The crystal structure described by Li4Fe(WO4)3 crystallizes in the monoclinic C2 space group. There are six inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(11), one O(12), one O(3), one O(4), one O(5), and one O(6) atom to form distorted LiO6 octahedra that share  a cornercorner with one W(2)O6 octahedra,  a cornercorner with one W(3)O6 octahedra, corners with two equivalent W(1)O6 octahedra, corners with two equivalent W(4)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra, and edges with two equivalent W(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-57°. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to two equivalent O(11) and two equivalent O(5) atoms. In the third Li site, Li(3) is bonded in a 4-coordinate geometry to two equivalent O(12) and two equivalent O(6) atoms. In the fourth Li site, Li(4) is bonded in a 4-coordinate geometry to one O(1), one O(2), one O(7), and one O(8) atom. In the fifth Li site, Li(5) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(7), and two equivalent O(9) atoms. In the sixth Li site, Li(6) is bonded in a 6-coordinate geometry to two equivalent O(10), two equivalent O(2), and two equivalent O(8) atoms. There are five inequivalent W sites. In the first W site, W(1) is bonded to two equivalent O(11), two equivalent O(3), and two equivalent O(7) atoms to form WO6 octahedra that share corners with two equivalent W(5)O6 octahedra, corners with four equivalent Li(1)O6 octahedra, and edges with two equivalent W(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-54°. In the second W site, W(2) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(7) atoms to form distorted WO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, and edges with two equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-57°. In the third W site, W(3) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(8) atoms to form distorted WO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, and edges with two equivalent W(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-56°. In the fourth W site, W(4) is bonded to two equivalent O(12), two equivalent O(4), and two equivalent O(8) atoms to form WO6 octahedra that share corners with two equivalent W(5)O6 octahedra, corners with four equivalent Li(1)O6 octahedra, and edges with two equivalent W(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-54°. In the fifth W site, W(5) is bonded to one O(10), one O(11), one O(12), one O(5), one O(6), and one O(9) atom to form WO6 octahedra that share  a cornercorner with one W(1)O6 octahedra,  a cornercorner with one W(4)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, and edges with two equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles are 43°. Fe(1) is bonded to one O(1), one O(10), one O(2), one O(5), one O(6), and one O(9) atom to form FeO6 octahedra that share  a cornercorner with one W(2)O6 octahedra,  a cornercorner with one W(3)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra, and edges with two equivalent W(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-48°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to one Li(4), one Li(5), one W(2), and one Fe(1) atom to form distorted corner-sharing OLi2FeW trigonal pyramids. In the second O site, O(2) is bonded to one Li(4), one Li(6), one W(3), and one Fe(1) atom to form distorted corner-sharing OLi2FeW trigonal pyramids. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(1), one W(1), and one W(2) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Li(1), one W(3), and one W(4) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one W(5), and one Fe(1) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Li(1), one Li(3), one W(5), and one Fe(1) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Li(4), one Li(5), one W(1), and one W(2) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Li(4), one Li(6), one W(3), and one W(4) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Li(5), one W(5), and one Fe(1) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Li(6), one W(5), 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(2), one W(1), and one W(5) atom. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one Li(1), one Li(3), one W(4), and one W(5) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li4Fe(WO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.048
_cell_length_b   5.119
_cell_length_c   8.858
_cell_angle_alpha   89.994
_cell_angle_beta   89.998
_cell_angle_gamma   90.659
_symmetry_Int_Tables_number   1
_cell_volume   228.882
_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
  Fe  Fe0  1  0.000  1.000  0.101  1.0
  Li  Li1  1  0.000  0.000  0.712  1.0
  Li  Li2  1  0.500  0.000  0.840  1.0
  Li  Li3  1  1.000  0.500  0.336  1.0
  Li  Li4  1  0.500  0.500  0.194  1.0
  O  O5  1  0.737  0.156  0.266  1.0
  O  O6  1  0.263  0.844  0.266  1.0
  O  O7  1  0.699  0.184  0.580  1.0
  O  O8  1  0.301  0.816  0.580  1.0
  O  O9  1  0.810  0.187  0.900  1.0
  O  O10  1  0.190  0.813  0.900  1.0
  O  O11  1  0.297  0.318  0.434  1.0
  O  O12  1  0.703  0.682  0.434  1.0
  O  O13  1  0.223  0.345  0.075  1.0
  O  O14  1  0.777  0.655  0.074  1.0
  O  O15  1  0.256  0.355  0.751  1.0
  O  O16  1  0.744  0.645  0.751  1.0
  W  W17  1  0.500  0.500  0.614  1.0
  W  W18  1  0.500  0.000  0.398  1.0
  W  W19  1  1.000  0.500  0.934  1.0
[/CIF]
.
The crystal structure described by Li4Fe(WO4)3 crystallizes in the monoclinic C2 space group. There are six inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(11), one O(12), one O(3), one O(4), one O(5), and one O(6) atom to form distorted LiO6 octahedra that share  a cornercorner with one W(2)O6 octahedra,  a cornercorner with one W(3)O6 octahedra, corners with two equivalent W(1)O6 octahedra, corners with two equivalent W(4)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra, and edges with two equivalent W(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-57°. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to two equivalent O(11) and two equivalent O(5) atoms. In the third Li site, Li(3) is bonded in a 4-coordinate geometry to two equivalent O(12) and two equivalent O(6) atoms. In the fourth Li site, Li(4) is bonded in a 4-coordinate geometry to one O(1), one O(2), one O(7), and one O(8) atom. In the fifth Li site, Li(5) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(7), and two equivalent O(9) atoms. In the sixth Li site, Li(6) is bonded in a 6-coordinate geometry to two equivalent O(10), two equivalent O(2), and two equivalent O(8) atoms. There are five inequivalent W sites. In the first W site, W(1) is bonded to two equivalent O(11), two equivalent O(3), and two equivalent O(7) atoms to form WO6 octahedra that share corners with two equivalent W(5)O6 octahedra, corners with four equivalent Li(1)O6 octahedra, and edges with two equivalent W(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-54°. In the second W site, W(2) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(7) atoms to form distorted WO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, and edges with two equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-57°. In the third W site, W(3) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(8) atoms to form distorted WO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, and edges with two equivalent W(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-56°. In the fourth W site, W(4) is bonded to two equivalent O(12), two equivalent O(4), and two equivalent O(8) atoms to form WO6 octahedra that share corners with two equivalent W(5)O6 octahedra, corners with four equivalent Li(1)O6 octahedra, and edges with two equivalent W(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-54°. In the fifth W site, W(5) is bonded to one O(10), one O(11), one O(12), one O(5), one O(6), and one O(9) atom to form WO6 octahedra that share  a cornercorner with one W(1)O6 octahedra,  a cornercorner with one W(4)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, and edges with two equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles are 43°. Fe(1) is bonded to one O(1), one O(10), one O(2), one O(5), one O(6), and one O(9) atom to form FeO6 octahedra that share  a cornercorner with one W(2)O6 octahedra,  a cornercorner with one W(3)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra, and edges with two equivalent W(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-48°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to one Li(4), one Li(5), one W(2), and one Fe(1) atom to form distorted corner-sharing OLi2FeW trigonal pyramids. In the second O site, O(2) is bonded to one Li(4), one Li(6), one W(3), and one Fe(1) atom to form distorted corner-sharing OLi2FeW trigonal pyramids. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(1), one W(1), and one W(2) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Li(1), one W(3), and one W(4) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one W(5), and one Fe(1) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Li(1), one Li(3), one W(5), and one Fe(1) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Li(4), one Li(5), one W(1), and one W(2) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Li(4), one Li(6), one W(3), and one W(4) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Li(5), one W(5), and one Fe(1) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Li(6), one W(5), 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(2), one W(1), and one W(5) atom. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one Li(1), one Li(3), one W(4), and one W(5) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li4Fe(WO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.048
_cell_length_b   5.119
_cell_length_c   8.858
_cell_angle_alpha   89.994
_cell_angle_beta   89.998
_cell_angle_gamma   90.659
_symmetry_Int_Tables_number   1
_cell_volume   228.882
_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
  Fe  Fe0  1  0.000  1.000  0.101  1.0
  Li  Li1  1  0.000  0.000  0.712  1.0
  Li  Li2  1  0.500  0.000  0.840  1.0
  Li  Li3  1  1.000  0.500  0.336  1.0
  Li  Li4  1  0.500  0.500  0.194  1.0
  O  O5  1  0.737  0.156  0.266  1.0
  O  O6  1  0.263  0.844  0.266  1.0
  O  O7  1  0.699  0.184  0.580  1.0
  O  O8  1  0.301  0.816  0.580  1.0
  O  O9  1  0.810  0.187  0.900  1.0
  O  O10  1  0.190  0.813  0.900  1.0
  O  O11  1  0.297  0.318  0.434  1.0
  O  O12  1  0.703  0.682  0.434  1.0
  O  O13  1  0.223  0.345  0.075  1.0
  O  O14  1  0.777  0.655  0.074  1.0
  O  O15  1  0.256  0.355  0.751  1.0
  O  O16  1  0.744  0.645  0.751  1.0
  W  W17  1  0.500  0.500  0.614  1.0
  W  W18  1  0.500  0.000  0.398  1.0
  W  W19  1  1.000  0.500  0.934  1.0
[/CIF]
.