The structure described by K8Li13(FeO4)4 crystallizes in the triclinic P1 space group. There are eight inequivalent K sites. In the first K site, K(1) is bonded in a 5-coordinate geometry to one O(1), one O(10), one O(14), one O(2), and one O(6) atom. In the second K site, K(2) is bonded in a 10-coordinate geometry to one Li(2), one Li(4), one Li(7), one O(13), one O(16), one O(3), one O(4), one O(5), and two equivalent O(12) atoms. In the third K site, K(3) is bonded in a distorted rectangular see-saw-like geometry to one O(13), one O(5), one O(7), and one O(8) atom. In the fourth K site, K(4) is bonded in a 4-coordinate geometry to one O(11), one O(9), and two equivalent O(15) atoms. In the fifth K site, K(5) is bonded in a 5-coordinate geometry to one O(10), one O(5), one O(8), and two equivalent O(2) atoms. In the sixth K site, K(6) is bonded in a 2-coordinate geometry to one O(12) and one O(9) atom. In the seventh K site, K(7) is bonded in a 7-coordinate geometry to one Li(9), one O(12), one O(15), one O(16), one O(3), and two equivalent O(6) atoms. In the eighth K site, K(8) is bonded in a 4-coordinate geometry to one O(1), one O(14), and two equivalent O(7) atoms. There are thirteen inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(13), one O(14), one O(2), and one O(5) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Li(12)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Fe(1)O4 tetrahedra,  a cornercorner with one Fe(3)O4 tetrahedra, corners with two equivalent Li(8)O4 tetrahedra,  an edgeedge with one Li(4)KO4 tetrahedra, and  an edgeedge with one Fe(1)O4 tetrahedra. In the second Li site, Li(2) is bonded in a bent 150 degrees geometry to one K(2), one O(13), and one O(4) atom. In the third Li site, Li(3) is bonded to one O(1), one O(2), one O(8), and one O(9) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Fe(2)O4 tetrahedra,  an edgeedge with one Li(11)O4 tetrahedra,  an edgeedge with one Li(6)O4 tetrahedra, and  an edgeedge with one Fe(3)O4 tetrahedra. In the fourth Li site, Li(4) is bonded to one K(2), one O(14), one O(3), one O(5), and one O(7) atom to form distorted LiKO4 tetrahedra that share  a cornercorner with one Li(6)O4 tetrahedra,  a cornercorner with one Li(8)O4 tetrahedra, corners with two equivalent Fe(1)O4 tetrahedra,  an edgeedge with one Li(1)O4 tetrahedra,  an edgeedge with one Li(12)O4 tetrahedra,  an edgeedge with one Li(8)O4 tetrahedra, and  an edgeedge with one Fe(4)O4 tetrahedra. In the fifth Li site, Li(5) is bonded in a 4-coordinate geometry to one O(15), one O(16), one O(4), and one O(9) atom. In the sixth Li site, Li(6) is bonded to one O(1), one O(10), one O(7), and one O(8) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Li(4)KO4 tetrahedra,  a cornercorner with one Li(11)O4 tetrahedra,  a cornercorner with one Fe(2)O4 tetrahedra,  a cornercorner with one Fe(4)O4 tetrahedra,  an edgeedge with one Li(3)O4 tetrahedra,  an edgeedge with one Li(8)O4 tetrahedra, and  an edgeedge with one Fe(2)O4 tetrahedra. In the seventh Li site, Li(7) is bonded in a 4-coordinate geometry to one K(2), one O(11), one O(12), one O(3), and one O(6) atom. In the eighth Li site, Li(8) is bonded to one O(10), one O(14), one O(5), and one O(7) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Li(4)KO4 tetrahedra,  a cornercorner with one Li(12)O4 tetrahedra,  a cornercorner with one Fe(2)O4 tetrahedra,  a cornercorner with one Fe(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one Li(4)KO4 tetrahedra,  an edgeedge with one Li(6)O4 tetrahedra, and  an edgeedge with one Fe(1)O4 tetrahedra. In the ninth Li site, Li(9) is bonded in a bent 150 degrees geometry to one K(7), one O(10), and one O(6) atom. In the tenth Li site, Li(10) is bonded in a distorted trigonal non-coplanar geometry to one O(1), one O(2), and one O(8) atom. In the eleventh Li site, Li(11) is bonded to one O(15), one O(16), one O(8), and one O(9) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Li(6)O4 tetrahedra, corners with two equivalent Fe(3)O4 tetrahedra,  an edgeedge with one Li(3)O4 tetrahedra, and  an edgeedge with one Fe(2)O4 tetrahedra. In the twelfth Li site, Li(12) is bonded to one O(11), one O(12), one O(14), and one O(3) atom to form LiO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(8)O4 tetrahedra, corners with two equivalent Fe(4)O4 tetrahedra,  an edgeedge with one Li(4)KO4 tetrahedra, and  an edgeedge with one Fe(1)O4 tetrahedra. In the thirteenth Li site, Li(13) is bonded in a 4-coordinate geometry to one O(11), one O(15), one O(3), and one O(4) atom. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(12), one O(13), one O(14), and one O(5) atom to form FeO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)KO4 tetrahedra,  an edgeedge with one Li(1)O4 tetrahedra,  an edgeedge with one Li(12)O4 tetrahedra, and  an edgeedge with one Li(8)O4 tetrahedra. In the second Fe site, Fe(2) is bonded to one O(1), one O(10), one O(15), and one O(8) atom to form distorted FeO4 tetrahedra that share  a cornercorner with one Li(6)O4 tetrahedra,  a cornercorner with one Li(8)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra,  an edgeedge with one Li(11)O4 tetrahedra, and  an edgeedge with one Li(6)O4 tetrahedra. In the third Fe site, Fe(3) is bonded to one O(16), one O(2), one O(6), and one O(9) atom to form FeO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(11)O4 tetrahedra, and  an edgeedge with one Li(3)O4 tetrahedra. In the fourth Fe site, Fe(4) is bonded to one O(11), one O(3), one O(4), and one O(7) atom to form FeO4 tetrahedra that share  a cornercorner with one Li(6)O4 tetrahedra,  a cornercorner with one Li(8)O4 tetrahedra, corners with two equivalent Li(12)O4 tetrahedra, and  an edgeedge with one Li(4)KO4 tetrahedra. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to one K(1), one K(8), one Li(10), one Li(3), one Li(6), and one Fe(2) atom. In the second O site, O(2) is bonded in a 7-coordinate geometry to one K(1), two equivalent K(5), one Li(1), one Li(10), one Li(3), and one Fe(3) atom. In the third O site, O(3) is bonded in a 7-coordinate geometry to one K(2), one K(7), one Li(12), one Li(13), one Li(4), one Li(7), and one Fe(4) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one K(2), one Li(13), one Li(2), one Li(5), and one Fe(4) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one K(2), one K(3), one K(5), one Li(1), one Li(4), one Li(8), and one Fe(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one K(1), two equivalent K(7), one Li(7), one Li(9), and one Fe(3) atom. In the seventh O site, O(7) is bonded in a 7-coordinate geometry to one K(3), two equivalent K(8), one Li(4), one Li(6), one Li(8), and one Fe(4) atom. In the eighth O site, O(8) is bonded in a 7-coordinate geometry to one K(3), one K(5), one Li(10), one Li(11), one Li(3), one Li(6), and one Fe(2) atom. In the ninth O site, O(9) is bonded in a 6-coordinate geometry to one K(4), one K(6), one Li(11), one Li(3), one Li(5), and one Fe(3) atom. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one K(1), one K(5), one Li(6), one Li(8), one Li(9), and one Fe(2) atom. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one K(4), one Li(12), one Li(13), one Li(7), and one Fe(4) atom. In the twelfth O site, O(12) is bonded in a 7-coordinate geometry to one K(6), one K(7), two equivalent K(2), one Li(12), one Li(7), and one Fe(1) atom. In the thirteenth O site, O(13) is bonded in a 3-coordinate geometry to one K(2), one K(3), one Li(1), one Li(2), and one Fe(1) atom. In the fourteenth O site, O(14) is bonded in a 7-coordinate geometry to one K(1), one K(8), one Li(1), one Li(12), one Li(4), one Li(8), and one Fe(1) atom. In the fifteenth O site, O(15) is bonded in a 4-coordinate geometry to one K(7), two equivalent K(4), one Li(11), one Li(13), one Li(5), and one Fe(2) atom. In the sixteenth O site, O(16) is bonded in a 4-coordinate geometry to one K(2), one K(7), one Li(11), one Li(5), and one Fe(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_K8Li13(FeO4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.698
_cell_length_b   8.813
_cell_length_c   10.955
_cell_angle_alpha   89.916
_cell_angle_beta   97.642
_cell_angle_gamma   93.015
_symmetry_Int_Tables_number   1
_cell_volume   544.513
_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
  K  K0  1  0.103  0.003  0.856  1.0
  K  K1  1  0.142  0.751  0.393  1.0
  K  K2  1  0.422  0.505  0.658  1.0
  K  K3  1  0.333  0.247  0.146  1.0
  K  K4  1  0.625  0.761  0.885  1.0
  K  K5  1  0.612  0.559  0.307  1.0
  K  K6  1  0.859  0.940  0.182  1.0
  K  K7  1  0.871  0.253  0.647  1.0
  Li  Li8  1  0.100  0.749  0.696  1.0
  Li  Li9  1  0.972  0.474  0.486  1.0
  Li  Li10  1  0.326  0.478  0.929  1.0
  Li  Li11  1  0.199  0.996  0.571  1.0
  Li  Li12  1  0.081  0.478  0.191  1.0
  Li  Li13  1  0.424  0.257  0.810  1.0
  Li  Li14  1  0.419  0.983  0.300  1.0
  Li  Li15  1  0.571  0.017  0.702  1.0
  Li  Li16  1  0.529  0.048  0.018  1.0
  Li  Li17  1  0.937  0.515  0.835  1.0
  Li  Li18  1  0.697  0.503  0.059  1.0
  Li  Li19  1  0.807  0.031  0.440  1.0
  Li  Li20  1  0.891  0.247  0.298  1.0
  Fe  Fe21  1  0.680  0.794  0.557  1.0
  Fe  Fe22  1  0.841  0.273  0.949  1.0
  Fe  Fe23  1  0.201  0.716  0.057  1.0
  Fe  Fe24  1  0.331  0.226  0.444  1.0
  O  O25  1  0.117  0.319  0.858  1.0
  O  O26  1  0.135  0.696  0.879  1.0
  O  O27  1  0.126  0.058  0.381  1.0
  O  O28  1  0.159  0.405  0.378  1.0
  O  O29  1  0.399  0.818  0.633  1.0
  O  O30  1  0.338  0.921  0.105  1.0
  O  O31  1  0.373  0.197  0.617  1.0
  O  O32  1  0.632  0.452  0.875  1.0
  O  O33  1  0.371  0.539  0.100  1.0
  O  O34  1  0.623  0.083  0.871  1.0
  O  O35  1  0.614  0.200  0.376  1.0
  O  O36  1  0.624  0.840  0.388  1.0
  O  O37  1  0.856  0.610  0.584  1.0
  O  O38  1  0.889  0.954  0.625  1.0
  O  O39  1  0.831  0.284  0.126  1.0
  O  O40  1  0.933  0.662  0.139  1.0
[/CIF]
.
The structure described by K8Li13(FeO4)4 crystallizes in the triclinic P1 space group. There are eight inequivalent K sites. In the first K site, K(1) is bonded in a 5-coordinate geometry to one O(1), one O(10), one O(14), one O(2), and one O(6) atom. In the second K site, K(2) is bonded in a 10-coordinate geometry to one Li(2), one Li(4), one Li(7), one O(13), one O(16), one O(3), one O(4), one O(5), and two equivalent O(12) atoms. In the third K site, K(3) is bonded in a distorted rectangular see-saw-like geometry to one O(13), one O(5), one O(7), and one O(8) atom. In the fourth K site, K(4) is bonded in a 4-coordinate geometry to one O(11), one O(9), and two equivalent O(15) atoms. In the fifth K site, K(5) is bonded in a 5-coordinate geometry to one O(10), one O(5), one O(8), and two equivalent O(2) atoms. In the sixth K site, K(6) is bonded in a 2-coordinate geometry to one O(12) and one O(9) atom. In the seventh K site, K(7) is bonded in a 7-coordinate geometry to one Li(9), one O(12), one O(15), one O(16), one O(3), and two equivalent O(6) atoms. In the eighth K site, K(8) is bonded in a 4-coordinate geometry to one O(1), one O(14), and two equivalent O(7) atoms. There are thirteen inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(13), one O(14), one O(2), and one O(5) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Li(12)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Fe(1)O4 tetrahedra,  a cornercorner with one Fe(3)O4 tetrahedra, corners with two equivalent Li(8)O4 tetrahedra,  an edgeedge with one Li(4)KO4 tetrahedra, and  an edgeedge with one Fe(1)O4 tetrahedra. In the second Li site, Li(2) is bonded in a bent 150 degrees geometry to one K(2), one O(13), and one O(4) atom. In the third Li site, Li(3) is bonded to one O(1), one O(2), one O(8), and one O(9) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Fe(2)O4 tetrahedra,  an edgeedge with one Li(11)O4 tetrahedra,  an edgeedge with one Li(6)O4 tetrahedra, and  an edgeedge with one Fe(3)O4 tetrahedra. In the fourth Li site, Li(4) is bonded to one K(2), one O(14), one O(3), one O(5), and one O(7) atom to form distorted LiKO4 tetrahedra that share  a cornercorner with one Li(6)O4 tetrahedra,  a cornercorner with one Li(8)O4 tetrahedra, corners with two equivalent Fe(1)O4 tetrahedra,  an edgeedge with one Li(1)O4 tetrahedra,  an edgeedge with one Li(12)O4 tetrahedra,  an edgeedge with one Li(8)O4 tetrahedra, and  an edgeedge with one Fe(4)O4 tetrahedra. In the fifth Li site, Li(5) is bonded in a 4-coordinate geometry to one O(15), one O(16), one O(4), and one O(9) atom. In the sixth Li site, Li(6) is bonded to one O(1), one O(10), one O(7), and one O(8) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Li(4)KO4 tetrahedra,  a cornercorner with one Li(11)O4 tetrahedra,  a cornercorner with one Fe(2)O4 tetrahedra,  a cornercorner with one Fe(4)O4 tetrahedra,  an edgeedge with one Li(3)O4 tetrahedra,  an edgeedge with one Li(8)O4 tetrahedra, and  an edgeedge with one Fe(2)O4 tetrahedra. In the seventh Li site, Li(7) is bonded in a 4-coordinate geometry to one K(2), one O(11), one O(12), one O(3), and one O(6) atom. In the eighth Li site, Li(8) is bonded to one O(10), one O(14), one O(5), and one O(7) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Li(4)KO4 tetrahedra,  a cornercorner with one Li(12)O4 tetrahedra,  a cornercorner with one Fe(2)O4 tetrahedra,  a cornercorner with one Fe(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one Li(4)KO4 tetrahedra,  an edgeedge with one Li(6)O4 tetrahedra, and  an edgeedge with one Fe(1)O4 tetrahedra. In the ninth Li site, Li(9) is bonded in a bent 150 degrees geometry to one K(7), one O(10), and one O(6) atom. In the tenth Li site, Li(10) is bonded in a distorted trigonal non-coplanar geometry to one O(1), one O(2), and one O(8) atom. In the eleventh Li site, Li(11) is bonded to one O(15), one O(16), one O(8), and one O(9) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Li(6)O4 tetrahedra, corners with two equivalent Fe(3)O4 tetrahedra,  an edgeedge with one Li(3)O4 tetrahedra, and  an edgeedge with one Fe(2)O4 tetrahedra. In the twelfth Li site, Li(12) is bonded to one O(11), one O(12), one O(14), and one O(3) atom to form LiO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(8)O4 tetrahedra, corners with two equivalent Fe(4)O4 tetrahedra,  an edgeedge with one Li(4)KO4 tetrahedra, and  an edgeedge with one Fe(1)O4 tetrahedra. In the thirteenth Li site, Li(13) is bonded in a 4-coordinate geometry to one O(11), one O(15), one O(3), and one O(4) atom. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(12), one O(13), one O(14), and one O(5) atom to form FeO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)KO4 tetrahedra,  an edgeedge with one Li(1)O4 tetrahedra,  an edgeedge with one Li(12)O4 tetrahedra, and  an edgeedge with one Li(8)O4 tetrahedra. In the second Fe site, Fe(2) is bonded to one O(1), one O(10), one O(15), and one O(8) atom to form distorted FeO4 tetrahedra that share  a cornercorner with one Li(6)O4 tetrahedra,  a cornercorner with one Li(8)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra,  an edgeedge with one Li(11)O4 tetrahedra, and  an edgeedge with one Li(6)O4 tetrahedra. In the third Fe site, Fe(3) is bonded to one O(16), one O(2), one O(6), and one O(9) atom to form FeO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(11)O4 tetrahedra, and  an edgeedge with one Li(3)O4 tetrahedra. In the fourth Fe site, Fe(4) is bonded to one O(11), one O(3), one O(4), and one O(7) atom to form FeO4 tetrahedra that share  a cornercorner with one Li(6)O4 tetrahedra,  a cornercorner with one Li(8)O4 tetrahedra, corners with two equivalent Li(12)O4 tetrahedra, and  an edgeedge with one Li(4)KO4 tetrahedra. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to one K(1), one K(8), one Li(10), one Li(3), one Li(6), and one Fe(2) atom. In the second O site, O(2) is bonded in a 7-coordinate geometry to one K(1), two equivalent K(5), one Li(1), one Li(10), one Li(3), and one Fe(3) atom. In the third O site, O(3) is bonded in a 7-coordinate geometry to one K(2), one K(7), one Li(12), one Li(13), one Li(4), one Li(7), and one Fe(4) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one K(2), one Li(13), one Li(2), one Li(5), and one Fe(4) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one K(2), one K(3), one K(5), one Li(1), one Li(4), one Li(8), and one Fe(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one K(1), two equivalent K(7), one Li(7), one Li(9), and one Fe(3) atom. In the seventh O site, O(7) is bonded in a 7-coordinate geometry to one K(3), two equivalent K(8), one Li(4), one Li(6), one Li(8), and one Fe(4) atom. In the eighth O site, O(8) is bonded in a 7-coordinate geometry to one K(3), one K(5), one Li(10), one Li(11), one Li(3), one Li(6), and one Fe(2) atom. In the ninth O site, O(9) is bonded in a 6-coordinate geometry to one K(4), one K(6), one Li(11), one Li(3), one Li(5), and one Fe(3) atom. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one K(1), one K(5), one Li(6), one Li(8), one Li(9), and one Fe(2) atom. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one K(4), one Li(12), one Li(13), one Li(7), and one Fe(4) atom. In the twelfth O site, O(12) is bonded in a 7-coordinate geometry to one K(6), one K(7), two equivalent K(2), one Li(12), one Li(7), and one Fe(1) atom. In the thirteenth O site, O(13) is bonded in a 3-coordinate geometry to one K(2), one K(3), one Li(1), one Li(2), and one Fe(1) atom. In the fourteenth O site, O(14) is bonded in a 7-coordinate geometry to one K(1), one K(8), one Li(1), one Li(12), one Li(4), one Li(8), and one Fe(1) atom. In the fifteenth O site, O(15) is bonded in a 4-coordinate geometry to one K(7), two equivalent K(4), one Li(11), one Li(13), one Li(5), and one Fe(2) atom. In the sixteenth O site, O(16) is bonded in a 4-coordinate geometry to one K(2), one K(7), one Li(11), one Li(5), and one Fe(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_K8Li13(FeO4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.698
_cell_length_b   8.813
_cell_length_c   10.955
_cell_angle_alpha   89.916
_cell_angle_beta   97.642
_cell_angle_gamma   93.015
_symmetry_Int_Tables_number   1
_cell_volume   544.513
_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
  K  K0  1  0.103  0.003  0.856  1.0
  K  K1  1  0.142  0.751  0.393  1.0
  K  K2  1  0.422  0.505  0.658  1.0
  K  K3  1  0.333  0.247  0.146  1.0
  K  K4  1  0.625  0.761  0.885  1.0
  K  K5  1  0.612  0.559  0.307  1.0
  K  K6  1  0.859  0.940  0.182  1.0
  K  K7  1  0.871  0.253  0.647  1.0
  Li  Li8  1  0.100  0.749  0.696  1.0
  Li  Li9  1  0.972  0.474  0.486  1.0
  Li  Li10  1  0.326  0.478  0.929  1.0
  Li  Li11  1  0.199  0.996  0.571  1.0
  Li  Li12  1  0.081  0.478  0.191  1.0
  Li  Li13  1  0.424  0.257  0.810  1.0
  Li  Li14  1  0.419  0.983  0.300  1.0
  Li  Li15  1  0.571  0.017  0.702  1.0
  Li  Li16  1  0.529  0.048  0.018  1.0
  Li  Li17  1  0.937  0.515  0.835  1.0
  Li  Li18  1  0.697  0.503  0.059  1.0
  Li  Li19  1  0.807  0.031  0.440  1.0
  Li  Li20  1  0.891  0.247  0.298  1.0
  Fe  Fe21  1  0.680  0.794  0.557  1.0
  Fe  Fe22  1  0.841  0.273  0.949  1.0
  Fe  Fe23  1  0.201  0.716  0.057  1.0
  Fe  Fe24  1  0.331  0.226  0.444  1.0
  O  O25  1  0.117  0.319  0.858  1.0
  O  O26  1  0.135  0.696  0.879  1.0
  O  O27  1  0.126  0.058  0.381  1.0
  O  O28  1  0.159  0.405  0.378  1.0
  O  O29  1  0.399  0.818  0.633  1.0
  O  O30  1  0.338  0.921  0.105  1.0
  O  O31  1  0.373  0.197  0.617  1.0
  O  O32  1  0.632  0.452  0.875  1.0
  O  O33  1  0.371  0.539  0.100  1.0
  O  O34  1  0.623  0.083  0.871  1.0
  O  O35  1  0.614  0.200  0.376  1.0
  O  O36  1  0.624  0.840  0.388  1.0
  O  O37  1  0.856  0.610  0.584  1.0
  O  O38  1  0.889  0.954  0.625  1.0
  O  O39  1  0.831  0.284  0.126  1.0
  O  O40  1  0.933  0.662  0.139  1.0
[/CIF]
.