The material described by Li4WMn3O8 is Caswellsilverite-derived structured and crystallizes in the monoclinic C2 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form LiO6 octahedra that share corners with six equivalent W(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, edges with four equivalent Li(2)O6 octahedra, and edges with four equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles are 3°. In the second Li site, Li(2) is bonded to one O(2), one O(4), two equivalent O(1), and two equivalent O(3) atoms to form LiO6 octahedra that share corners with six equivalent Mn(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent W(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-11°. In the third Li site, Li(3) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form LiO6 octahedra that share corners with six equivalent Mn(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent W(1)O6 octahedra, edges with four equivalent Li(2)O6 octahedra, and edges with four equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-11°. W(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form WO6 octahedra that share corners with six equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, edges with four equivalent Li(2)O6 octahedra, and edges with four equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles are 3°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(2), one O(4), two equivalent O(1), and two equivalent O(3) atoms to form MnO6 octahedra that share corners with six equivalent Li(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent W(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-11°. In the second Mn site, Mn(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form MnO6 octahedra that share corners with six equivalent Li(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent W(1)O6 octahedra, edges with four equivalent Li(2)O6 octahedra, and edges with four equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-11°. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Li(3), two equivalent Li(2), one Mn(2), and two equivalent Mn(1) atoms to form OLi3Mn3 octahedra that share corners with six equivalent O(1)Li3Mn3 octahedra, edges with four equivalent O(2)Li3Mn2W octahedra, edges with four equivalent O(3)Li3Mn2W octahedra, and edges with four equivalent O(4)Li3Mn2W octahedra. The corner-sharing octahedra are not tilted. In the second O site, O(2) is bonded to one Li(1), one Li(2), one Li(3), one W(1), one Mn(1), and one Mn(2) atom to form OLi3Mn2W octahedra that share corners with six equivalent O(4)Li3Mn2W octahedra, edges with two equivalent O(2)Li3Mn2W octahedra, edges with two equivalent O(4)Li3Mn2W octahedra, edges with four equivalent O(3)Li3Mn2W octahedra, and edges with four equivalent O(1)Li3Mn3 octahedra. The corner-sharing octahedra are not tilted. In the third O site, O(3) is bonded to one Li(1), two equivalent Li(2), one W(1), and two equivalent Mn(1) atoms to form OLi3Mn2W octahedra that share corners with six equivalent O(3)Li3Mn2W octahedra, edges with four equivalent O(2)Li3Mn2W octahedra, edges with four equivalent O(4)Li3Mn2W octahedra, and edges with four equivalent O(1)Li3Mn3 octahedra. The corner-sharing octahedra are not tilted. In the fourth O site, O(4) is bonded to one Li(1), one Li(2), one Li(3), one W(1), one Mn(1), and one Mn(2) atom to form OLi3Mn2W octahedra that share corners with six equivalent O(2)Li3Mn2W octahedra, edges with two equivalent O(2)Li3Mn2W octahedra, edges with two equivalent O(4)Li3Mn2W octahedra, edges with four equivalent O(3)Li3Mn2W octahedra, and edges with four equivalent O(1)Li3Mn3 octahedra. The corner-sharing octahedra are not tilted. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li4Mn3WO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.094
_cell_length_b   6.093
_cell_length_c   6.097
_cell_angle_alpha   62.149
_cell_angle_beta   62.147
_cell_angle_gamma   62.121
_symmetry_Int_Tables_number   1
_cell_volume   167.743
_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  0.500  0.500  0.500  1.0
  Li  Li1  1  0.000  0.500  1.000  1.0
  Li  Li2  1  0.000  1.000  0.500  1.0
  Li  Li3  1  0.500  1.000  0.000  1.0
  Mn  Mn4  1  0.500  0.001  0.499  1.0
  Mn  Mn5  1  0.500  0.500  0.000  1.0
  Mn  Mn6  1  0.999  0.500  0.501  1.0
  O  O7  1  0.739  0.740  0.739  1.0
  O  O8  1  0.261  0.261  0.261  1.0
  O  O9  1  0.226  0.783  0.226  1.0
  O  O10  1  0.226  0.226  0.785  1.0
  O  O11  1  0.785  0.226  0.226  1.0
  O  O12  1  0.774  0.215  0.774  1.0
  O  O13  1  0.774  0.774  0.215  1.0
  O  O14  1  0.217  0.774  0.774  1.0
  W  W15  1  0.000  1.000  1.000  1.0
[/CIF]
.
The material described by Li4WMn3O8 is Caswellsilverite-derived structured and crystallizes in the monoclinic C2 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form LiO6 octahedra that share corners with six equivalent W(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, edges with four equivalent Li(2)O6 octahedra, and edges with four equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles are 3°. In the second Li site, Li(2) is bonded to one O(2), one O(4), two equivalent O(1), and two equivalent O(3) atoms to form LiO6 octahedra that share corners with six equivalent Mn(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent W(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-11°. In the third Li site, Li(3) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form LiO6 octahedra that share corners with six equivalent Mn(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent W(1)O6 octahedra, edges with four equivalent Li(2)O6 octahedra, and edges with four equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-11°. W(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form WO6 octahedra that share corners with six equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, edges with four equivalent Li(2)O6 octahedra, and edges with four equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles are 3°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(2), one O(4), two equivalent O(1), and two equivalent O(3) atoms to form MnO6 octahedra that share corners with six equivalent Li(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent W(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-11°. In the second Mn site, Mn(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form MnO6 octahedra that share corners with six equivalent Li(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent W(1)O6 octahedra, edges with four equivalent Li(2)O6 octahedra, and edges with four equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-11°. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Li(3), two equivalent Li(2), one Mn(2), and two equivalent Mn(1) atoms to form OLi3Mn3 octahedra that share corners with six equivalent O(1)Li3Mn3 octahedra, edges with four equivalent O(2)Li3Mn2W octahedra, edges with four equivalent O(3)Li3Mn2W octahedra, and edges with four equivalent O(4)Li3Mn2W octahedra. The corner-sharing octahedra are not tilted. In the second O site, O(2) is bonded to one Li(1), one Li(2), one Li(3), one W(1), one Mn(1), and one Mn(2) atom to form OLi3Mn2W octahedra that share corners with six equivalent O(4)Li3Mn2W octahedra, edges with two equivalent O(2)Li3Mn2W octahedra, edges with two equivalent O(4)Li3Mn2W octahedra, edges with four equivalent O(3)Li3Mn2W octahedra, and edges with four equivalent O(1)Li3Mn3 octahedra. The corner-sharing octahedra are not tilted. In the third O site, O(3) is bonded to one Li(1), two equivalent Li(2), one W(1), and two equivalent Mn(1) atoms to form OLi3Mn2W octahedra that share corners with six equivalent O(3)Li3Mn2W octahedra, edges with four equivalent O(2)Li3Mn2W octahedra, edges with four equivalent O(4)Li3Mn2W octahedra, and edges with four equivalent O(1)Li3Mn3 octahedra. The corner-sharing octahedra are not tilted. In the fourth O site, O(4) is bonded to one Li(1), one Li(2), one Li(3), one W(1), one Mn(1), and one Mn(2) atom to form OLi3Mn2W octahedra that share corners with six equivalent O(2)Li3Mn2W octahedra, edges with two equivalent O(2)Li3Mn2W octahedra, edges with two equivalent O(4)Li3Mn2W octahedra, edges with four equivalent O(3)Li3Mn2W octahedra, and edges with four equivalent O(1)Li3Mn3 octahedra. The corner-sharing octahedra are not tilted. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li4Mn3WO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.094
_cell_length_b   6.093
_cell_length_c   6.097
_cell_angle_alpha   62.149
_cell_angle_beta   62.147
_cell_angle_gamma   62.121
_symmetry_Int_Tables_number   1
_cell_volume   167.743
_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  0.500  0.500  0.500  1.0
  Li  Li1  1  0.000  0.500  1.000  1.0
  Li  Li2  1  0.000  1.000  0.500  1.0
  Li  Li3  1  0.500  1.000  0.000  1.0
  Mn  Mn4  1  0.500  0.001  0.499  1.0
  Mn  Mn5  1  0.500  0.500  0.000  1.0
  Mn  Mn6  1  0.999  0.500  0.501  1.0
  O  O7  1  0.739  0.740  0.739  1.0
  O  O8  1  0.261  0.261  0.261  1.0
  O  O9  1  0.226  0.783  0.226  1.0
  O  O10  1  0.226  0.226  0.785  1.0
  O  O11  1  0.785  0.226  0.226  1.0
  O  O12  1  0.774  0.215  0.774  1.0
  O  O13  1  0.774  0.774  0.215  1.0
  O  O14  1  0.217  0.774  0.774  1.0
  W  W15  1  0.000  1.000  1.000  1.0
[/CIF]
.