The material structure described by K4Li3(FeO4)2 crystallizes in the triclinic P1 space group. There are eight inequivalent K sites. In the first K site, K(1) is bonded in a 6-coordinate geometry to one O(1), one O(14), one O(2), one O(7), and two equivalent O(10) atoms. In the second K site, K(2) is bonded in a 5-coordinate geometry to one O(15), one O(3), one O(5), and two equivalent O(11) atoms. In the third K site, K(3) is bonded in a 5-coordinate geometry to one O(13), one O(4), one O(5), one O(6), and one O(9) atom. In the fourth K site, K(4) is bonded in a 7-coordinate geometry to one O(12), one O(2), one O(3), one O(7), one O(8), and two equivalent O(16) atoms. In the fifth K site, K(5) is bonded in a 6-coordinate geometry to one O(10), one O(15), one O(5), one O(9), and two equivalent O(1) atoms. In the sixth K site, K(6) is bonded in a 5-coordinate geometry to one O(11), one O(12), one O(13), one O(4), and one O(8) atom. In the seventh K site, K(7) is bonded in a 7-coordinate geometry to one O(12), one O(13), one O(14), one O(2), one O(4), and two equivalent O(6) atoms. In the eighth K site, K(8) is bonded in a 7-coordinate geometry to one O(10), one O(11), one O(15), one O(16), one O(3), and two equivalent O(7) atoms. There are six inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(13), one O(14), and one O(5) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Li(5)O4 tetrahedra,  a cornercorner with one Fe(1)O4 tetrahedra,  a cornercorner with one Fe(3)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra,  a cornercorner with one Li(2)O4 trigonal pyramid, and  an edgeedge with one Fe(3)O4 tetrahedra. In the second Li site, Li(2) is bonded to one O(1), one O(2), one O(8), and one O(9) atom to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Fe(4)O4 tetrahedra,  an edgeedge with one Fe(1)O4 tetrahedra, and  an edgeedge with one Li(4)O4 trigonal pyramid. In the third Li site, Li(3) is bonded to one O(10), one O(14), one O(5), and one O(6) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Li(5)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, and  an edgeedge with one Fe(3)O4 tetrahedra. In the fourth Li site, Li(4) is bonded to one O(15), one O(16), one O(8), and one O(9) atom to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Li(6)O4 tetrahedra, corners with two equivalent Fe(1)O4 tetrahedra,  an edgeedge with one Fe(4)O4 tetrahedra, and  an edgeedge with one Li(2)O4 trigonal pyramid. In the fifth Li site, Li(5) is bonded to one O(11), one O(12), one O(14), and one O(3) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra, corners with two equivalent Fe(2)O4 tetrahedra,  an edgeedge with one Li(6)O4 tetrahedra, and  an edgeedge with one Fe(3)O4 tetrahedra. In the sixth Li site, Li(6) is bonded to one O(12), one O(16), one O(3), and one O(4) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Fe(2)O4 tetrahedra,  a cornercorner with one Fe(4)O4 tetrahedra,  a cornercorner with one Li(4)O4 trigonal pyramid,  an edgeedge with one Li(5)O4 tetrahedra, and  an edgeedge with one Fe(2)O4 tetrahedra. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(15), one O(7), and one O(8) atom to form FeO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 trigonal pyramids, and  an edgeedge with one Li(2)O4 trigonal pyramid. In the second Fe site, Fe(2) is bonded to one O(12), one O(3), one O(4), and one O(6) atom to form FeO4 tetrahedra that share  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra, corners with two equivalent Li(5)O4 tetrahedra, and  an edgeedge with one Li(6)O4 tetrahedra. In the third Fe site, Fe(3) is bonded to one O(11), 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,  an edgeedge with one Li(1)O4 tetrahedra,  an edgeedge with one Li(3)O4 tetrahedra, and  an edgeedge with one Li(5)O4 tetrahedra. In the fourth Fe site, Fe(4) is bonded to one O(10), one O(16), one O(2), and one O(9) atom to form FeO4 tetrahedra that share  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra, corners with two equivalent Li(2)O4 trigonal pyramids, and  an edgeedge with one Li(4)O4 trigonal pyramid. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to one K(1), two equivalent K(5), one Li(1), one Li(2), and one Fe(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one K(1), one K(4), one K(7), one Li(2), and one Fe(4) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one K(2), one K(4), one K(8), one Li(5), one Li(6), and one Fe(2) atom. In the fourth O site, O(4) is bonded in a distorted L-shaped geometry to one K(3), one K(6), one K(7), one Li(6), and one Fe(2) atom. In the fifth O site, O(5) is bonded in a 6-coordinate geometry to one K(2), one K(3), one K(5), one Li(1), one Li(3), and one Fe(3) atom. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to one K(3), two equivalent K(7), one Li(3), and one Fe(2) atom. In the seventh O site, O(7) is bonded in a 5-coordinate geometry to one K(1), one K(4), two equivalent K(8), and one Fe(1) atom. In the eighth O site, O(8) is bonded in a 5-coordinate geometry to one K(4), one K(6), one Li(2), one Li(4), and one Fe(1) atom. In the ninth O site, O(9) is bonded in a 5-coordinate geometry to one K(3), one K(5), one Li(2), one Li(4), and one Fe(4) atom. In the tenth O site, O(10) is bonded in a distorted bent 120 degrees geometry to one K(5), one K(8), two equivalent K(1), one Li(3), and one Fe(4) atom. In the eleventh O site, O(11) is bonded in a 6-coordinate geometry to one K(6), one K(8), two equivalent K(2), one Li(5), and one Fe(3) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one K(4), one K(6), one K(7), one Li(5), one Li(6), and one Fe(2) atom. In the thirteenth O site, O(13) is bonded in a 5-coordinate geometry to one K(3), one K(6), one K(7), one Li(1), and one Fe(3) atom. In the fourteenth O site, O(14) is bonded in a 4-coordinate geometry to one K(1), one K(7), one Li(1), one Li(3), one Li(5), and one Fe(3) atom. In the fifteenth O site, O(15) is bonded in a distorted bent 120 degrees geometry to one K(2), one K(5), one K(8), one Li(4), and one Fe(1) atom. In the sixteenth O site, O(16) is bonded in a 6-coordinate geometry to one K(8), two equivalent K(4), one Li(4), one Li(6), and one Fe(4) atom. is represented by the CIF card [CIF]
data_K4Li3(FeO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.578
_cell_length_b   8.788
_cell_length_c   10.779
_cell_angle_alpha   87.610
_cell_angle_beta   80.159
_cell_angle_gamma   86.946
_symmetry_Int_Tables_number   1
_cell_volume   519.574
_cell_formula_units_Z   2
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  0.186  0.963  0.156  1.0
  K  K1  1  0.156  0.220  0.619  1.0
  K  K2  1  0.407  0.521  0.332  1.0
  K  K3  1  0.306  0.771  0.869  1.0
  K  K4  1  0.672  0.250  0.118  1.0
  K  K5  1  0.631  0.469  0.658  1.0
  K  K6  1  0.901  0.708  0.383  1.0
  K  K7  1  0.769  0.041  0.856  1.0
  Li  Li8  1  0.100  0.242  0.304  1.0
  Li  Li9  1  0.267  0.516  0.071  1.0
  Li  Li10  1  0.599  0.978  0.299  1.0
  Li  Li11  1  0.721  0.505  0.925  1.0
  Li  Li12  1  0.808  0.974  0.553  1.0
  Li  Li13  1  0.898  0.744  0.710  1.0
  Fe  Fe14  1  0.204  0.286  0.943  1.0
  Fe  Fe15  1  0.328  0.796  0.562  1.0
  Fe  Fe16  1  0.676  0.213  0.435  1.0
  Fe  Fe17  1  0.774  0.727  0.065  1.0
  O  O18  1  0.161  0.293  0.111  1.0
  O  O19  1  0.050  0.685  0.128  1.0
  O  O20  1  0.092  0.918  0.640  1.0
  O  O21  1  0.175  0.626  0.600  1.0
  O  O22  1  0.420  0.210  0.350  1.0
  O  O23  1  0.418  0.816  0.399  1.0
  O  O24  1  0.299  0.097  0.921  1.0
  O  O25  1  0.388  0.443  0.892  1.0
  O  O26  1  0.603  0.556  0.100  1.0
  O  O27  1  0.691  0.919  0.117  1.0
  O  O28  1  0.670  0.178  0.600  1.0
  O  O29  1  0.615  0.789  0.615  1.0
  O  O30  1  0.822  0.393  0.403  1.0
  O  O31  1  0.868  0.048  0.371  1.0
  O  O32  1  0.945  0.330  0.873  1.0
  O  O33  1  0.794  0.728  0.890  1.0
[/CIF]
.
The material structure described by K4Li3(FeO4)2 crystallizes in the triclinic P1 space group. There are eight inequivalent K sites. In the first K site, K(1) is bonded in a 6-coordinate geometry to one O(1), one O(14), one O(2), one O(7), and two equivalent O(10) atoms. In the second K site, K(2) is bonded in a 5-coordinate geometry to one O(15), one O(3), one O(5), and two equivalent O(11) atoms. In the third K site, K(3) is bonded in a 5-coordinate geometry to one O(13), one O(4), one O(5), one O(6), and one O(9) atom. In the fourth K site, K(4) is bonded in a 7-coordinate geometry to one O(12), one O(2), one O(3), one O(7), one O(8), and two equivalent O(16) atoms. In the fifth K site, K(5) is bonded in a 6-coordinate geometry to one O(10), one O(15), one O(5), one O(9), and two equivalent O(1) atoms. In the sixth K site, K(6) is bonded in a 5-coordinate geometry to one O(11), one O(12), one O(13), one O(4), and one O(8) atom. In the seventh K site, K(7) is bonded in a 7-coordinate geometry to one O(12), one O(13), one O(14), one O(2), one O(4), and two equivalent O(6) atoms. In the eighth K site, K(8) is bonded in a 7-coordinate geometry to one O(10), one O(11), one O(15), one O(16), one O(3), and two equivalent O(7) atoms. There are six inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(13), one O(14), and one O(5) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Li(5)O4 tetrahedra,  a cornercorner with one Fe(1)O4 tetrahedra,  a cornercorner with one Fe(3)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra,  a cornercorner with one Li(2)O4 trigonal pyramid, and  an edgeedge with one Fe(3)O4 tetrahedra. In the second Li site, Li(2) is bonded to one O(1), one O(2), one O(8), and one O(9) atom to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Fe(4)O4 tetrahedra,  an edgeedge with one Fe(1)O4 tetrahedra, and  an edgeedge with one Li(4)O4 trigonal pyramid. In the third Li site, Li(3) is bonded to one O(10), one O(14), one O(5), and one O(6) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Li(5)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, and  an edgeedge with one Fe(3)O4 tetrahedra. In the fourth Li site, Li(4) is bonded to one O(15), one O(16), one O(8), and one O(9) atom to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Li(6)O4 tetrahedra, corners with two equivalent Fe(1)O4 tetrahedra,  an edgeedge with one Fe(4)O4 tetrahedra, and  an edgeedge with one Li(2)O4 trigonal pyramid. In the fifth Li site, Li(5) is bonded to one O(11), one O(12), one O(14), and one O(3) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra, corners with two equivalent Fe(2)O4 tetrahedra,  an edgeedge with one Li(6)O4 tetrahedra, and  an edgeedge with one Fe(3)O4 tetrahedra. In the sixth Li site, Li(6) is bonded to one O(12), one O(16), one O(3), and one O(4) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Fe(2)O4 tetrahedra,  a cornercorner with one Fe(4)O4 tetrahedra,  a cornercorner with one Li(4)O4 trigonal pyramid,  an edgeedge with one Li(5)O4 tetrahedra, and  an edgeedge with one Fe(2)O4 tetrahedra. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(15), one O(7), and one O(8) atom to form FeO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 trigonal pyramids, and  an edgeedge with one Li(2)O4 trigonal pyramid. In the second Fe site, Fe(2) is bonded to one O(12), one O(3), one O(4), and one O(6) atom to form FeO4 tetrahedra that share  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra, corners with two equivalent Li(5)O4 tetrahedra, and  an edgeedge with one Li(6)O4 tetrahedra. In the third Fe site, Fe(3) is bonded to one O(11), 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,  an edgeedge with one Li(1)O4 tetrahedra,  an edgeedge with one Li(3)O4 tetrahedra, and  an edgeedge with one Li(5)O4 tetrahedra. In the fourth Fe site, Fe(4) is bonded to one O(10), one O(16), one O(2), and one O(9) atom to form FeO4 tetrahedra that share  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra, corners with two equivalent Li(2)O4 trigonal pyramids, and  an edgeedge with one Li(4)O4 trigonal pyramid. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to one K(1), two equivalent K(5), one Li(1), one Li(2), and one Fe(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one K(1), one K(4), one K(7), one Li(2), and one Fe(4) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one K(2), one K(4), one K(8), one Li(5), one Li(6), and one Fe(2) atom. In the fourth O site, O(4) is bonded in a distorted L-shaped geometry to one K(3), one K(6), one K(7), one Li(6), and one Fe(2) atom. In the fifth O site, O(5) is bonded in a 6-coordinate geometry to one K(2), one K(3), one K(5), one Li(1), one Li(3), and one Fe(3) atom. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to one K(3), two equivalent K(7), one Li(3), and one Fe(2) atom. In the seventh O site, O(7) is bonded in a 5-coordinate geometry to one K(1), one K(4), two equivalent K(8), and one Fe(1) atom. In the eighth O site, O(8) is bonded in a 5-coordinate geometry to one K(4), one K(6), one Li(2), one Li(4), and one Fe(1) atom. In the ninth O site, O(9) is bonded in a 5-coordinate geometry to one K(3), one K(5), one Li(2), one Li(4), and one Fe(4) atom. In the tenth O site, O(10) is bonded in a distorted bent 120 degrees geometry to one K(5), one K(8), two equivalent K(1), one Li(3), and one Fe(4) atom. In the eleventh O site, O(11) is bonded in a 6-coordinate geometry to one K(6), one K(8), two equivalent K(2), one Li(5), and one Fe(3) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one K(4), one K(6), one K(7), one Li(5), one Li(6), and one Fe(2) atom. In the thirteenth O site, O(13) is bonded in a 5-coordinate geometry to one K(3), one K(6), one K(7), one Li(1), and one Fe(3) atom. In the fourteenth O site, O(14) is bonded in a 4-coordinate geometry to one K(1), one K(7), one Li(1), one Li(3), one Li(5), and one Fe(3) atom. In the fifteenth O site, O(15) is bonded in a distorted bent 120 degrees geometry to one K(2), one K(5), one K(8), one Li(4), and one Fe(1) atom. In the sixteenth O site, O(16) is bonded in a 6-coordinate geometry to one K(8), two equivalent K(4), one Li(4), one Li(6), and one Fe(4) atom. is represented by the CIF card [CIF]
data_K4Li3(FeO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.578
_cell_length_b   8.788
_cell_length_c   10.779
_cell_angle_alpha   87.610
_cell_angle_beta   80.159
_cell_angle_gamma   86.946
_symmetry_Int_Tables_number   1
_cell_volume   519.574
_cell_formula_units_Z   2
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  0.186  0.963  0.156  1.0
  K  K1  1  0.156  0.220  0.619  1.0
  K  K2  1  0.407  0.521  0.332  1.0
  K  K3  1  0.306  0.771  0.869  1.0
  K  K4  1  0.672  0.250  0.118  1.0
  K  K5  1  0.631  0.469  0.658  1.0
  K  K6  1  0.901  0.708  0.383  1.0
  K  K7  1  0.769  0.041  0.856  1.0
  Li  Li8  1  0.100  0.242  0.304  1.0
  Li  Li9  1  0.267  0.516  0.071  1.0
  Li  Li10  1  0.599  0.978  0.299  1.0
  Li  Li11  1  0.721  0.505  0.925  1.0
  Li  Li12  1  0.808  0.974  0.553  1.0
  Li  Li13  1  0.898  0.744  0.710  1.0
  Fe  Fe14  1  0.204  0.286  0.943  1.0
  Fe  Fe15  1  0.328  0.796  0.562  1.0
  Fe  Fe16  1  0.676  0.213  0.435  1.0
  Fe  Fe17  1  0.774  0.727  0.065  1.0
  O  O18  1  0.161  0.293  0.111  1.0
  O  O19  1  0.050  0.685  0.128  1.0
  O  O20  1  0.092  0.918  0.640  1.0
  O  O21  1  0.175  0.626  0.600  1.0
  O  O22  1  0.420  0.210  0.350  1.0
  O  O23  1  0.418  0.816  0.399  1.0
  O  O24  1  0.299  0.097  0.921  1.0
  O  O25  1  0.388  0.443  0.892  1.0
  O  O26  1  0.603  0.556  0.100  1.0
  O  O27  1  0.691  0.919  0.117  1.0
  O  O28  1  0.670  0.178  0.600  1.0
  O  O29  1  0.615  0.789  0.615  1.0
  O  O30  1  0.822  0.393  0.403  1.0
  O  O31  1  0.868  0.048  0.371  1.0
  O  O32  1  0.945  0.330  0.873  1.0
  O  O33  1  0.794  0.728  0.890  1.0
[/CIF]
.