The material structure described by Li4TeO5 crystallizes in the triclinic P-1 space group. There are five inequivalent Li sites. In the first Li site, Li(1) is bonded in a 3-coordinate geometry to one O(1), one O(5), and two equivalent O(2) atoms. In the second Li site, Li(2) is bonded in a 2-coordinate geometry to two equivalent O(2) atoms. In the third Li site, Li(3) is bonded in a 8-coordinate geometry to two equivalent Te(1), two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. In the fourth Li site, Li(4) is bonded in a distorted single-bond geometry to one O(2), one O(3), and one O(4) atom. In the fifth Li site, Li(5) is bonded in a 3-coordinate geometry to one O(2), one O(4), and two equivalent O(5) atoms. Te(1) is bonded in a 2-coordinate geometry to one Li(3), one O(2), and one O(3) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one Li(1) and one Li(3) atom. In the second O site, O(2) is bonded in a 7-coordinate geometry to one Li(2), one Li(3), one Li(4), one Li(5), two equivalent Li(1), and one Te(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(3), one Li(4), and one Te(1) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one Li(4) and one Li(5) atom. In the fifth O site, O(5) is bonded in a 1-coordinate geometry to one Li(1) and two equivalent Li(5) atoms. is represented by the CIF file [CIF]
data_Li4TeO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.186
_cell_length_b   5.258
_cell_length_c   7.866
_cell_angle_alpha   107.540
_cell_angle_beta   102.048
_cell_angle_gamma   101.865
_symmetry_Int_Tables_number   1
_cell_volume   191.546
_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
  Li  Li0  1  0.106  0.484  0.317  1.0
  Li  Li1  1  0.894  0.516  0.683  1.0
  Li  Li2  1  0.500  0.500  0.500  1.0
  Li  Li3  1  0.500  0.000  0.000  1.0
  Li  Li4  1  0.338  0.505  0.888  1.0
  Li  Li5  1  0.662  0.495  0.112  1.0
  Li  Li6  1  0.691  0.010  0.604  1.0
  Li  Li7  1  0.309  0.990  0.396  1.0
  Te  Te8  1  0.103  0.002  0.788  1.0
  Te  Te9  1  0.897  0.998  0.212  1.0
  O  O10  1  0.729  0.763  0.847  1.0
  O  O11  1  0.271  0.237  0.153  1.0
  O  O12  1  0.722  0.229  0.329  1.0
  O  O13  1  0.278  0.771  0.671  1.0
  O  O14  1  0.088  0.787  0.044  1.0
  O  O15  1  0.912  0.213  0.956  1.0
  O  O16  1  0.468  0.240  0.751  1.0
  O  O17  1  0.532  0.760  0.249  1.0
  O  O18  1  0.909  0.754  0.427  1.0
  O  O19  1  0.091  0.246  0.573  1.0
[/CIF]
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The material structure described by Li4TeO5 crystallizes in the triclinic P-1 space group. There are five inequivalent Li sites. In the first Li site, Li(1) is bonded in a 3-coordinate geometry to one O(1), one O(5), and two equivalent O(2) atoms. In the second Li site, Li(2) is bonded in a 2-coordinate geometry to two equivalent O(2) atoms. In the third Li site, Li(3) is bonded in a 8-coordinate geometry to two equivalent Te(1), two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. In the fourth Li site, Li(4) is bonded in a distorted single-bond geometry to one O(2), one O(3), and one O(4) atom. In the fifth Li site, Li(5) is bonded in a 3-coordinate geometry to one O(2), one O(4), and two equivalent O(5) atoms. Te(1) is bonded in a 2-coordinate geometry to one Li(3), one O(2), and one O(3) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one Li(1) and one Li(3) atom. In the second O site, O(2) is bonded in a 7-coordinate geometry to one Li(2), one Li(3), one Li(4), one Li(5), two equivalent Li(1), and one Te(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(3), one Li(4), and one Te(1) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one Li(4) and one Li(5) atom. In the fifth O site, O(5) is bonded in a 1-coordinate geometry to one Li(1) and two equivalent Li(5) atoms. is represented by the CIF file [CIF]
data_Li4TeO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.186
_cell_length_b   5.258
_cell_length_c   7.866
_cell_angle_alpha   107.540
_cell_angle_beta   102.048
_cell_angle_gamma   101.865
_symmetry_Int_Tables_number   1
_cell_volume   191.546
_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
  Li  Li0  1  0.106  0.484  0.317  1.0
  Li  Li1  1  0.894  0.516  0.683  1.0
  Li  Li2  1  0.500  0.500  0.500  1.0
  Li  Li3  1  0.500  0.000  0.000  1.0
  Li  Li4  1  0.338  0.505  0.888  1.0
  Li  Li5  1  0.662  0.495  0.112  1.0
  Li  Li6  1  0.691  0.010  0.604  1.0
  Li  Li7  1  0.309  0.990  0.396  1.0
  Te  Te8  1  0.103  0.002  0.788  1.0
  Te  Te9  1  0.897  0.998  0.212  1.0
  O  O10  1  0.729  0.763  0.847  1.0
  O  O11  1  0.271  0.237  0.153  1.0
  O  O12  1  0.722  0.229  0.329  1.0
  O  O13  1  0.278  0.771  0.671  1.0
  O  O14  1  0.088  0.787  0.044  1.0
  O  O15  1  0.912  0.213  0.956  1.0
  O  O16  1  0.468  0.240  0.751  1.0
  O  O17  1  0.532  0.760  0.249  1.0
  O  O18  1  0.909  0.754  0.427  1.0
  O  O19  1  0.091  0.246  0.573  1.0
[/CIF]
.