The structure described by Li7Fe3O8 crystallizes in the triclinic P-1 space group. There are seven inequivalent Li sites. In the first Li site, Li(1) is bonded in a 1-coordinate geometry to one Li(6), one Fe(2), and one O(4) atom. In the second Li site, Li(2) is bonded in a 3-coordinate geometry to one O(2), one O(3), and one O(4) atom. In the third Li site, Li(3) is bonded in a 2-coordinate geometry to one O(2), one O(5), and one O(6) atom. In the fourth Li site, Li(4) is bonded in a 2-coordinate geometry to one O(4) and one O(5) atom. In the fifth Li site, Li(5) is bonded in a single-bond geometry to one O(7) and two equivalent O(8) atoms. In the sixth Li site, Li(6) is bonded in a 5-coordinate geometry to one Li(1), one Fe(1), one Fe(3), one O(1), and one O(2) atom. In the seventh Li site, Li(7) is bonded in a 2-coordinate geometry to one O(7) and one O(8) atom. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 1-coordinate geometry to one Li(6), one O(1), and one O(2) atom. In the second Fe site, Fe(2) is bonded in a 3-coordinate geometry to one Li(1), one O(1), and one O(4) atom. In the third Fe site, Fe(3) is bonded in a distorted single-bond geometry to one Li(6), one O(6), and two equivalent O(8) atoms. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to one Li(6), one Fe(1), and one Fe(2) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Li(2), one Li(3), one Li(6), and one Fe(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Li(2) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one Li(4), and one Fe(2) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one Li(3) and one Li(4) atom. In the sixth O site, O(6) is bonded in a distorted linear geometry to one Li(3) and one Fe(3) atom. In the seventh O site, O(7) is bonded in a single-bond geometry to one Li(5) and one Li(7) atom. In the eighth O site, O(8) is bonded in a 5-coordinate geometry to one Li(7), two equivalent Li(5), and two equivalent Fe(3) atoms. is represented by the CIF file [CIF]
data_Li7Fe3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.551
_cell_length_b   7.752
_cell_length_c   10.463
_cell_angle_alpha   111.130
_cell_angle_beta   86.041
_cell_angle_gamma   109.140
_symmetry_Int_Tables_number   1
_cell_volume   396.063
_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
  Li  Li0  1  0.285  0.183  0.933  1.0
  Li  Li1  1  0.317  0.621  0.946  1.0
  Li  Li2  1  0.144  0.537  0.666  1.0
  Li  Li3  1  0.468  0.825  0.722  1.0
  Li  Li4  1  0.581  0.799  0.561  1.0
  Li  Li5  1  0.460  0.188  0.780  1.0
  Li  Li6  1  0.284  0.579  0.484  1.0
  Li  Li7  1  0.716  0.421  0.516  1.0
  Li  Li8  1  0.540  0.812  0.220  1.0
  Li  Li9  1  0.419  0.201  0.439  1.0
  Li  Li10  1  0.532  0.175  0.278  1.0
  Li  Li11  1  0.856  0.463  0.334  1.0
  Li  Li12  1  0.683  0.379  0.054  1.0
  Li  Li13  1  0.715  0.817  0.067  1.0
  Fe  Fe14  1  0.808  0.420  0.854  1.0
  Fe  Fe15  1  0.948  0.991  0.838  1.0
  Fe  Fe16  1  0.060  0.068  0.622  1.0
  Fe  Fe17  1  0.940  0.932  0.378  1.0
  Fe  Fe18  1  0.052  0.009  0.162  1.0
  Fe  Fe19  1  0.192  0.580  0.146  1.0
  O  O20  1  0.910  0.218  0.845  1.0
  O  O21  1  0.486  0.488  0.763  1.0
  O  O22  1  0.266  0.860  0.953  1.0
  O  O23  1  0.649  0.760  0.876  1.0
  O  O24  1  0.100  0.693  0.797  1.0
  O  O25  1  0.076  0.270  0.659  1.0
  O  O26  1  0.632  0.754  0.460  1.0
  O  O27  1  0.236  0.886  0.482  1.0
  O  O28  1  0.764  0.114  0.518  1.0
  O  O29  1  0.368  0.246  0.540  1.0
  O  O30  1  0.924  0.730  0.341  1.0
  O  O31  1  0.900  0.307  0.203  1.0
  O  O32  1  0.351  0.240  0.124  1.0
  O  O33  1  0.734  0.140  0.047  1.0
  O  O34  1  0.514  0.512  0.237  1.0
  O  O35  1  0.090  0.782  0.155  1.0
[/CIF]
.
The structure described by Li7Fe3O8 crystallizes in the triclinic P-1 space group. There are seven inequivalent Li sites. In the first Li site, Li(1) is bonded in a 1-coordinate geometry to one Li(6), one Fe(2), and one O(4) atom. In the second Li site, Li(2) is bonded in a 3-coordinate geometry to one O(2), one O(3), and one O(4) atom. In the third Li site, Li(3) is bonded in a 2-coordinate geometry to one O(2), one O(5), and one O(6) atom. In the fourth Li site, Li(4) is bonded in a 2-coordinate geometry to one O(4) and one O(5) atom. In the fifth Li site, Li(5) is bonded in a single-bond geometry to one O(7) and two equivalent O(8) atoms. In the sixth Li site, Li(6) is bonded in a 5-coordinate geometry to one Li(1), one Fe(1), one Fe(3), one O(1), and one O(2) atom. In the seventh Li site, Li(7) is bonded in a 2-coordinate geometry to one O(7) and one O(8) atom. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 1-coordinate geometry to one Li(6), one O(1), and one O(2) atom. In the second Fe site, Fe(2) is bonded in a 3-coordinate geometry to one Li(1), one O(1), and one O(4) atom. In the third Fe site, Fe(3) is bonded in a distorted single-bond geometry to one Li(6), one O(6), and two equivalent O(8) atoms. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to one Li(6), one Fe(1), and one Fe(2) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Li(2), one Li(3), one Li(6), and one Fe(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Li(2) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one Li(4), and one Fe(2) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one Li(3) and one Li(4) atom. In the sixth O site, O(6) is bonded in a distorted linear geometry to one Li(3) and one Fe(3) atom. In the seventh O site, O(7) is bonded in a single-bond geometry to one Li(5) and one Li(7) atom. In the eighth O site, O(8) is bonded in a 5-coordinate geometry to one Li(7), two equivalent Li(5), and two equivalent Fe(3) atoms. is represented by the CIF file [CIF]
data_Li7Fe3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.551
_cell_length_b   7.752
_cell_length_c   10.463
_cell_angle_alpha   111.130
_cell_angle_beta   86.041
_cell_angle_gamma   109.140
_symmetry_Int_Tables_number   1
_cell_volume   396.063
_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
  Li  Li0  1  0.285  0.183  0.933  1.0
  Li  Li1  1  0.317  0.621  0.946  1.0
  Li  Li2  1  0.144  0.537  0.666  1.0
  Li  Li3  1  0.468  0.825  0.722  1.0
  Li  Li4  1  0.581  0.799  0.561  1.0
  Li  Li5  1  0.460  0.188  0.780  1.0
  Li  Li6  1  0.284  0.579  0.484  1.0
  Li  Li7  1  0.716  0.421  0.516  1.0
  Li  Li8  1  0.540  0.812  0.220  1.0
  Li  Li9  1  0.419  0.201  0.439  1.0
  Li  Li10  1  0.532  0.175  0.278  1.0
  Li  Li11  1  0.856  0.463  0.334  1.0
  Li  Li12  1  0.683  0.379  0.054  1.0
  Li  Li13  1  0.715  0.817  0.067  1.0
  Fe  Fe14  1  0.808  0.420  0.854  1.0
  Fe  Fe15  1  0.948  0.991  0.838  1.0
  Fe  Fe16  1  0.060  0.068  0.622  1.0
  Fe  Fe17  1  0.940  0.932  0.378  1.0
  Fe  Fe18  1  0.052  0.009  0.162  1.0
  Fe  Fe19  1  0.192  0.580  0.146  1.0
  O  O20  1  0.910  0.218  0.845  1.0
  O  O21  1  0.486  0.488  0.763  1.0
  O  O22  1  0.266  0.860  0.953  1.0
  O  O23  1  0.649  0.760  0.876  1.0
  O  O24  1  0.100  0.693  0.797  1.0
  O  O25  1  0.076  0.270  0.659  1.0
  O  O26  1  0.632  0.754  0.460  1.0
  O  O27  1  0.236  0.886  0.482  1.0
  O  O28  1  0.764  0.114  0.518  1.0
  O  O29  1  0.368  0.246  0.540  1.0
  O  O30  1  0.924  0.730  0.341  1.0
  O  O31  1  0.900  0.307  0.203  1.0
  O  O32  1  0.351  0.240  0.124  1.0
  O  O33  1  0.734  0.140  0.047  1.0
  O  O34  1  0.514  0.512  0.237  1.0
  O  O35  1  0.090  0.782  0.155  1.0
[/CIF]
.