The material structure described by Li4Cr3(FeO4)3 crystallizes in the orthorhombic F222 space group. There are two 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 distorted LiO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, edges with two equivalent Cr(2)O6 octahedra, and edges with three equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-15°. In the second Li site, Li(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted LiO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Cr(1)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, and edges with three equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-16°. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form CrO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Cr(1)O6 octahedra, corners with two equivalent Cr(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, and edges with three equivalent Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-15°. In the second Cr site, Cr(2) is bonded to two equivalent O(4) and four equivalent O(2) atoms to form CrO6 octahedra that share corners with four equivalent Cr(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and edges with four equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles are 15°. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form FeO6 octahedra that share corners with four equivalent Fe(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with four equivalent Li(2)O6 octahedra, and edges with four equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles are 15°. In the second Fe site, Fe(2) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form FeO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, edges with two equivalent Cr(2)O6 octahedra, and edges with three equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-15°. There are four inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Li(2), two equivalent Cr(1), and one Fe(1) atom to form OLi2Cr2Fe square pyramids that share  a cornercorner with one O(1)Li2Cr2Fe square pyramid, corners with four equivalent O(2)Li2Cr2Fe square pyramids, corners with four equivalent O(3)Li2CrFe2 square pyramids, edges with two equivalent O(1)Li2Cr2Fe square pyramids, edges with two equivalent O(2)Li2Cr2Fe square pyramids, and edges with four equivalent O(3)Li2CrFe2 square pyramids. In the second O site, O(2) is bonded to one Li(1), one Li(2), one Cr(1), one Cr(2), and one Fe(2) atom to form distorted OLi2Cr2Fe square pyramids that share corners with two equivalent O(1)Li2Cr2Fe square pyramids, corners with two equivalent O(4)Li2CrFe2 square pyramids, corners with five equivalent O(2)Li2Cr2Fe square pyramids,  an edgeedge with one O(1)Li2Cr2Fe square pyramid,  an edgeedge with one O(2)Li2Cr2Fe square pyramid, edges with two equivalent O(4)Li2CrFe2 square pyramids, and edges with four equivalent O(3)Li2CrFe2 square pyramids. In the third O site, O(3) is bonded to one Li(1), one Li(2), one Cr(1), one Fe(1), and one Fe(2) atom to form distorted OLi2CrFe2 square pyramids that share corners with two equivalent O(1)Li2Cr2Fe square pyramids, corners with two equivalent O(4)Li2CrFe2 square pyramids, corners with five equivalent O(3)Li2CrFe2 square pyramids,  an edgeedge with one O(3)Li2CrFe2 square pyramid,  an edgeedge with one O(4)Li2CrFe2 square pyramid, edges with two equivalent O(1)Li2Cr2Fe square pyramids, and edges with four equivalent O(2)Li2Cr2Fe square pyramids. In the fourth O site, O(4) is bonded to two equivalent Li(1), one Cr(2), and two equivalent Fe(2) atoms to form OLi2CrFe2 square pyramids that share  a cornercorner with one O(4)Li2CrFe2 square pyramid, corners with four equivalent O(2)Li2Cr2Fe square pyramids, corners with four equivalent O(3)Li2CrFe2 square pyramids, edges with two equivalent O(3)Li2CrFe2 square pyramids, edges with two equivalent O(4)Li2CrFe2 square pyramids, and edges with four equivalent O(2)Li2Cr2Fe square pyramids. is represented by the CIF card [CIF]
data_Li4Cr3(FeO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.629
_cell_length_b   8.981
_cell_length_c   5.315
_cell_angle_alpha   80.231
_cell_angle_beta   66.815
_cell_angle_gamma   32.954
_symmetry_Int_Tables_number   1
_cell_volume   217.621
_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  0.580  0.580  0.920  1.0
  Li  Li1  1  0.920  0.920  0.580  1.0
  Li  Li2  1  0.330  0.330  0.670  1.0
  Li  Li3  1  0.670  0.670  0.330  1.0
  Cr  Cr4  1  0.836  0.836  0.164  1.0
  Cr  Cr5  1  0.164  0.164  0.836  1.0
  Cr  Cr6  1  0.500  0.500  0.500  1.0
  Fe  Fe7  1  0.750  0.750  0.750  1.0
  Fe  Fe8  1  0.414  0.414  0.086  1.0
  Fe  Fe9  1  0.086  0.086  0.414  1.0
  O  O10  1  0.969  0.531  0.969  1.0
  O  O11  1  0.201  0.625  0.854  1.0
  O  O12  1  0.623  0.051  0.930  1.0
  O  O13  1  0.854  0.319  0.201  1.0
  O  O14  1  0.051  0.623  0.397  1.0
  O  O15  1  0.397  0.930  0.051  1.0
  O  O16  1  0.279  0.721  0.279  1.0
  O  O17  1  0.625  0.201  0.319  1.0
  O  O18  1  0.531  0.969  0.531  1.0
  O  O19  1  0.930  0.397  0.623  1.0
  O  O20  1  0.319  0.854  0.625  1.0
  O  O21  1  0.721  0.279  0.721  1.0
[/CIF]
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The material structure described by Li4Cr3(FeO4)3 crystallizes in the orthorhombic F222 space group. There are two 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 distorted LiO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, edges with two equivalent Cr(2)O6 octahedra, and edges with three equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-15°. In the second Li site, Li(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted LiO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Cr(1)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, and edges with three equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-16°. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form CrO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Cr(1)O6 octahedra, corners with two equivalent Cr(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, and edges with three equivalent Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-15°. In the second Cr site, Cr(2) is bonded to two equivalent O(4) and four equivalent O(2) atoms to form CrO6 octahedra that share corners with four equivalent Cr(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and edges with four equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles are 15°. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form FeO6 octahedra that share corners with four equivalent Fe(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with four equivalent Li(2)O6 octahedra, and edges with four equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles are 15°. In the second Fe site, Fe(2) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form FeO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, edges with two equivalent Cr(2)O6 octahedra, and edges with three equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-15°. There are four inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Li(2), two equivalent Cr(1), and one Fe(1) atom to form OLi2Cr2Fe square pyramids that share  a cornercorner with one O(1)Li2Cr2Fe square pyramid, corners with four equivalent O(2)Li2Cr2Fe square pyramids, corners with four equivalent O(3)Li2CrFe2 square pyramids, edges with two equivalent O(1)Li2Cr2Fe square pyramids, edges with two equivalent O(2)Li2Cr2Fe square pyramids, and edges with four equivalent O(3)Li2CrFe2 square pyramids. In the second O site, O(2) is bonded to one Li(1), one Li(2), one Cr(1), one Cr(2), and one Fe(2) atom to form distorted OLi2Cr2Fe square pyramids that share corners with two equivalent O(1)Li2Cr2Fe square pyramids, corners with two equivalent O(4)Li2CrFe2 square pyramids, corners with five equivalent O(2)Li2Cr2Fe square pyramids,  an edgeedge with one O(1)Li2Cr2Fe square pyramid,  an edgeedge with one O(2)Li2Cr2Fe square pyramid, edges with two equivalent O(4)Li2CrFe2 square pyramids, and edges with four equivalent O(3)Li2CrFe2 square pyramids. In the third O site, O(3) is bonded to one Li(1), one Li(2), one Cr(1), one Fe(1), and one Fe(2) atom to form distorted OLi2CrFe2 square pyramids that share corners with two equivalent O(1)Li2Cr2Fe square pyramids, corners with two equivalent O(4)Li2CrFe2 square pyramids, corners with five equivalent O(3)Li2CrFe2 square pyramids,  an edgeedge with one O(3)Li2CrFe2 square pyramid,  an edgeedge with one O(4)Li2CrFe2 square pyramid, edges with two equivalent O(1)Li2Cr2Fe square pyramids, and edges with four equivalent O(2)Li2Cr2Fe square pyramids. In the fourth O site, O(4) is bonded to two equivalent Li(1), one Cr(2), and two equivalent Fe(2) atoms to form OLi2CrFe2 square pyramids that share  a cornercorner with one O(4)Li2CrFe2 square pyramid, corners with four equivalent O(2)Li2Cr2Fe square pyramids, corners with four equivalent O(3)Li2CrFe2 square pyramids, edges with two equivalent O(3)Li2CrFe2 square pyramids, edges with two equivalent O(4)Li2CrFe2 square pyramids, and edges with four equivalent O(2)Li2Cr2Fe square pyramids. is represented by the CIF card [CIF]
data_Li4Cr3(FeO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.629
_cell_length_b   8.981
_cell_length_c   5.315
_cell_angle_alpha   80.231
_cell_angle_beta   66.815
_cell_angle_gamma   32.954
_symmetry_Int_Tables_number   1
_cell_volume   217.621
_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  0.580  0.580  0.920  1.0
  Li  Li1  1  0.920  0.920  0.580  1.0
  Li  Li2  1  0.330  0.330  0.670  1.0
  Li  Li3  1  0.670  0.670  0.330  1.0
  Cr  Cr4  1  0.836  0.836  0.164  1.0
  Cr  Cr5  1  0.164  0.164  0.836  1.0
  Cr  Cr6  1  0.500  0.500  0.500  1.0
  Fe  Fe7  1  0.750  0.750  0.750  1.0
  Fe  Fe8  1  0.414  0.414  0.086  1.0
  Fe  Fe9  1  0.086  0.086  0.414  1.0
  O  O10  1  0.969  0.531  0.969  1.0
  O  O11  1  0.201  0.625  0.854  1.0
  O  O12  1  0.623  0.051  0.930  1.0
  O  O13  1  0.854  0.319  0.201  1.0
  O  O14  1  0.051  0.623  0.397  1.0
  O  O15  1  0.397  0.930  0.051  1.0
  O  O16  1  0.279  0.721  0.279  1.0
  O  O17  1  0.625  0.201  0.319  1.0
  O  O18  1  0.531  0.969  0.531  1.0
  O  O19  1  0.930  0.397  0.623  1.0
  O  O20  1  0.319  0.854  0.625  1.0
  O  O21  1  0.721  0.279  0.721  1.0
[/CIF]
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