The compound described by Li5Cu3(TeO5)2 crystallizes in the triclinic P-1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one O(1), one O(3), one O(4), and two equivalent O(5) atoms. In the second Li site, Li(2) is bonded in a 6-coordinate geometry to one O(1), one O(3), one O(4), one O(5), and two equivalent O(2) atoms. In the third Li site, Li(3) is bonded in a 4-coordinate geometry to two equivalent O(3), two equivalent O(4), and two equivalent O(5) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a distorted linear geometry to two equivalent O(4) atoms. In the second Cu site, Cu(2) is bonded in a 5-coordinate geometry to one O(2), one O(4), one O(5), and two equivalent O(1) atoms. Te(1) is bonded to one O(1), one O(2), one O(4), one O(5), and two equivalent O(3) atoms to form edge-sharing TeO6 octahedra. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Li(1), one Li(2), two equivalent Cu(2), and one Te(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Li(2), one Cu(2), and one Te(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Li(1), one Li(2), one Li(3), and two equivalent Te(1) atoms. In the fourth O site, O(4) is bonded in a 6-coordinate geometry to one Li(1), one Li(2), one Li(3), one Cu(1), one Cu(2), and one Te(1) atom. In the fifth O site, O(5) is bonded in a 6-coordinate geometry to one Li(2), one Li(3), two equivalent Li(1), one Cu(2), and one Te(1) atom. is represented by the CIF card [CIF]
data_Li5Cu3(TeO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.438
_cell_length_b   5.623
_cell_length_c   8.185
_cell_angle_alpha   98.923
_cell_angle_beta   108.770
_cell_angle_gamma   105.679
_symmetry_Int_Tables_number   1
_cell_volume   219.955
_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
  Li  Li0  1  0.231  0.896  0.376  1.0
  Li  Li1  1  0.410  0.285  0.817  1.0
  Li  Li2  1  0.500  0.500  0.500  1.0
  Li  Li3  1  0.590  0.715  0.183  1.0
  Li  Li4  1  0.769  0.104  0.624  1.0
  Cu  Cu5  1  0.000  0.500  0.000  1.0
  Cu  Cu6  1  0.768  0.861  0.891  1.0
  Cu  Cu7  1  0.232  0.139  0.109  1.0
  Te  Te8  1  0.135  0.695  0.696  1.0
  Te  Te9  1  0.865  0.305  0.304  1.0
  O  O10  1  0.050  0.987  0.789  1.0
  O  O11  1  0.413  0.670  0.903  1.0
  O  O12  1  0.161  0.371  0.554  1.0
  O  O13  1  0.162  0.534  0.251  1.0
  O  O14  1  0.407  0.909  0.633  1.0
  O  O15  1  0.593  0.091  0.367  1.0
  O  O16  1  0.838  0.466  0.749  1.0
  O  O17  1  0.839  0.629  0.446  1.0
  O  O18  1  0.587  0.330  0.097  1.0
  O  O19  1  0.950  0.013  0.211  1.0
[/CIF]
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The compound described by Li5Cu3(TeO5)2 crystallizes in the triclinic P-1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one O(1), one O(3), one O(4), and two equivalent O(5) atoms. In the second Li site, Li(2) is bonded in a 6-coordinate geometry to one O(1), one O(3), one O(4), one O(5), and two equivalent O(2) atoms. In the third Li site, Li(3) is bonded in a 4-coordinate geometry to two equivalent O(3), two equivalent O(4), and two equivalent O(5) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a distorted linear geometry to two equivalent O(4) atoms. In the second Cu site, Cu(2) is bonded in a 5-coordinate geometry to one O(2), one O(4), one O(5), and two equivalent O(1) atoms. Te(1) is bonded to one O(1), one O(2), one O(4), one O(5), and two equivalent O(3) atoms to form edge-sharing TeO6 octahedra. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Li(1), one Li(2), two equivalent Cu(2), and one Te(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Li(2), one Cu(2), and one Te(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Li(1), one Li(2), one Li(3), and two equivalent Te(1) atoms. In the fourth O site, O(4) is bonded in a 6-coordinate geometry to one Li(1), one Li(2), one Li(3), one Cu(1), one Cu(2), and one Te(1) atom. In the fifth O site, O(5) is bonded in a 6-coordinate geometry to one Li(2), one Li(3), two equivalent Li(1), one Cu(2), and one Te(1) atom. is represented by the CIF card [CIF]
data_Li5Cu3(TeO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.438
_cell_length_b   5.623
_cell_length_c   8.185
_cell_angle_alpha   98.923
_cell_angle_beta   108.770
_cell_angle_gamma   105.679
_symmetry_Int_Tables_number   1
_cell_volume   219.955
_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
  Li  Li0  1  0.231  0.896  0.376  1.0
  Li  Li1  1  0.410  0.285  0.817  1.0
  Li  Li2  1  0.500  0.500  0.500  1.0
  Li  Li3  1  0.590  0.715  0.183  1.0
  Li  Li4  1  0.769  0.104  0.624  1.0
  Cu  Cu5  1  0.000  0.500  0.000  1.0
  Cu  Cu6  1  0.768  0.861  0.891  1.0
  Cu  Cu7  1  0.232  0.139  0.109  1.0
  Te  Te8  1  0.135  0.695  0.696  1.0
  Te  Te9  1  0.865  0.305  0.304  1.0
  O  O10  1  0.050  0.987  0.789  1.0
  O  O11  1  0.413  0.670  0.903  1.0
  O  O12  1  0.161  0.371  0.554  1.0
  O  O13  1  0.162  0.534  0.251  1.0
  O  O14  1  0.407  0.909  0.633  1.0
  O  O15  1  0.593  0.091  0.367  1.0
  O  O16  1  0.838  0.466  0.749  1.0
  O  O17  1  0.839  0.629  0.446  1.0
  O  O18  1  0.587  0.330  0.097  1.0
  O  O19  1  0.950  0.013  0.211  1.0
[/CIF]
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