described by LiSrPrTeO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic Pc space group. Li(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form LiO6 octahedra that share corners with six equivalent Te(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 23-32°. Sr(1) is bonded in a 8-coordinate geometry to one O(2), one O(3), one O(5), one O(6), two equivalent O(1), and two equivalent O(4) atoms. Pr(1) is bonded in a 8-coordinate geometry to one O(1), one O(4), one O(5), one O(6), two equivalent O(2), and two equivalent O(3) atoms. Te(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form TeO6 octahedra that share corners with six equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 23-32°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Li(1), two equivalent Sr(1), one Pr(1), and one Te(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Li(1), one Sr(1), two equivalent Pr(1), and one Te(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Li(1), one Sr(1), two equivalent Pr(1), and one Te(1) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Li(1), two equivalent Sr(1), one Pr(1), and one Te(1) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Li(1), one Sr(1), one Pr(1), and one Te(1) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Li(1), one Sr(1), one Pr(1), and one Te(1) atom. is represented by the CIF card [CIF]
data_SrLiPrTeO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.796
_cell_length_b   5.653
_cell_length_c   7.983
_cell_angle_alpha   90.216
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   261.567
_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  0.962  0.006  0.752  1.0
  Sr  Sr1  1  0.538  0.506  0.252  1.0
  Li  Li2  1  0.510  0.998  0.500  1.0
  Li  Li3  1  0.990  0.498  0.000  1.0
  Pr  Pr4  1  0.056  0.989  0.254  1.0
  Pr  Pr5  1  0.444  0.489  0.754  1.0
  Te  Te6  1  0.995  0.500  0.500  1.0
  Te  Te7  1  0.505  0.000  1.000  1.0
  O  O8  1  0.811  0.783  0.456  1.0
  O  O9  1  0.689  0.283  0.956  1.0
  O  O10  1  0.197  0.227  0.533  1.0
  O  O11  1  0.303  0.727  0.033  1.0
  O  O12  1  0.266  0.700  0.459  1.0
  O  O13  1  0.234  0.200  0.959  1.0
  O  O14  1  0.714  0.320  0.545  1.0
  O  O15  1  0.786  0.820  0.045  1.0
  O  O16  1  0.520  0.911  0.762  1.0
  O  O17  1  0.980  0.411  0.262  1.0
  O  O18  1  0.473  0.065  0.239  1.0
  O  O19  1  0.027  0.565  0.739  1.0
[/CIF]
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The material structure described by LiSrPrTeO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic Pc space group. Li(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form LiO6 octahedra that share corners with six equivalent Te(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 23-32°. Sr(1) is bonded in a 8-coordinate geometry to one O(2), one O(3), one O(5), one O(6), two equivalent O(1), and two equivalent O(4) atoms. Pr(1) is bonded in a 8-coordinate geometry to one O(1), one O(4), one O(5), one O(6), two equivalent O(2), and two equivalent O(3) atoms. Te(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form TeO6 octahedra that share corners with six equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 23-32°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Li(1), two equivalent Sr(1), one Pr(1), and one Te(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Li(1), one Sr(1), two equivalent Pr(1), and one Te(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Li(1), one Sr(1), two equivalent Pr(1), and one Te(1) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Li(1), two equivalent Sr(1), one Pr(1), and one Te(1) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Li(1), one Sr(1), one Pr(1), and one Te(1) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Li(1), one Sr(1), one Pr(1), and one Te(1) atom. is represented by the CIF card [CIF]
data_SrLiPrTeO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.796
_cell_length_b   5.653
_cell_length_c   7.983
_cell_angle_alpha   90.216
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   261.567
_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  0.962  0.006  0.752  1.0
  Sr  Sr1  1  0.538  0.506  0.252  1.0
  Li  Li2  1  0.510  0.998  0.500  1.0
  Li  Li3  1  0.990  0.498  0.000  1.0
  Pr  Pr4  1  0.056  0.989  0.254  1.0
  Pr  Pr5  1  0.444  0.489  0.754  1.0
  Te  Te6  1  0.995  0.500  0.500  1.0
  Te  Te7  1  0.505  0.000  1.000  1.0
  O  O8  1  0.811  0.783  0.456  1.0
  O  O9  1  0.689  0.283  0.956  1.0
  O  O10  1  0.197  0.227  0.533  1.0
  O  O11  1  0.303  0.727  0.033  1.0
  O  O12  1  0.266  0.700  0.459  1.0
  O  O13  1  0.234  0.200  0.959  1.0
  O  O14  1  0.714  0.320  0.545  1.0
  O  O15  1  0.786  0.820  0.045  1.0
  O  O16  1  0.520  0.911  0.762  1.0
  O  O17  1  0.980  0.411  0.262  1.0
  O  O18  1  0.473  0.065  0.239  1.0
  O  O19  1  0.027  0.565  0.739  1.0
[/CIF]
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