The structure described by Li4VFe(WO6)2 crystallizes in the triclinic P1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded in a distorted trigonal planar geometry to one O(1), one O(11), one O(4), one O(7), and one O(8) atom. In the second Li site, Li(2) is bonded in a 6-coordinate geometry to one O(10), one O(12), one O(2), one O(3), one O(5), and one O(6) atom. In the third Li site, Li(3) is bonded in a 6-coordinate geometry to one O(10), one O(2), one O(5), one O(6), one O(8), and one O(9) atom. In the fourth Li site, Li(4) is bonded in a distorted trigonal planar geometry to one O(1), one O(10), one O(11), and one O(3) atom. V(1) is bonded to one O(1), one O(12), one O(4), one O(6), one O(7), and one O(9) atom to form VO6 octahedra that share corners with two equivalent W(2)O6 octahedra and corners with four equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 33-40°. There are two inequivalent W sites. In the first W site, W(1) is bonded to one O(1), one O(11), one O(12), one O(2), one O(4), and one O(9) atom to form WO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra and corners with four equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 33-40°. In the second W site, W(2) is bonded to one O(10), one O(3), one O(5), one O(6), one O(7), and one O(8) atom to form WO6 octahedra that share corners with two equivalent V(1)O6 octahedra and corners with four equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 30-37°. Fe(1) is bonded to one O(10), one O(11), one O(2), one O(3), one O(5), and one O(8) atom to form FeO6 octahedra that share corners with two equivalent W(1)O6 octahedra and corners with four equivalent W(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 30-37°. 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(4), one V(1), and one W(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Li(2), one Li(3), one W(1), and one Fe(1) atom. In the third O site, O(3) is bonded in a trigonal pyramidal geometry to one Li(2), one Li(4), one W(2), and one Fe(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Li(1), one V(1), and one W(1) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Li(2), one Li(3), one W(2), and one Fe(1) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Li(2), one Li(3), one V(1), and one W(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Li(1), one V(1), and one W(2) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Li(1), one Li(3), one W(2), and one Fe(1) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Li(3), one V(1), and one W(1) atom. In the tenth O site, O(10) is bonded in a 5-coordinate geometry to one Li(2), one Li(3), one Li(4), one W(2), and one Fe(1) atom. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Li(1), one Li(4), one W(1), and one Fe(1) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Li(2), one V(1), and one W(1) atom. is represented by the CIF card [CIF]
data_Li4VFe(WO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.133
_cell_length_b   5.374
_cell_length_c   7.400
_cell_angle_alpha   86.506
_cell_angle_beta   89.941
_cell_angle_gamma   89.984
_symmetry_Int_Tables_number   1
_cell_volume   203.718
_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  1.000  0.541  0.257  1.0
  Li  Li1  1  0.502  0.064  0.798  1.0
  Li  Li2  1  0.004  0.561  0.792  1.0
  Li  Li3  1  0.496  0.989  0.234  1.0
  V  V4  1  0.501  0.468  0.492  1.0
  Fe  Fe5  1  1.000  0.010  0.003  1.0
  W  W6  1  0.992  0.977  0.502  1.0
  W  W7  1  0.505  0.507  0.991  1.0
  O  O8  1  0.689  0.806  0.439  1.0
  O  O9  1  0.889  0.004  0.748  1.0
  O  O10  1  0.688  0.199  0.054  1.0
  O  O11  1  0.801  0.314  0.440  1.0
  O  O12  1  0.201  0.310  0.943  1.0
  O  O13  1  0.617  0.500  0.744  1.0
  O  O14  1  0.387  0.501  0.259  1.0
  O  O15  1  0.805  0.697  0.054  1.0
  O  O16  1  0.191  0.689  0.559  1.0
  O  O17  1  0.303  0.806  0.947  1.0
  O  O18  1  0.113  0.001  0.258  1.0
  O  O19  1  0.316  0.198  0.558  1.0
[/CIF]
.
The structure described by Li4VFe(WO6)2 crystallizes in the triclinic P1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded in a distorted trigonal planar geometry to one O(1), one O(11), one O(4), one O(7), and one O(8) atom. In the second Li site, Li(2) is bonded in a 6-coordinate geometry to one O(10), one O(12), one O(2), one O(3), one O(5), and one O(6) atom. In the third Li site, Li(3) is bonded in a 6-coordinate geometry to one O(10), one O(2), one O(5), one O(6), one O(8), and one O(9) atom. In the fourth Li site, Li(4) is bonded in a distorted trigonal planar geometry to one O(1), one O(10), one O(11), and one O(3) atom. V(1) is bonded to one O(1), one O(12), one O(4), one O(6), one O(7), and one O(9) atom to form VO6 octahedra that share corners with two equivalent W(2)O6 octahedra and corners with four equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 33-40°. There are two inequivalent W sites. In the first W site, W(1) is bonded to one O(1), one O(11), one O(12), one O(2), one O(4), and one O(9) atom to form WO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra and corners with four equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 33-40°. In the second W site, W(2) is bonded to one O(10), one O(3), one O(5), one O(6), one O(7), and one O(8) atom to form WO6 octahedra that share corners with two equivalent V(1)O6 octahedra and corners with four equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 30-37°. Fe(1) is bonded to one O(10), one O(11), one O(2), one O(3), one O(5), and one O(8) atom to form FeO6 octahedra that share corners with two equivalent W(1)O6 octahedra and corners with four equivalent W(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 30-37°. 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(4), one V(1), and one W(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Li(2), one Li(3), one W(1), and one Fe(1) atom. In the third O site, O(3) is bonded in a trigonal pyramidal geometry to one Li(2), one Li(4), one W(2), and one Fe(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Li(1), one V(1), and one W(1) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Li(2), one Li(3), one W(2), and one Fe(1) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Li(2), one Li(3), one V(1), and one W(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Li(1), one V(1), and one W(2) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Li(1), one Li(3), one W(2), and one Fe(1) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Li(3), one V(1), and one W(1) atom. In the tenth O site, O(10) is bonded in a 5-coordinate geometry to one Li(2), one Li(3), one Li(4), one W(2), and one Fe(1) atom. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Li(1), one Li(4), one W(1), and one Fe(1) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Li(2), one V(1), and one W(1) atom. is represented by the CIF card [CIF]
data_Li4VFe(WO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.133
_cell_length_b   5.374
_cell_length_c   7.400
_cell_angle_alpha   86.506
_cell_angle_beta   89.941
_cell_angle_gamma   89.984
_symmetry_Int_Tables_number   1
_cell_volume   203.718
_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  1.000  0.541  0.257  1.0
  Li  Li1  1  0.502  0.064  0.798  1.0
  Li  Li2  1  0.004  0.561  0.792  1.0
  Li  Li3  1  0.496  0.989  0.234  1.0
  V  V4  1  0.501  0.468  0.492  1.0
  Fe  Fe5  1  1.000  0.010  0.003  1.0
  W  W6  1  0.992  0.977  0.502  1.0
  W  W7  1  0.505  0.507  0.991  1.0
  O  O8  1  0.689  0.806  0.439  1.0
  O  O9  1  0.889  0.004  0.748  1.0
  O  O10  1  0.688  0.199  0.054  1.0
  O  O11  1  0.801  0.314  0.440  1.0
  O  O12  1  0.201  0.310  0.943  1.0
  O  O13  1  0.617  0.500  0.744  1.0
  O  O14  1  0.387  0.501  0.259  1.0
  O  O15  1  0.805  0.697  0.054  1.0
  O  O16  1  0.191  0.689  0.559  1.0
  O  O17  1  0.303  0.806  0.947  1.0
  O  O18  1  0.113  0.001  0.258  1.0
  O  O19  1  0.316  0.198  0.558  1.0
[/CIF]
.