The crystal structure described by Li11(FeO3)4 crystallizes in the monoclinic Pm space group. There are eleven inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(11), one O(2), and two equivalent O(3) atoms to form corner-sharing LiO4 tetrahedra. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one O(3), one O(5), and two equivalent O(1) atoms. In the third Li site, Li(3) is bonded to one O(2), one O(4), and two equivalent O(6) atoms to form corner-sharing LiO4 tetrahedra. In the fourth Li site, Li(4) is bonded to one O(1), one O(4), and two equivalent O(5) atoms to form distorted corner-sharing LiO4 tetrahedra. In the fifth Li site, Li(5) is bonded in a 4-coordinate geometry to one O(5), one O(8), and two equivalent O(4) atoms. In the sixth Li site, Li(6) is bonded in a 4-coordinate geometry to one O(6), one O(7), and two equivalent O(9) atoms. In the seventh Li site, Li(7) is bonded to one O(12), one O(9), and two equivalent O(8) atoms to form a mixture of distorted corner and edge-sharing LiO4 trigonal pyramids. In the eighth Li site, Li(8) is bonded to one O(11), one O(9), and two equivalent O(7) atoms to form distorted corner-sharing LiO4 tetrahedra. In the ninth Li site, Li(9) is bonded to one O(10), one O(8), and two equivalent O(12) atoms to form a mixture of distorted corner and edge-sharing LiO4 tetrahedra. In the tenth Li site, Li(10) is bonded in a 4-coordinate geometry to one O(10), one O(7), and two equivalent O(11) atoms. In the eleventh Li site, Li(11) is bonded in a 4-coordinate geometry to one O(1), one O(12), and two equivalent O(10) atoms. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a rectangular see-saw-like geometry to one O(1), one O(12), one O(2), and one O(4) atom. In the second Fe site, Fe(2) is bonded in a square co-planar geometry to one O(10), one O(5), one O(7), and one O(8) atom. In the third Fe site, Fe(3) is bonded in a rectangular see-saw-like geometry to one O(3), one O(5), one O(6), and one O(7) atom. In the fourth Fe site, Fe(4) is bonded in a square co-planar geometry to one O(11), one O(12), one O(2), and one O(9) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to one Li(11), one Li(4), two equivalent Li(2), and one Fe(1) atom to form OLi4Fe trigonal bipyramids that share corners with two equivalent O(3)Li3Fe tetrahedra, corners with two equivalent O(1)Li4Fe trigonal bipyramids, corners with two equivalent O(10)Li4Fe trigonal bipyramids,  an edgeedge with one O(12)Li4Fe2 octahedra, edges with two equivalent O(5)Li4Fe2 octahedra, and  an edgeedge with one O(4)Li4Fe trigonal bipyramid. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Li(1), one Li(3), one Fe(1), and one Fe(4) atom. In the third O site, O(3) is bonded to one Li(2), two equivalent Li(1), and one Fe(3) atom to form OLi3Fe tetrahedra that share  a cornercorner with one O(6)Li3Fe tetrahedra, corners with two equivalent O(3)Li3Fe tetrahedra, corners with two equivalent O(1)Li4Fe trigonal bipyramids, corners with two equivalent O(11)Li4Fe trigonal bipyramids, and  an edgeedge with one O(5)Li4Fe2 octahedra. In the fourth O site, O(4) is bonded to one Li(3), one Li(4), two equivalent Li(5), and one Fe(1) atom to form OLi4Fe trigonal bipyramids that share  a cornercorner with one O(12)Li4Fe2 octahedra, corners with two equivalent O(6)Li3Fe tetrahedra, corners with two equivalent O(4)Li4Fe trigonal bipyramids, corners with two equivalent O(8)Li4Fe trigonal bipyramids, edges with two equivalent O(5)Li4Fe2 octahedra, and  an edgeedge with one O(1)Li4Fe trigonal bipyramid. The corner-sharing octahedral tilt angles are 4°. In the fifth O site, O(5) is bonded to one Li(2), one Li(5), two equivalent Li(4), one Fe(2), and one Fe(3) atom to form distorted OLi4Fe2 octahedra that share corners with two equivalent O(5)Li4Fe2 octahedra,  a cornercorner with one O(6)Li3Fe tetrahedra,  a cornercorner with one O(10)Li4Fe trigonal bipyramid,  an edgeedge with one O(3)Li3Fe tetrahedra,  an edgeedge with one O(8)Li4Fe trigonal bipyramid, edges with two equivalent O(1)Li4Fe trigonal bipyramids, and edges with two equivalent O(4)Li4Fe trigonal bipyramids. The corner-sharing octahedral tilt angles are 54°. In the sixth O site, O(6) is bonded to one Li(6), two equivalent Li(3), and one Fe(3) atom to form OLi3Fe tetrahedra that share  a cornercorner with one O(5)Li4Fe2 octahedra,  a cornercorner with one O(3)Li3Fe tetrahedra, corners with two equivalent O(6)Li3Fe tetrahedra, corners with two equivalent O(4)Li4Fe trigonal bipyramids, and corners with two equivalent O(9)Li4Fe trigonal bipyramids. The corner-sharing octahedral tilt angles are 7°. In the seventh O site, O(7) is bonded in a 6-coordinate geometry to one Li(10), one Li(6), two equivalent Li(8), one Fe(2), and one Fe(3) atom. In the eighth O site, O(8) is bonded to one Li(5), one Li(9), two equivalent Li(7), and one Fe(2) atom to form OLi4Fe trigonal bipyramids that share corners with two equivalent O(4)Li4Fe trigonal bipyramids, corners with two equivalent O(8)Li4Fe trigonal bipyramids, corners with two equivalent O(9)Li4Fe trigonal bipyramids,  an edgeedge with one O(5)Li4Fe2 octahedra, edges with two equivalent O(12)Li4Fe2 octahedra, and  an edgeedge with one O(10)Li4Fe trigonal bipyramid. In the ninth O site, O(9) is bonded to one Li(7), one Li(8), two equivalent Li(6), and one Fe(4) atom to form OLi4Fe trigonal bipyramids that share corners with two equivalent O(6)Li3Fe tetrahedra, corners with two equivalent O(8)Li4Fe trigonal bipyramids, corners with two equivalent O(9)Li4Fe trigonal bipyramids,  an edgeedge with one O(12)Li4Fe2 octahedra, and  an edgeedge with one O(11)Li4Fe trigonal bipyramid. In the tenth O site, O(10) is bonded to one Li(10), one Li(9), two equivalent Li(11), and one Fe(2) atom to form OLi4Fe trigonal bipyramids that share  a cornercorner with one O(5)Li4Fe2 octahedra, corners with two equivalent O(1)Li4Fe trigonal bipyramids, corners with two equivalent O(10)Li4Fe trigonal bipyramids, corners with two equivalent O(11)Li4Fe trigonal bipyramids, edges with two equivalent O(12)Li4Fe2 octahedra, and  an edgeedge with one O(8)Li4Fe trigonal bipyramid. The corner-sharing octahedral tilt angles are 5°. In the eleventh O site, O(11) is bonded to one Li(1), one Li(8), two equivalent Li(10), and one Fe(4) atom to form OLi4Fe trigonal bipyramids that share  a cornercorner with one O(12)Li4Fe2 octahedra, corners with two equivalent O(3)Li3Fe tetrahedra, corners with two equivalent O(10)Li4Fe trigonal bipyramids, corners with two equivalent O(11)Li4Fe trigonal bipyramids, and  an edgeedge with one O(9)Li4Fe trigonal bipyramid. The corner-sharing octahedral tilt angles are 4°. In the twelfth O site, O(12) is bonded to one Li(11), one Li(7), two equivalent Li(9), one Fe(1), and one Fe(4) atom to form distorted OLi4Fe2 octahedra that share corners with two equivalent O(12)Li4Fe2 octahedra,  a cornercorner with one O(11)Li4Fe trigonal bipyramid,  a cornercorner with one O(4)Li4Fe trigonal bipyramid,  an edgeedge with one O(1)Li4Fe trigonal bipyramid,  an edgeedge with one O(9)Li4Fe trigonal bipyramid, edges with two equivalent O(10)Li4Fe trigonal bipyramids, and edges with two equivalent O(8)Li4Fe trigonal bipyramids. The corner-sharing octahedral tilt angles are 54°. is represented by the CIF file [CIF]
data_Li11(FeO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.496
_cell_length_b   8.997
_cell_length_c   9.066
_cell_angle_alpha   89.270
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   285.168
_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  0.888  0.686  1.0
  Li  Li1  1  0.000  0.856  0.399  1.0
  Li  Li2  1  0.500  0.682  0.891  1.0
  Li  Li3  1  0.500  0.669  0.329  1.0
  Li  Li4  1  0.000  0.599  0.141  1.0
  Li  Li5  1  0.000  0.400  0.852  1.0
  Li  Li6  1  0.500  0.358  0.098  1.0
  Li  Li7  1  0.500  0.327  0.670  1.0
  Li  Li8  1  0.000  0.170  0.175  1.0
  Li  Li9  1  0.000  0.129  0.603  1.0
  Li  Li10  1  0.500  0.096  0.360  1.0
  Fe  Fe11  1  0.500  0.887  0.113  1.0
  Fe  Fe12  1  0.000  0.384  0.388  1.0
  Fe  Fe13  1  0.000  0.616  0.614  1.0
  Fe  Fe14  1  0.500  0.113  0.890  1.0
  O  O15  1  0.500  0.888  0.315  1.0
  O  O16  1  0.500  0.905  0.908  1.0
  O  O17  1  0.000  0.814  0.604  1.0
  O  O18  1  0.500  0.684  0.110  1.0
  O  O19  1  0.000  0.599  0.399  1.0
  O  O20  1  0.000  0.606  0.811  1.0
  O  O21  1  0.000  0.399  0.600  1.0
  O  O22  1  0.000  0.388  0.184  1.0
  O  O23  1  0.500  0.316  0.890  1.0
  O  O24  1  0.000  0.179  0.394  1.0
  O  O25  1  0.500  0.107  0.688  1.0
  O  O26  1  0.500  0.102  0.104  1.0
[/CIF]
.
The crystal structure described by Li11(FeO3)4 crystallizes in the monoclinic Pm space group. There are eleven inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(11), one O(2), and two equivalent O(3) atoms to form corner-sharing LiO4 tetrahedra. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one O(3), one O(5), and two equivalent O(1) atoms. In the third Li site, Li(3) is bonded to one O(2), one O(4), and two equivalent O(6) atoms to form corner-sharing LiO4 tetrahedra. In the fourth Li site, Li(4) is bonded to one O(1), one O(4), and two equivalent O(5) atoms to form distorted corner-sharing LiO4 tetrahedra. In the fifth Li site, Li(5) is bonded in a 4-coordinate geometry to one O(5), one O(8), and two equivalent O(4) atoms. In the sixth Li site, Li(6) is bonded in a 4-coordinate geometry to one O(6), one O(7), and two equivalent O(9) atoms. In the seventh Li site, Li(7) is bonded to one O(12), one O(9), and two equivalent O(8) atoms to form a mixture of distorted corner and edge-sharing LiO4 trigonal pyramids. In the eighth Li site, Li(8) is bonded to one O(11), one O(9), and two equivalent O(7) atoms to form distorted corner-sharing LiO4 tetrahedra. In the ninth Li site, Li(9) is bonded to one O(10), one O(8), and two equivalent O(12) atoms to form a mixture of distorted corner and edge-sharing LiO4 tetrahedra. In the tenth Li site, Li(10) is bonded in a 4-coordinate geometry to one O(10), one O(7), and two equivalent O(11) atoms. In the eleventh Li site, Li(11) is bonded in a 4-coordinate geometry to one O(1), one O(12), and two equivalent O(10) atoms. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a rectangular see-saw-like geometry to one O(1), one O(12), one O(2), and one O(4) atom. In the second Fe site, Fe(2) is bonded in a square co-planar geometry to one O(10), one O(5), one O(7), and one O(8) atom. In the third Fe site, Fe(3) is bonded in a rectangular see-saw-like geometry to one O(3), one O(5), one O(6), and one O(7) atom. In the fourth Fe site, Fe(4) is bonded in a square co-planar geometry to one O(11), one O(12), one O(2), and one O(9) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to one Li(11), one Li(4), two equivalent Li(2), and one Fe(1) atom to form OLi4Fe trigonal bipyramids that share corners with two equivalent O(3)Li3Fe tetrahedra, corners with two equivalent O(1)Li4Fe trigonal bipyramids, corners with two equivalent O(10)Li4Fe trigonal bipyramids,  an edgeedge with one O(12)Li4Fe2 octahedra, edges with two equivalent O(5)Li4Fe2 octahedra, and  an edgeedge with one O(4)Li4Fe trigonal bipyramid. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Li(1), one Li(3), one Fe(1), and one Fe(4) atom. In the third O site, O(3) is bonded to one Li(2), two equivalent Li(1), and one Fe(3) atom to form OLi3Fe tetrahedra that share  a cornercorner with one O(6)Li3Fe tetrahedra, corners with two equivalent O(3)Li3Fe tetrahedra, corners with two equivalent O(1)Li4Fe trigonal bipyramids, corners with two equivalent O(11)Li4Fe trigonal bipyramids, and  an edgeedge with one O(5)Li4Fe2 octahedra. In the fourth O site, O(4) is bonded to one Li(3), one Li(4), two equivalent Li(5), and one Fe(1) atom to form OLi4Fe trigonal bipyramids that share  a cornercorner with one O(12)Li4Fe2 octahedra, corners with two equivalent O(6)Li3Fe tetrahedra, corners with two equivalent O(4)Li4Fe trigonal bipyramids, corners with two equivalent O(8)Li4Fe trigonal bipyramids, edges with two equivalent O(5)Li4Fe2 octahedra, and  an edgeedge with one O(1)Li4Fe trigonal bipyramid. The corner-sharing octahedral tilt angles are 4°. In the fifth O site, O(5) is bonded to one Li(2), one Li(5), two equivalent Li(4), one Fe(2), and one Fe(3) atom to form distorted OLi4Fe2 octahedra that share corners with two equivalent O(5)Li4Fe2 octahedra,  a cornercorner with one O(6)Li3Fe tetrahedra,  a cornercorner with one O(10)Li4Fe trigonal bipyramid,  an edgeedge with one O(3)Li3Fe tetrahedra,  an edgeedge with one O(8)Li4Fe trigonal bipyramid, edges with two equivalent O(1)Li4Fe trigonal bipyramids, and edges with two equivalent O(4)Li4Fe trigonal bipyramids. The corner-sharing octahedral tilt angles are 54°. In the sixth O site, O(6) is bonded to one Li(6), two equivalent Li(3), and one Fe(3) atom to form OLi3Fe tetrahedra that share  a cornercorner with one O(5)Li4Fe2 octahedra,  a cornercorner with one O(3)Li3Fe tetrahedra, corners with two equivalent O(6)Li3Fe tetrahedra, corners with two equivalent O(4)Li4Fe trigonal bipyramids, and corners with two equivalent O(9)Li4Fe trigonal bipyramids. The corner-sharing octahedral tilt angles are 7°. In the seventh O site, O(7) is bonded in a 6-coordinate geometry to one Li(10), one Li(6), two equivalent Li(8), one Fe(2), and one Fe(3) atom. In the eighth O site, O(8) is bonded to one Li(5), one Li(9), two equivalent Li(7), and one Fe(2) atom to form OLi4Fe trigonal bipyramids that share corners with two equivalent O(4)Li4Fe trigonal bipyramids, corners with two equivalent O(8)Li4Fe trigonal bipyramids, corners with two equivalent O(9)Li4Fe trigonal bipyramids,  an edgeedge with one O(5)Li4Fe2 octahedra, edges with two equivalent O(12)Li4Fe2 octahedra, and  an edgeedge with one O(10)Li4Fe trigonal bipyramid. In the ninth O site, O(9) is bonded to one Li(7), one Li(8), two equivalent Li(6), and one Fe(4) atom to form OLi4Fe trigonal bipyramids that share corners with two equivalent O(6)Li3Fe tetrahedra, corners with two equivalent O(8)Li4Fe trigonal bipyramids, corners with two equivalent O(9)Li4Fe trigonal bipyramids,  an edgeedge with one O(12)Li4Fe2 octahedra, and  an edgeedge with one O(11)Li4Fe trigonal bipyramid. In the tenth O site, O(10) is bonded to one Li(10), one Li(9), two equivalent Li(11), and one Fe(2) atom to form OLi4Fe trigonal bipyramids that share  a cornercorner with one O(5)Li4Fe2 octahedra, corners with two equivalent O(1)Li4Fe trigonal bipyramids, corners with two equivalent O(10)Li4Fe trigonal bipyramids, corners with two equivalent O(11)Li4Fe trigonal bipyramids, edges with two equivalent O(12)Li4Fe2 octahedra, and  an edgeedge with one O(8)Li4Fe trigonal bipyramid. The corner-sharing octahedral tilt angles are 5°. In the eleventh O site, O(11) is bonded to one Li(1), one Li(8), two equivalent Li(10), and one Fe(4) atom to form OLi4Fe trigonal bipyramids that share  a cornercorner with one O(12)Li4Fe2 octahedra, corners with two equivalent O(3)Li3Fe tetrahedra, corners with two equivalent O(10)Li4Fe trigonal bipyramids, corners with two equivalent O(11)Li4Fe trigonal bipyramids, and  an edgeedge with one O(9)Li4Fe trigonal bipyramid. The corner-sharing octahedral tilt angles are 4°. In the twelfth O site, O(12) is bonded to one Li(11), one Li(7), two equivalent Li(9), one Fe(1), and one Fe(4) atom to form distorted OLi4Fe2 octahedra that share corners with two equivalent O(12)Li4Fe2 octahedra,  a cornercorner with one O(11)Li4Fe trigonal bipyramid,  a cornercorner with one O(4)Li4Fe trigonal bipyramid,  an edgeedge with one O(1)Li4Fe trigonal bipyramid,  an edgeedge with one O(9)Li4Fe trigonal bipyramid, edges with two equivalent O(10)Li4Fe trigonal bipyramids, and edges with two equivalent O(8)Li4Fe trigonal bipyramids. The corner-sharing octahedral tilt angles are 54°. is represented by the CIF file [CIF]
data_Li11(FeO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.496
_cell_length_b   8.997
_cell_length_c   9.066
_cell_angle_alpha   89.270
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   285.168
_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  0.888  0.686  1.0
  Li  Li1  1  0.000  0.856  0.399  1.0
  Li  Li2  1  0.500  0.682  0.891  1.0
  Li  Li3  1  0.500  0.669  0.329  1.0
  Li  Li4  1  0.000  0.599  0.141  1.0
  Li  Li5  1  0.000  0.400  0.852  1.0
  Li  Li6  1  0.500  0.358  0.098  1.0
  Li  Li7  1  0.500  0.327  0.670  1.0
  Li  Li8  1  0.000  0.170  0.175  1.0
  Li  Li9  1  0.000  0.129  0.603  1.0
  Li  Li10  1  0.500  0.096  0.360  1.0
  Fe  Fe11  1  0.500  0.887  0.113  1.0
  Fe  Fe12  1  0.000  0.384  0.388  1.0
  Fe  Fe13  1  0.000  0.616  0.614  1.0
  Fe  Fe14  1  0.500  0.113  0.890  1.0
  O  O15  1  0.500  0.888  0.315  1.0
  O  O16  1  0.500  0.905  0.908  1.0
  O  O17  1  0.000  0.814  0.604  1.0
  O  O18  1  0.500  0.684  0.110  1.0
  O  O19  1  0.000  0.599  0.399  1.0
  O  O20  1  0.000  0.606  0.811  1.0
  O  O21  1  0.000  0.399  0.600  1.0
  O  O22  1  0.000  0.388  0.184  1.0
  O  O23  1  0.500  0.316  0.890  1.0
  O  O24  1  0.000  0.179  0.394  1.0
  O  O25  1  0.500  0.107  0.688  1.0
  O  O26  1  0.500  0.102  0.104  1.0
[/CIF]
.