The compound described by Li4FeBi(TeO6)2 is Ilmenite-derived structured and crystallizes in the triclinic P1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to one O(1), one O(11), one O(2), one O(3), one O(5), and one O(9) atom. In the second Li site, Li(2) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(12), one O(2), one O(4), and one O(6) atom. In the third Li site, Li(3) is bonded in a 4-coordinate geometry to one O(12), one O(4), one O(6), and one O(8) atom. In the fourth Li site, Li(4) is bonded in a 6-coordinate geometry to one O(11), one O(3), one O(5), one O(7), one O(8), and one O(9) atom. Fe(1) is bonded to one O(2), one O(3), one O(5), one O(6), one O(8), and one O(9) atom to form FeO6 octahedra that share corners with two equivalent Te(2)O6 octahedra and corners with four equivalent Te(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 34-40°. Bi(1) is bonded to one O(1), one O(10), one O(11), one O(12), one O(4), and one O(7) atom to form BiO6 octahedra that share corners with two equivalent Te(1)O6 octahedra and corners with four equivalent Te(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-47°. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded to one O(11), one O(12), one O(2), one O(3), one O(8), and one O(9) atom to form TeO6 octahedra that share corners with two equivalent Bi(1)O6 octahedra and corners with four equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 34-45°. In the second Te site, Te(2) is bonded to one O(1), one O(10), one O(4), one O(5), one O(6), and one O(7) atom to form TeO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra and corners with four equivalent Bi(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 39-47°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one Bi(1), and one Te(2) atom. In the second O site, O(2) is bonded in a distorted see-saw-like geometry to one Li(1), one Li(2), one Fe(1), and one Te(1) atom. In the third O site, O(3) is bonded in a distorted see-saw-like geometry to one Li(1), one Li(4), one Fe(1), and one Te(1) atom. In the fourth O site, O(4) is bonded to one Li(2), one Li(3), one Bi(1), and one Te(2) atom to form a mixture of distorted edge and corner-sharing OLi2BiTe tetrahedra. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Li(1), one Li(4), one Fe(1), and one Te(2) atom. In the sixth O site, O(6) is bonded to one Li(2), one Li(3), one Fe(1), and one Te(2) atom to form distorted OLi2FeTe tetrahedra that share  a cornercorner with one O(4)Li2BiTe tetrahedra, corners with two equivalent O(8)Li2FeTe trigonal pyramids, and  an edgeedge with one O(4)Li2BiTe tetrahedra. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Li(4), one Bi(1), and one Te(2) atom. In the eighth O site, O(8) is bonded to one Li(3), one Li(4), one Fe(1), and one Te(1) atom to form distorted OLi2FeTe trigonal pyramids that share  a cornercorner with one O(4)Li2BiTe tetrahedra and corners with two equivalent O(6)Li2FeTe tetrahedra. In the ninth O site, O(9) is bonded in a distorted see-saw-like geometry to one Li(1), one Li(4), one Fe(1), and one Te(1) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Li(2), one Bi(1), and one Te(2) atom. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Li(1), one Li(4), one Bi(1), and one Te(1) atom. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one Li(2), one Li(3), one Bi(1), and one Te(1) atom. is represented by the CIF card [CIF]
data_Li4FeBi(TeO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.241
_cell_length_b   5.500
_cell_length_c   7.624
_cell_angle_alpha   86.096
_cell_angle_beta   89.981
_cell_angle_gamma   89.789
_symmetry_Int_Tables_number   1
_cell_volume   219.233
_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  0.507  0.088  0.312  1.0
  Li  Li1  1  0.498  0.090  0.764  1.0
  Li  Li2  1  0.992  0.537  0.748  1.0
  Li  Li3  1  0.002  0.557  0.308  1.0
  Fe  Fe4  1  0.501  0.516  0.502  1.0
  Bi  Bi5  1  0.999  0.003  0.005  1.0
  Te  Te6  1  0.001  0.001  0.502  1.0
  Te  Te7  1  0.499  0.504  0.001  1.0
  O  O8  1  0.649  0.178  0.067  1.0
  O  O9  1  0.303  0.181  0.551  1.0
  O  O10  1  0.803  0.291  0.437  1.0
  O  O11  1  0.199  0.324  0.912  1.0
  O  O12  1  0.371  0.492  0.236  1.0
  O  O13  1  0.624  0.470  0.762  1.0
  O  O14  1  0.822  0.652  0.067  1.0
  O  O15  1  0.178  0.689  0.548  1.0
  O  O16  1  0.713  0.806  0.430  1.0
  O  O17  1  0.332  0.808  0.916  1.0
  O  O18  1  0.147  0.983  0.262  1.0
  O  O19  1  0.859  0.971  0.742  1.0
[/CIF]
.
The compound described by Li4FeBi(TeO6)2 is Ilmenite-derived structured and crystallizes in the triclinic P1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to one O(1), one O(11), one O(2), one O(3), one O(5), and one O(9) atom. In the second Li site, Li(2) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(12), one O(2), one O(4), and one O(6) atom. In the third Li site, Li(3) is bonded in a 4-coordinate geometry to one O(12), one O(4), one O(6), and one O(8) atom. In the fourth Li site, Li(4) is bonded in a 6-coordinate geometry to one O(11), one O(3), one O(5), one O(7), one O(8), and one O(9) atom. Fe(1) is bonded to one O(2), one O(3), one O(5), one O(6), one O(8), and one O(9) atom to form FeO6 octahedra that share corners with two equivalent Te(2)O6 octahedra and corners with four equivalent Te(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 34-40°. Bi(1) is bonded to one O(1), one O(10), one O(11), one O(12), one O(4), and one O(7) atom to form BiO6 octahedra that share corners with two equivalent Te(1)O6 octahedra and corners with four equivalent Te(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-47°. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded to one O(11), one O(12), one O(2), one O(3), one O(8), and one O(9) atom to form TeO6 octahedra that share corners with two equivalent Bi(1)O6 octahedra and corners with four equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 34-45°. In the second Te site, Te(2) is bonded to one O(1), one O(10), one O(4), one O(5), one O(6), and one O(7) atom to form TeO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra and corners with four equivalent Bi(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 39-47°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one Bi(1), and one Te(2) atom. In the second O site, O(2) is bonded in a distorted see-saw-like geometry to one Li(1), one Li(2), one Fe(1), and one Te(1) atom. In the third O site, O(3) is bonded in a distorted see-saw-like geometry to one Li(1), one Li(4), one Fe(1), and one Te(1) atom. In the fourth O site, O(4) is bonded to one Li(2), one Li(3), one Bi(1), and one Te(2) atom to form a mixture of distorted edge and corner-sharing OLi2BiTe tetrahedra. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Li(1), one Li(4), one Fe(1), and one Te(2) atom. In the sixth O site, O(6) is bonded to one Li(2), one Li(3), one Fe(1), and one Te(2) atom to form distorted OLi2FeTe tetrahedra that share  a cornercorner with one O(4)Li2BiTe tetrahedra, corners with two equivalent O(8)Li2FeTe trigonal pyramids, and  an edgeedge with one O(4)Li2BiTe tetrahedra. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Li(4), one Bi(1), and one Te(2) atom. In the eighth O site, O(8) is bonded to one Li(3), one Li(4), one Fe(1), and one Te(1) atom to form distorted OLi2FeTe trigonal pyramids that share  a cornercorner with one O(4)Li2BiTe tetrahedra and corners with two equivalent O(6)Li2FeTe tetrahedra. In the ninth O site, O(9) is bonded in a distorted see-saw-like geometry to one Li(1), one Li(4), one Fe(1), and one Te(1) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Li(2), one Bi(1), and one Te(2) atom. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Li(1), one Li(4), one Bi(1), and one Te(1) atom. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one Li(2), one Li(3), one Bi(1), and one Te(1) atom. is represented by the CIF card [CIF]
data_Li4FeBi(TeO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.241
_cell_length_b   5.500
_cell_length_c   7.624
_cell_angle_alpha   86.096
_cell_angle_beta   89.981
_cell_angle_gamma   89.789
_symmetry_Int_Tables_number   1
_cell_volume   219.233
_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  0.507  0.088  0.312  1.0
  Li  Li1  1  0.498  0.090  0.764  1.0
  Li  Li2  1  0.992  0.537  0.748  1.0
  Li  Li3  1  0.002  0.557  0.308  1.0
  Fe  Fe4  1  0.501  0.516  0.502  1.0
  Bi  Bi5  1  0.999  0.003  0.005  1.0
  Te  Te6  1  0.001  0.001  0.502  1.0
  Te  Te7  1  0.499  0.504  0.001  1.0
  O  O8  1  0.649  0.178  0.067  1.0
  O  O9  1  0.303  0.181  0.551  1.0
  O  O10  1  0.803  0.291  0.437  1.0
  O  O11  1  0.199  0.324  0.912  1.0
  O  O12  1  0.371  0.492  0.236  1.0
  O  O13  1  0.624  0.470  0.762  1.0
  O  O14  1  0.822  0.652  0.067  1.0
  O  O15  1  0.178  0.689  0.548  1.0
  O  O16  1  0.713  0.806  0.430  1.0
  O  O17  1  0.332  0.808  0.916  1.0
  O  O18  1  0.147  0.983  0.262  1.0
  O  O19  1  0.859  0.971  0.742  1.0
[/CIF]
.