The structure described by Li4WCr5O12 crystallizes in the monoclinic C2/m space group. Li(1) is bonded in a rectangular see-saw-like geometry to one O(1), one O(3), and two equivalent O(2) atoms. W(1) is bonded to two equivalent O(4) and four equivalent O(1) atoms to form WO6 octahedra that share edges with six equivalent Cr(2)O6 octahedra. There are three inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form edge-sharing CrO6 octahedra. In the second Cr site, Cr(2) is bonded to two equivalent O(4) and four equivalent O(1) atoms to form CrO6 octahedra that share edges with three equivalent W(1)O6 octahedra and edges with three equivalent Cr(2)O6 octahedra. In the third Cr site, Cr(3) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form edge-sharing CrO6 octahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one W(1), and two equivalent Cr(2) atoms to form distorted OLiCr2W trigonal pyramids that share  a cornercorner with one O(3)Li2Cr3 square pyramid, corners with two equivalent O(2)Li2Cr3 square pyramids, corners with five equivalent O(1)LiCr2W trigonal pyramids, and edges with two equivalent O(1)LiCr2W trigonal pyramids. In the second O site, O(2) is bonded to two equivalent Li(1), one Cr(3), and two equivalent Cr(1) atoms to form OLi2Cr3 square pyramids that share corners with two equivalent O(3)Li2Cr3 square pyramids, corners with three equivalent O(2)Li2Cr3 square pyramids, corners with two equivalent O(1)LiCr2W trigonal pyramids, edges with three equivalent O(3)Li2Cr3 square pyramids, and edges with four equivalent O(2)Li2Cr3 square pyramids. In the third O site, O(3) is bonded to two equivalent Li(1), one Cr(3), and two equivalent Cr(1) atoms to form OLi2Cr3 square pyramids that share  a cornercorner with one O(3)Li2Cr3 square pyramid, corners with four equivalent O(2)Li2Cr3 square pyramids, corners with two equivalent O(1)LiCr2W trigonal pyramids,  an edgeedge with one O(3)Li2Cr3 square pyramid, and edges with six equivalent O(2)Li2Cr3 square pyramids. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one W(1) and two equivalent Cr(2) atoms. is represented by the CIF file [CIF]
data_Li4Cr5WO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.267
_cell_length_b   5.267
_cell_length_c   10.360
_cell_angle_alpha   87.096
_cell_angle_beta   87.096
_cell_angle_gamma   120.704
_symmetry_Int_Tables_number   1
_cell_volume   245.776
_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  0.877  0.540  0.291  1.0
  Li  Li1  1  0.460  0.123  0.709  1.0
  Li  Li2  1  0.540  0.877  0.291  1.0
  Li  Li3  1  0.123  0.460  0.709  1.0
  Cr  Cr4  1  0.836  0.164  0.500  1.0
  Cr  Cr5  1  0.667  0.333  0.000  1.0
  Cr  Cr6  1  0.500  0.500  0.500  1.0
  Cr  Cr7  1  0.333  0.667  0.000  1.0
  Cr  Cr8  1  0.164  0.836  0.500  1.0
  W  W9  1  0.000  0.000  0.000  1.0
  O  O10  1  0.015  0.353  0.900  1.0
  O  O11  1  0.647  0.985  0.100  1.0
  O  O12  1  0.812  0.467  0.604  1.0
  O  O13  1  0.533  0.188  0.396  1.0
  O  O14  1  0.844  0.844  0.395  1.0
  O  O15  1  0.696  0.696  0.905  1.0
  O  O16  1  0.304  0.304  0.095  1.0
  O  O17  1  0.156  0.156  0.605  1.0
  O  O18  1  0.467  0.812  0.604  1.0
  O  O19  1  0.188  0.533  0.396  1.0
  O  O20  1  0.353  0.015  0.900  1.0
  O  O21  1  0.985  0.647  0.100  1.0
[/CIF]
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The structure described by Li4WCr5O12 crystallizes in the monoclinic C2/m space group. Li(1) is bonded in a rectangular see-saw-like geometry to one O(1), one O(3), and two equivalent O(2) atoms. W(1) is bonded to two equivalent O(4) and four equivalent O(1) atoms to form WO6 octahedra that share edges with six equivalent Cr(2)O6 octahedra. There are three inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form edge-sharing CrO6 octahedra. In the second Cr site, Cr(2) is bonded to two equivalent O(4) and four equivalent O(1) atoms to form CrO6 octahedra that share edges with three equivalent W(1)O6 octahedra and edges with three equivalent Cr(2)O6 octahedra. In the third Cr site, Cr(3) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form edge-sharing CrO6 octahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one W(1), and two equivalent Cr(2) atoms to form distorted OLiCr2W trigonal pyramids that share  a cornercorner with one O(3)Li2Cr3 square pyramid, corners with two equivalent O(2)Li2Cr3 square pyramids, corners with five equivalent O(1)LiCr2W trigonal pyramids, and edges with two equivalent O(1)LiCr2W trigonal pyramids. In the second O site, O(2) is bonded to two equivalent Li(1), one Cr(3), and two equivalent Cr(1) atoms to form OLi2Cr3 square pyramids that share corners with two equivalent O(3)Li2Cr3 square pyramids, corners with three equivalent O(2)Li2Cr3 square pyramids, corners with two equivalent O(1)LiCr2W trigonal pyramids, edges with three equivalent O(3)Li2Cr3 square pyramids, and edges with four equivalent O(2)Li2Cr3 square pyramids. In the third O site, O(3) is bonded to two equivalent Li(1), one Cr(3), and two equivalent Cr(1) atoms to form OLi2Cr3 square pyramids that share  a cornercorner with one O(3)Li2Cr3 square pyramid, corners with four equivalent O(2)Li2Cr3 square pyramids, corners with two equivalent O(1)LiCr2W trigonal pyramids,  an edgeedge with one O(3)Li2Cr3 square pyramid, and edges with six equivalent O(2)Li2Cr3 square pyramids. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one W(1) and two equivalent Cr(2) atoms. is represented by the CIF file [CIF]
data_Li4Cr5WO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.267
_cell_length_b   5.267
_cell_length_c   10.360
_cell_angle_alpha   87.096
_cell_angle_beta   87.096
_cell_angle_gamma   120.704
_symmetry_Int_Tables_number   1
_cell_volume   245.776
_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  0.877  0.540  0.291  1.0
  Li  Li1  1  0.460  0.123  0.709  1.0
  Li  Li2  1  0.540  0.877  0.291  1.0
  Li  Li3  1  0.123  0.460  0.709  1.0
  Cr  Cr4  1  0.836  0.164  0.500  1.0
  Cr  Cr5  1  0.667  0.333  0.000  1.0
  Cr  Cr6  1  0.500  0.500  0.500  1.0
  Cr  Cr7  1  0.333  0.667  0.000  1.0
  Cr  Cr8  1  0.164  0.836  0.500  1.0
  W  W9  1  0.000  0.000  0.000  1.0
  O  O10  1  0.015  0.353  0.900  1.0
  O  O11  1  0.647  0.985  0.100  1.0
  O  O12  1  0.812  0.467  0.604  1.0
  O  O13  1  0.533  0.188  0.396  1.0
  O  O14  1  0.844  0.844  0.395  1.0
  O  O15  1  0.696  0.696  0.905  1.0
  O  O16  1  0.304  0.304  0.095  1.0
  O  O17  1  0.156  0.156  0.605  1.0
  O  O18  1  0.467  0.812  0.604  1.0
  O  O19  1  0.188  0.533  0.396  1.0
  O  O20  1  0.353  0.015  0.900  1.0
  O  O21  1  0.985  0.647  0.100  1.0
[/CIF]
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