The material described by Li4Fe3TeO8 crystallizes in the triclinic P1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded in a trigonal non-coplanar geometry to one O(4), one O(7), and one O(8) atom. In the second Li site, Li(2) is bonded in a distorted trigonal non-coplanar geometry to one O(1), one O(5), and one O(6) atom. In the third Li site, Li(3) is bonded in a 3-coordinate geometry to one O(3), one O(4), and one O(8) atom. In the fourth Li site, Li(4) is bonded in a distorted trigonal non-coplanar geometry to one O(1), one O(2), and one O(5) atom. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a trigonal non-coplanar geometry to one O(3), one O(7), and one O(8) atom. In the second Fe site, Fe(2) is bonded to one O(2), one O(4), one O(5), and one O(6) atom to form distorted FeO4 tetrahedra that share corners with two equivalent Fe(3)O4 tetrahedra and corners with two equivalent Te(1)O4 trigonal pyramids. In the third Fe site, Fe(3) is bonded to one O(3), one O(4), one O(5), and one O(7) atom to form distorted corner-sharing FeO4 tetrahedra. Te(1) is bonded to one O(1), one O(2), one O(6), and one O(8) atom to form distorted TeO4 trigonal pyramids that share corners with two equivalent Fe(2)O4 tetrahedra. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a trigonal non-coplanar geometry to one Li(2), one Li(4), and one Te(1) atom. In the second O site, O(2) is bonded in a trigonal non-coplanar geometry to one Li(4), one Fe(2), and one Te(1) atom. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Li(3), one Fe(1), and one Fe(3) atom. In the fourth O site, O(4) is bonded to one Li(1), one Li(3), one Fe(2), and one Fe(3) atom to form distorted corner-sharing OLi2Fe2 tetrahedra. In the fifth O site, O(5) is bonded to one Li(2), one Li(4), one Fe(2), and one Fe(3) atom to form distorted corner-sharing OLi2Fe2 tetrahedra. In the sixth O site, O(6) is bonded in a trigonal non-coplanar geometry to one Li(2), one Fe(2), and one Te(1) atom. In the seventh O site, O(7) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Fe(1), and one Fe(3) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Li(1), one Li(3), one Fe(1), and one Te(1) atom. is represented by the CIF card [CIF]
data_Li4Fe3TeO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.995
_cell_length_b   6.649
_cell_length_c   4.992
_cell_angle_alpha   90.483
_cell_angle_beta   90.667
_cell_angle_gamma   92.779
_symmetry_Int_Tables_number   1
_cell_volume   198.711
_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  0.605  0.973  0.094  1.0
  Li  Li1  1  0.136  0.507  0.418  1.0
  Li  Li2  1  0.884  0.985  0.547  1.0
  Li  Li3  1  0.373  0.504  0.911  1.0
  Fe  Fe4  1  0.148  0.966  0.094  1.0
  Fe  Fe5  1  0.619  0.510  0.422  1.0
  Fe  Fe6  1  0.374  0.003  0.591  1.0
  Te  Te7  1  0.863  0.434  0.913  1.0
  O  O8  1  0.124  0.403  0.078  1.0
  O  O9  1  0.615  0.407  0.117  1.0
  O  O10  1  0.138  0.907  0.419  1.0
  O  O11  1  0.607  0.893  0.428  1.0
  O  O12  1  0.396  0.391  0.586  1.0
  O  O13  1  0.877  0.423  0.558  1.0
  O  O14  1  0.370  0.900  0.893  1.0
  O  O15  1  0.871  0.820  0.930  1.0
[/CIF]
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The material described by Li4Fe3TeO8 crystallizes in the triclinic P1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded in a trigonal non-coplanar geometry to one O(4), one O(7), and one O(8) atom. In the second Li site, Li(2) is bonded in a distorted trigonal non-coplanar geometry to one O(1), one O(5), and one O(6) atom. In the third Li site, Li(3) is bonded in a 3-coordinate geometry to one O(3), one O(4), and one O(8) atom. In the fourth Li site, Li(4) is bonded in a distorted trigonal non-coplanar geometry to one O(1), one O(2), and one O(5) atom. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a trigonal non-coplanar geometry to one O(3), one O(7), and one O(8) atom. In the second Fe site, Fe(2) is bonded to one O(2), one O(4), one O(5), and one O(6) atom to form distorted FeO4 tetrahedra that share corners with two equivalent Fe(3)O4 tetrahedra and corners with two equivalent Te(1)O4 trigonal pyramids. In the third Fe site, Fe(3) is bonded to one O(3), one O(4), one O(5), and one O(7) atom to form distorted corner-sharing FeO4 tetrahedra. Te(1) is bonded to one O(1), one O(2), one O(6), and one O(8) atom to form distorted TeO4 trigonal pyramids that share corners with two equivalent Fe(2)O4 tetrahedra. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a trigonal non-coplanar geometry to one Li(2), one Li(4), and one Te(1) atom. In the second O site, O(2) is bonded in a trigonal non-coplanar geometry to one Li(4), one Fe(2), and one Te(1) atom. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Li(3), one Fe(1), and one Fe(3) atom. In the fourth O site, O(4) is bonded to one Li(1), one Li(3), one Fe(2), and one Fe(3) atom to form distorted corner-sharing OLi2Fe2 tetrahedra. In the fifth O site, O(5) is bonded to one Li(2), one Li(4), one Fe(2), and one Fe(3) atom to form distorted corner-sharing OLi2Fe2 tetrahedra. In the sixth O site, O(6) is bonded in a trigonal non-coplanar geometry to one Li(2), one Fe(2), and one Te(1) atom. In the seventh O site, O(7) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Fe(1), and one Fe(3) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Li(1), one Li(3), one Fe(1), and one Te(1) atom. is represented by the CIF card [CIF]
data_Li4Fe3TeO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.995
_cell_length_b   6.649
_cell_length_c   4.992
_cell_angle_alpha   90.483
_cell_angle_beta   90.667
_cell_angle_gamma   92.779
_symmetry_Int_Tables_number   1
_cell_volume   198.711
_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  0.605  0.973  0.094  1.0
  Li  Li1  1  0.136  0.507  0.418  1.0
  Li  Li2  1  0.884  0.985  0.547  1.0
  Li  Li3  1  0.373  0.504  0.911  1.0
  Fe  Fe4  1  0.148  0.966  0.094  1.0
  Fe  Fe5  1  0.619  0.510  0.422  1.0
  Fe  Fe6  1  0.374  0.003  0.591  1.0
  Te  Te7  1  0.863  0.434  0.913  1.0
  O  O8  1  0.124  0.403  0.078  1.0
  O  O9  1  0.615  0.407  0.117  1.0
  O  O10  1  0.138  0.907  0.419  1.0
  O  O11  1  0.607  0.893  0.428  1.0
  O  O12  1  0.396  0.391  0.586  1.0
  O  O13  1  0.877  0.423  0.558  1.0
  O  O14  1  0.370  0.900  0.893  1.0
  O  O15  1  0.871  0.820  0.930  1.0
[/CIF]
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