The crystal structure described by Li7Fe6(SiO4)6 crystallizes in the triclinic P1 space group. There are seven inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one O(15), one O(20), one O(23), and one O(3) atom. In the second Li site, Li(2) is bonded to one O(10), one O(2), one O(24), and one O(8) atom to form LiO4 tetrahedra that share  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Fe(3)O4 tetrahedra,  a cornercorner with one Fe(4)O4 tetrahedra,  a cornercorner with one Fe(5)O4 tetrahedra,  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(2)O4 tetrahedra,  a cornercorner with one Si(4)O4 tetrahedra, and  a cornercorner with one Si(6)O4 tetrahedra. In the third Li site, Li(3) is bonded to one O(12), one O(13), one O(2), and one O(4) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(7)O4 tetrahedra,  a cornercorner with one Fe(3)O4 tetrahedra,  a cornercorner with one Fe(6)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra,  a cornercorner with one Si(4)O4 tetrahedra,  an edgeedge with one Li(4)O4 tetrahedra, and  an edgeedge with one Si(1)O4 tetrahedra. In the fourth Li site, Li(4) is bonded to one O(13), one O(17), one O(4), and one O(9) 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 Fe(6)O4 tetrahedra,  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(2)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra,  a cornercorner with one Si(5)O4 tetrahedra, and  an edgeedge with one Li(3)O4 tetrahedra. In the fifth Li site, Li(5) is bonded to one O(11), one O(14), one O(18), and one O(5) atom to form LiO4 tetrahedra that share  a cornercorner with one Fe(2)O4 tetrahedra,  a cornercorner with one Fe(4)O4 tetrahedra,  a cornercorner with one Fe(6)O4 tetrahedra,  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(2)O4 tetrahedra,  a cornercorner with one Si(4)O4 tetrahedra, and  a cornercorner with one Si(6)O4 tetrahedra. In the sixth Li site, Li(6) is bonded to one O(16), one O(19), one O(21), and one O(7) atom to form LiO4 tetrahedra that share  a cornercorner with one Fe(2)O4 tetrahedra,  a cornercorner with one Fe(3)O4 tetrahedra,  a cornercorner with one Fe(5)O4 tetrahedra,  a cornercorner with one Fe(6)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra,  a cornercorner with one Si(4)O4 tetrahedra,  a cornercorner with one Si(5)O4 tetrahedra, and  a cornercorner with one Si(6)O4 tetrahedra. In the seventh Li site, Li(7) is bonded to one O(1), one O(12), one O(22), and one O(6) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Fe(3)O4 tetrahedra,  a cornercorner with one Fe(4)O4 tetrahedra,  a cornercorner with one Fe(5)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra,  a cornercorner with one Si(4)O4 tetrahedra,  a cornercorner with one Si(5)O4 tetrahedra, and  a cornercorner with one Si(6)O4 tetrahedra. There are six inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 4-coordinate geometry to one O(12), one O(13), one O(18), and one O(8) atom. In the second Fe site, Fe(2) is bonded to one O(11), one O(17), one O(21), and one O(23) atom to form FeO4 tetrahedra that share  a cornercorner with one Li(4)O4 tetrahedra,  a cornercorner with one Li(5)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra,  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(2)O4 tetrahedra,  a cornercorner with one Si(5)O4 tetrahedra, and  a cornercorner with one Si(6)O4 tetrahedra. In the third Fe site, Fe(3) is bonded to one O(1), one O(16), one O(2), and one O(20) atom to form FeO4 tetrahedra that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra,  a cornercorner with one Li(7)O4 tetrahedra,  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra,  a cornercorner with one Si(4)O4 tetrahedra, and  a cornercorner with one Si(5)O4 tetrahedra. In the fourth Fe site, Fe(4) is bonded to one O(22), one O(24), one O(5), and one O(9) atom to form FeO4 tetrahedra that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra,  a cornercorner with one Li(5)O4 tetrahedra,  a cornercorner with one Li(7)O4 tetrahedra,  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(2)O4 tetrahedra,  a cornercorner with one Si(5)O4 tetrahedra, and  a cornercorner with one Si(6)O4 tetrahedra. In the fifth Fe site, Fe(5) is bonded to one O(10), one O(3), one O(6), and one O(7) atom to form FeO4 tetrahedra that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra,  a cornercorner with one Li(7)O4 tetrahedra,  a cornercorner with one Si(2)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra,  a cornercorner with one Si(4)O4 tetrahedra, and  a cornercorner with one Si(6)O4 tetrahedra. In the sixth Fe site, Fe(6) is bonded to one O(14), one O(15), one O(19), and one O(4) atom to form FeO4 tetrahedra that share  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra,  a cornercorner with one Li(5)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra,  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra,  a cornercorner with one Si(4)O4 tetrahedra, and  a cornercorner with one Si(5)O4 tetrahedra. There are six inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(2), one O(23), one O(4), and one O(5) atom to form SiO4 tetrahedra that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra,  a cornercorner with one Li(5)O4 tetrahedra,  a cornercorner with one Fe(2)O4 tetrahedra,  a cornercorner with one Fe(3)O4 tetrahedra,  a cornercorner with one Fe(4)O4 tetrahedra,  a cornercorner with one Fe(6)O4 tetrahedra, and  an edgeedge with one Li(3)O4 tetrahedra. In the second Si site, Si(2) is bonded to one O(11), one O(3), one O(8), and one O(9) atom to form SiO4 tetrahedra that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra,  a cornercorner with one Li(5)O4 tetrahedra,  a cornercorner with one Fe(2)O4 tetrahedra,  a cornercorner with one Fe(4)O4 tetrahedra, and  a cornercorner with one Fe(5)O4 tetrahedra. In the third Si site, Si(3) is bonded to one O(1), one O(13), one O(15), and one O(7) atom to form SiO4 tetrahedra that share  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra,  a cornercorner with one Li(7)O4 tetrahedra,  a cornercorner with one Fe(3)O4 tetrahedra,  a cornercorner with one Fe(5)O4 tetrahedra, and  a cornercorner with one Fe(6)O4 tetrahedra. In the fourth Si site, Si(4) is bonded to one O(10), one O(12), one O(14), and one O(16) atom to form SiO4 tetrahedra that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(5)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra,  a cornercorner with one Li(7)O4 tetrahedra,  a cornercorner with one Fe(3)O4 tetrahedra,  a cornercorner with one Fe(5)O4 tetrahedra, and  a cornercorner with one Fe(6)O4 tetrahedra. In the fifth Si site, Si(5) is bonded to one O(17), one O(19), one O(20), and one O(22) atom to form SiO4 tetrahedra that share  a cornercorner with one Li(4)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra,  a cornercorner with one Li(7)O4 tetrahedra,  a cornercorner with one Fe(2)O4 tetrahedra,  a cornercorner with one Fe(3)O4 tetrahedra,  a cornercorner with one Fe(4)O4 tetrahedra, and  a cornercorner with one Fe(6)O4 tetrahedra. In the sixth Si site, Si(6) is bonded to one O(18), one O(21), one O(24), and one O(6) atom to form SiO4 tetrahedra that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(5)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra,  a cornercorner with one Li(7)O4 tetrahedra,  a cornercorner with one Fe(2)O4 tetrahedra,  a cornercorner with one Fe(4)O4 tetrahedra, and  a cornercorner with one Fe(5)O4 tetrahedra. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(7), one Fe(3), and one Si(3) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Li(2), one Li(3), one Fe(3), and one Si(1) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Li(1), one Fe(5), and one Si(2) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Li(3), one Li(4), one Fe(6), and one Si(1) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Li(5), one Fe(4), and one Si(1) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Li(7), one Fe(5), and one Si(6) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Li(6), one Fe(5), and one Si(3) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Li(2), one Fe(1), and one Si(2) atom. In the ninth O site, O(9) is bonded in a trigonal planar geometry to one Li(4), one Fe(4), and one Si(2) atom. In the tenth O site, O(10) is bonded in a trigonal planar geometry to one Li(2), one Fe(5), and one Si(4) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Li(5), one Fe(2), and one Si(2) atom. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one Li(3), one Li(7), one Fe(1), and one Si(4) atom. In the thirteenth O site, O(13) is bonded in a 4-coordinate geometry to one Li(3), one Li(4), one Fe(1), and one Si(3) atom. In the fourteenth O site, O(14) is bonded in a trigonal planar geometry to one Li(5), one Fe(6), and one Si(4) atom. In the fifteenth O site, O(15) is bonded in a trigonal planar geometry to one Li(1), one Fe(6), and one Si(3) atom. In the sixteenth O site, O(16) is bonded in a trigonal planar geometry to one Li(6), one Fe(3), and one Si(4) atom. In the seventeenth O site, O(17) is bonded in a distorted trigonal planar geometry to one Li(4), one Fe(2), and one Si(5) atom. In the eighteenth O site, O(18) is bonded in a distorted trigonal planar geometry to one Li(5), one Fe(1), and one Si(6) atom. In the nineteenth O site, O(19) is bonded in a trigonal planar geometry to one Li(6), one Fe(6), and one Si(5) atom. In the twentieth O site, O(20) is bonded in a distorted trigonal planar geometry to one Li(1), one Fe(3), and one Si(5) atom. In the twenty-first O site, O(21) is bonded in a trigonal planar geometry to one Li(6), one Fe(2), and one Si(6) atom. In the twenty-second O site, O(22) is bonded in a trigonal planar geometry to one Li(7), one Fe(4), and one Si(5) atom. In the twenty-third O site, O(23) is bonded in a trigonal planar geometry to one Li(1), one Fe(2), and one Si(1) atom. In the twenty-fourth O site, O(24) is bonded in a trigonal planar geometry to one Li(2), one Fe(4), and one Si(6) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li7Fe6(SiO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.625
_cell_length_b   8.672
_cell_length_c   8.773
_cell_angle_alpha   107.862
_cell_angle_beta   108.145
_cell_angle_gamma   106.843
_symmetry_Int_Tables_number   1
_cell_volume   536.999
_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  0.152  0.865  0.721  1.0
  Li  Li1  1  0.218  0.439  0.601  1.0
  Li  Li2  1  0.370  0.531  0.934  1.0
  Li  Li3  1  0.446  0.623  0.239  1.0
  Li  Li4  1  0.727  0.133  0.894  1.0
  Li  Li5  1  0.607  0.215  0.435  1.0
  Li  Li6  1  0.854  0.718  0.145  1.0
  Fe  Fe7  1  0.549  0.810  0.937  1.0
  Fe  Fe8  1  0.772  0.950  0.536  1.0
  Fe  Fe9  1  0.949  0.536  0.775  1.0
  Fe  Fe10  1  0.053  0.455  0.237  1.0
  Fe  Fe11  1  0.234  0.055  0.449  1.0
  Fe  Fe12  1  0.464  0.233  0.055  1.0
  Si  Si13  1  0.093  0.277  0.878  1.0
  Si  Si14  1  0.384  0.792  0.560  1.0
  Si  Si15  1  0.289  0.872  0.097  1.0
  Si  Si16  1  0.567  0.387  0.794  1.0
  Si  Si17  1  0.795  0.565  0.393  1.0
  Si  Si18  1  0.880  0.109  0.289  1.0
  O  O19  1  0.072  0.734  0.002  1.0
  O  O20  1  0.103  0.411  0.776  1.0
  O  O21  1  0.264  0.910  0.567  1.0
  O  O22  1  0.307  0.352  0.020  1.0
  O  O23  1  0.978  0.315  0.992  1.0
  O  O24  1  0.984  0.979  0.310  1.0
  O  O25  1  0.352  0.020  0.300  1.0
  O  O26  1  0.361  0.696  0.691  1.0
  O  O27  1  0.296  0.632  0.356  1.0
  O  O28  1  0.361  0.297  0.629  1.0
  O  O29  1  0.596  0.927  0.628  1.0
  O  O30  1  0.610  0.589  0.931  1.0
  O  O31  1  0.412  0.759  0.091  1.0
  O  O32  1  0.574  0.263  0.905  1.0
  O  O33  1  0.322  0.988  0.980  1.0
  O  O34  1  0.708  0.382  0.705  1.0
  O  O35  1  0.706  0.708  0.385  1.0
  O  O36  1  0.747  0.046  0.082  1.0
  O  O37  1  0.629  0.364  0.302  1.0
  O  O38  1  0.935  0.625  0.599  1.0
  O  O39  1  0.769  0.097  0.413  1.0
  O  O40  1  0.904  0.572  0.269  1.0
  O  O41  1  0.003  0.067  0.736  1.0
  O  O42  1  0.033  0.313  0.363  1.0
[/CIF]
.
The crystal structure described by Li7Fe6(SiO4)6 crystallizes in the triclinic P1 space group. There are seven inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one O(15), one O(20), one O(23), and one O(3) atom. In the second Li site, Li(2) is bonded to one O(10), one O(2), one O(24), and one O(8) atom to form LiO4 tetrahedra that share  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Fe(3)O4 tetrahedra,  a cornercorner with one Fe(4)O4 tetrahedra,  a cornercorner with one Fe(5)O4 tetrahedra,  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(2)O4 tetrahedra,  a cornercorner with one Si(4)O4 tetrahedra, and  a cornercorner with one Si(6)O4 tetrahedra. In the third Li site, Li(3) is bonded to one O(12), one O(13), one O(2), and one O(4) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(7)O4 tetrahedra,  a cornercorner with one Fe(3)O4 tetrahedra,  a cornercorner with one Fe(6)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra,  a cornercorner with one Si(4)O4 tetrahedra,  an edgeedge with one Li(4)O4 tetrahedra, and  an edgeedge with one Si(1)O4 tetrahedra. In the fourth Li site, Li(4) is bonded to one O(13), one O(17), one O(4), and one O(9) 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 Fe(6)O4 tetrahedra,  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(2)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra,  a cornercorner with one Si(5)O4 tetrahedra, and  an edgeedge with one Li(3)O4 tetrahedra. In the fifth Li site, Li(5) is bonded to one O(11), one O(14), one O(18), and one O(5) atom to form LiO4 tetrahedra that share  a cornercorner with one Fe(2)O4 tetrahedra,  a cornercorner with one Fe(4)O4 tetrahedra,  a cornercorner with one Fe(6)O4 tetrahedra,  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(2)O4 tetrahedra,  a cornercorner with one Si(4)O4 tetrahedra, and  a cornercorner with one Si(6)O4 tetrahedra. In the sixth Li site, Li(6) is bonded to one O(16), one O(19), one O(21), and one O(7) atom to form LiO4 tetrahedra that share  a cornercorner with one Fe(2)O4 tetrahedra,  a cornercorner with one Fe(3)O4 tetrahedra,  a cornercorner with one Fe(5)O4 tetrahedra,  a cornercorner with one Fe(6)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra,  a cornercorner with one Si(4)O4 tetrahedra,  a cornercorner with one Si(5)O4 tetrahedra, and  a cornercorner with one Si(6)O4 tetrahedra. In the seventh Li site, Li(7) is bonded to one O(1), one O(12), one O(22), and one O(6) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Fe(3)O4 tetrahedra,  a cornercorner with one Fe(4)O4 tetrahedra,  a cornercorner with one Fe(5)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra,  a cornercorner with one Si(4)O4 tetrahedra,  a cornercorner with one Si(5)O4 tetrahedra, and  a cornercorner with one Si(6)O4 tetrahedra. There are six inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 4-coordinate geometry to one O(12), one O(13), one O(18), and one O(8) atom. In the second Fe site, Fe(2) is bonded to one O(11), one O(17), one O(21), and one O(23) atom to form FeO4 tetrahedra that share  a cornercorner with one Li(4)O4 tetrahedra,  a cornercorner with one Li(5)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra,  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(2)O4 tetrahedra,  a cornercorner with one Si(5)O4 tetrahedra, and  a cornercorner with one Si(6)O4 tetrahedra. In the third Fe site, Fe(3) is bonded to one O(1), one O(16), one O(2), and one O(20) atom to form FeO4 tetrahedra that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra,  a cornercorner with one Li(7)O4 tetrahedra,  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra,  a cornercorner with one Si(4)O4 tetrahedra, and  a cornercorner with one Si(5)O4 tetrahedra. In the fourth Fe site, Fe(4) is bonded to one O(22), one O(24), one O(5), and one O(9) atom to form FeO4 tetrahedra that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra,  a cornercorner with one Li(5)O4 tetrahedra,  a cornercorner with one Li(7)O4 tetrahedra,  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(2)O4 tetrahedra,  a cornercorner with one Si(5)O4 tetrahedra, and  a cornercorner with one Si(6)O4 tetrahedra. In the fifth Fe site, Fe(5) is bonded to one O(10), one O(3), one O(6), and one O(7) atom to form FeO4 tetrahedra that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra,  a cornercorner with one Li(7)O4 tetrahedra,  a cornercorner with one Si(2)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra,  a cornercorner with one Si(4)O4 tetrahedra, and  a cornercorner with one Si(6)O4 tetrahedra. In the sixth Fe site, Fe(6) is bonded to one O(14), one O(15), one O(19), and one O(4) atom to form FeO4 tetrahedra that share  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra,  a cornercorner with one Li(5)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra,  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra,  a cornercorner with one Si(4)O4 tetrahedra, and  a cornercorner with one Si(5)O4 tetrahedra. There are six inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(2), one O(23), one O(4), and one O(5) atom to form SiO4 tetrahedra that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra,  a cornercorner with one Li(5)O4 tetrahedra,  a cornercorner with one Fe(2)O4 tetrahedra,  a cornercorner with one Fe(3)O4 tetrahedra,  a cornercorner with one Fe(4)O4 tetrahedra,  a cornercorner with one Fe(6)O4 tetrahedra, and  an edgeedge with one Li(3)O4 tetrahedra. In the second Si site, Si(2) is bonded to one O(11), one O(3), one O(8), and one O(9) atom to form SiO4 tetrahedra that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra,  a cornercorner with one Li(5)O4 tetrahedra,  a cornercorner with one Fe(2)O4 tetrahedra,  a cornercorner with one Fe(4)O4 tetrahedra, and  a cornercorner with one Fe(5)O4 tetrahedra. In the third Si site, Si(3) is bonded to one O(1), one O(13), one O(15), and one O(7) atom to form SiO4 tetrahedra that share  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra,  a cornercorner with one Li(7)O4 tetrahedra,  a cornercorner with one Fe(3)O4 tetrahedra,  a cornercorner with one Fe(5)O4 tetrahedra, and  a cornercorner with one Fe(6)O4 tetrahedra. In the fourth Si site, Si(4) is bonded to one O(10), one O(12), one O(14), and one O(16) atom to form SiO4 tetrahedra that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(5)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra,  a cornercorner with one Li(7)O4 tetrahedra,  a cornercorner with one Fe(3)O4 tetrahedra,  a cornercorner with one Fe(5)O4 tetrahedra, and  a cornercorner with one Fe(6)O4 tetrahedra. In the fifth Si site, Si(5) is bonded to one O(17), one O(19), one O(20), and one O(22) atom to form SiO4 tetrahedra that share  a cornercorner with one Li(4)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra,  a cornercorner with one Li(7)O4 tetrahedra,  a cornercorner with one Fe(2)O4 tetrahedra,  a cornercorner with one Fe(3)O4 tetrahedra,  a cornercorner with one Fe(4)O4 tetrahedra, and  a cornercorner with one Fe(6)O4 tetrahedra. In the sixth Si site, Si(6) is bonded to one O(18), one O(21), one O(24), and one O(6) atom to form SiO4 tetrahedra that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(5)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra,  a cornercorner with one Li(7)O4 tetrahedra,  a cornercorner with one Fe(2)O4 tetrahedra,  a cornercorner with one Fe(4)O4 tetrahedra, and  a cornercorner with one Fe(5)O4 tetrahedra. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(7), one Fe(3), and one Si(3) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Li(2), one Li(3), one Fe(3), and one Si(1) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Li(1), one Fe(5), and one Si(2) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Li(3), one Li(4), one Fe(6), and one Si(1) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Li(5), one Fe(4), and one Si(1) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Li(7), one Fe(5), and one Si(6) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Li(6), one Fe(5), and one Si(3) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Li(2), one Fe(1), and one Si(2) atom. In the ninth O site, O(9) is bonded in a trigonal planar geometry to one Li(4), one Fe(4), and one Si(2) atom. In the tenth O site, O(10) is bonded in a trigonal planar geometry to one Li(2), one Fe(5), and one Si(4) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Li(5), one Fe(2), and one Si(2) atom. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one Li(3), one Li(7), one Fe(1), and one Si(4) atom. In the thirteenth O site, O(13) is bonded in a 4-coordinate geometry to one Li(3), one Li(4), one Fe(1), and one Si(3) atom. In the fourteenth O site, O(14) is bonded in a trigonal planar geometry to one Li(5), one Fe(6), and one Si(4) atom. In the fifteenth O site, O(15) is bonded in a trigonal planar geometry to one Li(1), one Fe(6), and one Si(3) atom. In the sixteenth O site, O(16) is bonded in a trigonal planar geometry to one Li(6), one Fe(3), and one Si(4) atom. In the seventeenth O site, O(17) is bonded in a distorted trigonal planar geometry to one Li(4), one Fe(2), and one Si(5) atom. In the eighteenth O site, O(18) is bonded in a distorted trigonal planar geometry to one Li(5), one Fe(1), and one Si(6) atom. In the nineteenth O site, O(19) is bonded in a trigonal planar geometry to one Li(6), one Fe(6), and one Si(5) atom. In the twentieth O site, O(20) is bonded in a distorted trigonal planar geometry to one Li(1), one Fe(3), and one Si(5) atom. In the twenty-first O site, O(21) is bonded in a trigonal planar geometry to one Li(6), one Fe(2), and one Si(6) atom. In the twenty-second O site, O(22) is bonded in a trigonal planar geometry to one Li(7), one Fe(4), and one Si(5) atom. In the twenty-third O site, O(23) is bonded in a trigonal planar geometry to one Li(1), one Fe(2), and one Si(1) atom. In the twenty-fourth O site, O(24) is bonded in a trigonal planar geometry to one Li(2), one Fe(4), and one Si(6) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li7Fe6(SiO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.625
_cell_length_b   8.672
_cell_length_c   8.773
_cell_angle_alpha   107.862
_cell_angle_beta   108.145
_cell_angle_gamma   106.843
_symmetry_Int_Tables_number   1
_cell_volume   536.999
_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  0.152  0.865  0.721  1.0
  Li  Li1  1  0.218  0.439  0.601  1.0
  Li  Li2  1  0.370  0.531  0.934  1.0
  Li  Li3  1  0.446  0.623  0.239  1.0
  Li  Li4  1  0.727  0.133  0.894  1.0
  Li  Li5  1  0.607  0.215  0.435  1.0
  Li  Li6  1  0.854  0.718  0.145  1.0
  Fe  Fe7  1  0.549  0.810  0.937  1.0
  Fe  Fe8  1  0.772  0.950  0.536  1.0
  Fe  Fe9  1  0.949  0.536  0.775  1.0
  Fe  Fe10  1  0.053  0.455  0.237  1.0
  Fe  Fe11  1  0.234  0.055  0.449  1.0
  Fe  Fe12  1  0.464  0.233  0.055  1.0
  Si  Si13  1  0.093  0.277  0.878  1.0
  Si  Si14  1  0.384  0.792  0.560  1.0
  Si  Si15  1  0.289  0.872  0.097  1.0
  Si  Si16  1  0.567  0.387  0.794  1.0
  Si  Si17  1  0.795  0.565  0.393  1.0
  Si  Si18  1  0.880  0.109  0.289  1.0
  O  O19  1  0.072  0.734  0.002  1.0
  O  O20  1  0.103  0.411  0.776  1.0
  O  O21  1  0.264  0.910  0.567  1.0
  O  O22  1  0.307  0.352  0.020  1.0
  O  O23  1  0.978  0.315  0.992  1.0
  O  O24  1  0.984  0.979  0.310  1.0
  O  O25  1  0.352  0.020  0.300  1.0
  O  O26  1  0.361  0.696  0.691  1.0
  O  O27  1  0.296  0.632  0.356  1.0
  O  O28  1  0.361  0.297  0.629  1.0
  O  O29  1  0.596  0.927  0.628  1.0
  O  O30  1  0.610  0.589  0.931  1.0
  O  O31  1  0.412  0.759  0.091  1.0
  O  O32  1  0.574  0.263  0.905  1.0
  O  O33  1  0.322  0.988  0.980  1.0
  O  O34  1  0.708  0.382  0.705  1.0
  O  O35  1  0.706  0.708  0.385  1.0
  O  O36  1  0.747  0.046  0.082  1.0
  O  O37  1  0.629  0.364  0.302  1.0
  O  O38  1  0.935  0.625  0.599  1.0
  O  O39  1  0.769  0.097  0.413  1.0
  O  O40  1  0.904  0.572  0.269  1.0
  O  O41  1  0.003  0.067  0.736  1.0
  O  O42  1  0.033  0.313  0.363  1.0
[/CIF]
.