The crystal structure described by Li4Mn3Fe3(WO8)2 is Hausmannite-derived structured and crystallizes in the monoclinic Cm space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(12), one O(3), and two equivalent O(9) atoms to form LiO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, corners with three equivalent W(2)O6 octahedra, and corners with four equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-63°. In the second Li site, Li(2) is bonded to one O(5), one O(7), and two equivalent O(11) atoms to form LiO4 tetrahedra that share  a cornercorner with one Fe(2)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with three equivalent W(2)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra, and edges with two equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 53-66°. In the third Li site, Li(3) is bonded to one O(4), one O(8), and two equivalent O(1) atoms to form distorted LiO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with three equivalent W(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra, and edges with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 61-67°. In the fourth Li site, Li(4) is bonded to one O(10), one O(2), and two equivalent O(6) atoms to form LiO4 tetrahedra that share  a cornercorner with one Fe(2)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with three equivalent W(1)O6 octahedra, and corners with four equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 53-61°. There are two inequivalent W sites. In the first W site, W(1) is bonded to one O(2), one O(8), two equivalent O(1), and two equivalent O(6) atoms to form WO6 octahedra that share corners with two equivalent Fe(2)O6 octahedra, corners with four equivalent Mn(2)O6 octahedra, corners with three equivalent Li(3)O4 tetrahedra, corners with three equivalent Li(4)O4 tetrahedra,  an edgeedge with one Mn(1)O6 octahedra, and edges with two equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 39-56°. In the second W site, W(2) is bonded to one O(12), one O(7), two equivalent O(11), and two equivalent O(9) atoms to form distorted WO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with four equivalent Fe(1)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(2)O4 tetrahedra,  an edgeedge with one Fe(2)O6 octahedra, and edges with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-53°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(3), one O(4), two equivalent O(11), and two equivalent O(6) atoms to form MnO6 octahedra that share corners with two equivalent W(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one W(1)O6 octahedra, edges with four equivalent Fe(1)O6 octahedra, and  an edgeedge with one Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 53°. In the second Mn site, Mn(2) is bonded to one O(1), one O(10), one O(12), one O(5), one O(8), and one O(9) atom to form distorted MnO6 octahedra that share corners with two equivalent W(1)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one W(2)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, and  an edgeedge with one Li(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 53-56°. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(11), one O(2), one O(3), one O(4), one O(6), and one O(7) atom to form FeO6 octahedra that share corners with two equivalent W(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one W(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, and  an edgeedge with one Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 48-51°. In the second Fe site, Fe(2) is bonded to one O(10), one O(5), two equivalent O(1), and two equivalent O(9) atoms to form FeO6 octahedra that share corners with two equivalent W(1)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one W(2)O6 octahedra, edges with four equivalent Mn(2)O6 octahedra, and  an edgeedge with one Li(3)O4 tetrahedra. The corner-sharing octahedral tilt angles are 39°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), one W(1), one Mn(2), and one Fe(2) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Li(4), one W(1), and two equivalent Fe(1) atoms. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Mn(1), and two equivalent Fe(1) atoms. In the fourth O site, O(4) is bonded to one Li(3), one Mn(1), and two equivalent Fe(1) atoms to form corner-sharing OLiMnFe2 tetrahedra. In the fifth O site, O(5) is bonded to one Li(2), two equivalent Mn(2), and one Fe(2) atom to form OLiMn2Fe tetrahedra that share corners with three equivalent O(10)LiMn2Fe tetrahedra and corners with four equivalent O(9)LiMnFeW tetrahedra. In the sixth O site, O(6) is bonded to one Li(4), one W(1), one Mn(1), and one Fe(1) atom to form distorted OLiMnFeW trigonal pyramids that share  a cornercorner with one O(10)LiMn2Fe tetrahedra, corners with two equivalent O(4)LiMnFe2 tetrahedra,  a cornercorner with one O(6)LiMnFeW trigonal pyramid, and  an edgeedge with one O(6)LiMnFeW trigonal pyramid. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one Li(2), one W(2), and two equivalent Fe(1) atoms. In the eighth O site, O(8) is bonded in a rectangular see-saw-like geometry to one Li(3), one W(1), and two equivalent Mn(2) atoms. In the ninth O site, O(9) is bonded to one Li(1), one W(2), one Mn(2), and one Fe(2) atom to form distorted OLiMnFeW tetrahedra that share  a cornercorner with one O(9)LiMnFeW tetrahedra, corners with two equivalent O(5)LiMn2Fe tetrahedra,  an edgeedge with one O(10)LiMn2Fe tetrahedra, and  an edgeedge with one O(9)LiMnFeW tetrahedra. In the tenth O site, O(10) is bonded to one Li(4), two equivalent Mn(2), and one Fe(2) atom to form distorted OLiMn2Fe tetrahedra that share corners with three equivalent O(5)LiMn2Fe tetrahedra, corners with two equivalent O(6)LiMnFeW trigonal pyramids, and edges with two equivalent O(9)LiMnFeW tetrahedra. In the eleventh O site, O(11) is bonded in a rectangular see-saw-like geometry to one Li(2), one W(2), one Mn(1), and one Fe(1) atom. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one Li(1), one W(2), and two equivalent Mn(2) atoms. is represented by the CIF card [CIF]
data_Li4Mn3Fe3(WO8)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.941
_cell_length_b   5.857
_cell_length_c   9.758
_cell_angle_alpha   89.974
_cell_angle_beta   92.068
_cell_angle_gamma   119.490
_symmetry_Int_Tables_number   1
_cell_volume   295.265
_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  0.325  0.662  0.903  1.0
  Li  Li1  1  0.011  0.005  0.988  1.0
  Li  Li2  1  0.007  0.004  0.490  1.0
  Li  Li3  1  0.658  0.329  0.410  1.0
  Mn  Mn4  1  0.660  0.830  0.210  1.0
  Mn  Mn5  1  0.824  0.660  0.716  1.0
  Mn  Mn6  1  0.825  0.165  0.715  1.0
  Fe  Fe7  1  0.170  0.822  0.219  1.0
  Fe  Fe8  1  0.170  0.348  0.219  1.0
  Fe  Fe9  1  0.341  0.170  0.712  1.0
  W  W10  1  0.328  0.664  0.488  1.0
  W  W11  1  0.645  0.322  0.988  1.0
  O  O12  1  0.210  0.855  0.593  1.0
  O  O13  1  0.031  0.515  0.363  1.0
  O  O14  1  0.342  0.671  0.109  1.0
  O  O15  1  0.990  0.995  0.298  1.0
  O  O16  1  0.012  0.006  0.799  1.0
  O  O17  1  0.210  0.355  0.593  1.0
  O  O18  1  0.486  0.962  0.352  1.0
  O  O19  1  0.486  0.524  0.352  1.0
  O  O20  1  0.348  0.174  0.091  1.0
  O  O21  1  0.677  0.838  0.595  1.0
  O  O22  1  0.496  0.460  0.845  1.0
  O  O23  1  0.496  0.036  0.846  1.0
  O  O24  1  0.659  0.329  0.616  1.0
  O  O25  1  0.822  0.657  0.078  1.0
  O  O26  1  0.951  0.476  0.841  1.0
  O  O27  1  0.822  0.165  0.078  1.0
[/CIF]
.
The crystal structure described by Li4Mn3Fe3(WO8)2 is Hausmannite-derived structured and crystallizes in the monoclinic Cm space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(12), one O(3), and two equivalent O(9) atoms to form LiO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, corners with three equivalent W(2)O6 octahedra, and corners with four equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-63°. In the second Li site, Li(2) is bonded to one O(5), one O(7), and two equivalent O(11) atoms to form LiO4 tetrahedra that share  a cornercorner with one Fe(2)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with three equivalent W(2)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra, and edges with two equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 53-66°. In the third Li site, Li(3) is bonded to one O(4), one O(8), and two equivalent O(1) atoms to form distorted LiO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with three equivalent W(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra, and edges with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 61-67°. In the fourth Li site, Li(4) is bonded to one O(10), one O(2), and two equivalent O(6) atoms to form LiO4 tetrahedra that share  a cornercorner with one Fe(2)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with three equivalent W(1)O6 octahedra, and corners with four equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 53-61°. There are two inequivalent W sites. In the first W site, W(1) is bonded to one O(2), one O(8), two equivalent O(1), and two equivalent O(6) atoms to form WO6 octahedra that share corners with two equivalent Fe(2)O6 octahedra, corners with four equivalent Mn(2)O6 octahedra, corners with three equivalent Li(3)O4 tetrahedra, corners with three equivalent Li(4)O4 tetrahedra,  an edgeedge with one Mn(1)O6 octahedra, and edges with two equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 39-56°. In the second W site, W(2) is bonded to one O(12), one O(7), two equivalent O(11), and two equivalent O(9) atoms to form distorted WO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with four equivalent Fe(1)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(2)O4 tetrahedra,  an edgeedge with one Fe(2)O6 octahedra, and edges with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-53°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(3), one O(4), two equivalent O(11), and two equivalent O(6) atoms to form MnO6 octahedra that share corners with two equivalent W(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one W(1)O6 octahedra, edges with four equivalent Fe(1)O6 octahedra, and  an edgeedge with one Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 53°. In the second Mn site, Mn(2) is bonded to one O(1), one O(10), one O(12), one O(5), one O(8), and one O(9) atom to form distorted MnO6 octahedra that share corners with two equivalent W(1)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one W(2)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, and  an edgeedge with one Li(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 53-56°. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(11), one O(2), one O(3), one O(4), one O(6), and one O(7) atom to form FeO6 octahedra that share corners with two equivalent W(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one W(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, and  an edgeedge with one Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 48-51°. In the second Fe site, Fe(2) is bonded to one O(10), one O(5), two equivalent O(1), and two equivalent O(9) atoms to form FeO6 octahedra that share corners with two equivalent W(1)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one W(2)O6 octahedra, edges with four equivalent Mn(2)O6 octahedra, and  an edgeedge with one Li(3)O4 tetrahedra. The corner-sharing octahedral tilt angles are 39°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), one W(1), one Mn(2), and one Fe(2) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Li(4), one W(1), and two equivalent Fe(1) atoms. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Mn(1), and two equivalent Fe(1) atoms. In the fourth O site, O(4) is bonded to one Li(3), one Mn(1), and two equivalent Fe(1) atoms to form corner-sharing OLiMnFe2 tetrahedra. In the fifth O site, O(5) is bonded to one Li(2), two equivalent Mn(2), and one Fe(2) atom to form OLiMn2Fe tetrahedra that share corners with three equivalent O(10)LiMn2Fe tetrahedra and corners with four equivalent O(9)LiMnFeW tetrahedra. In the sixth O site, O(6) is bonded to one Li(4), one W(1), one Mn(1), and one Fe(1) atom to form distorted OLiMnFeW trigonal pyramids that share  a cornercorner with one O(10)LiMn2Fe tetrahedra, corners with two equivalent O(4)LiMnFe2 tetrahedra,  a cornercorner with one O(6)LiMnFeW trigonal pyramid, and  an edgeedge with one O(6)LiMnFeW trigonal pyramid. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one Li(2), one W(2), and two equivalent Fe(1) atoms. In the eighth O site, O(8) is bonded in a rectangular see-saw-like geometry to one Li(3), one W(1), and two equivalent Mn(2) atoms. In the ninth O site, O(9) is bonded to one Li(1), one W(2), one Mn(2), and one Fe(2) atom to form distorted OLiMnFeW tetrahedra that share  a cornercorner with one O(9)LiMnFeW tetrahedra, corners with two equivalent O(5)LiMn2Fe tetrahedra,  an edgeedge with one O(10)LiMn2Fe tetrahedra, and  an edgeedge with one O(9)LiMnFeW tetrahedra. In the tenth O site, O(10) is bonded to one Li(4), two equivalent Mn(2), and one Fe(2) atom to form distorted OLiMn2Fe tetrahedra that share corners with three equivalent O(5)LiMn2Fe tetrahedra, corners with two equivalent O(6)LiMnFeW trigonal pyramids, and edges with two equivalent O(9)LiMnFeW tetrahedra. In the eleventh O site, O(11) is bonded in a rectangular see-saw-like geometry to one Li(2), one W(2), one Mn(1), and one Fe(1) atom. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one Li(1), one W(2), and two equivalent Mn(2) atoms. is represented by the CIF card [CIF]
data_Li4Mn3Fe3(WO8)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.941
_cell_length_b   5.857
_cell_length_c   9.758
_cell_angle_alpha   89.974
_cell_angle_beta   92.068
_cell_angle_gamma   119.490
_symmetry_Int_Tables_number   1
_cell_volume   295.265
_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  0.325  0.662  0.903  1.0
  Li  Li1  1  0.011  0.005  0.988  1.0
  Li  Li2  1  0.007  0.004  0.490  1.0
  Li  Li3  1  0.658  0.329  0.410  1.0
  Mn  Mn4  1  0.660  0.830  0.210  1.0
  Mn  Mn5  1  0.824  0.660  0.716  1.0
  Mn  Mn6  1  0.825  0.165  0.715  1.0
  Fe  Fe7  1  0.170  0.822  0.219  1.0
  Fe  Fe8  1  0.170  0.348  0.219  1.0
  Fe  Fe9  1  0.341  0.170  0.712  1.0
  W  W10  1  0.328  0.664  0.488  1.0
  W  W11  1  0.645  0.322  0.988  1.0
  O  O12  1  0.210  0.855  0.593  1.0
  O  O13  1  0.031  0.515  0.363  1.0
  O  O14  1  0.342  0.671  0.109  1.0
  O  O15  1  0.990  0.995  0.298  1.0
  O  O16  1  0.012  0.006  0.799  1.0
  O  O17  1  0.210  0.355  0.593  1.0
  O  O18  1  0.486  0.962  0.352  1.0
  O  O19  1  0.486  0.524  0.352  1.0
  O  O20  1  0.348  0.174  0.091  1.0
  O  O21  1  0.677  0.838  0.595  1.0
  O  O22  1  0.496  0.460  0.845  1.0
  O  O23  1  0.496  0.036  0.846  1.0
  O  O24  1  0.659  0.329  0.616  1.0
  O  O25  1  0.822  0.657  0.078  1.0
  O  O26  1  0.951  0.476  0.841  1.0
  O  O27  1  0.822  0.165  0.078  1.0
[/CIF]
.