The compound described by LiFeBO3 crystallizes in the triclinic P1 space group. There are nine inequivalent Li sites. In the first Li site, Li(1) is bonded in a 5-coordinate geometry to one O(15), two equivalent O(1), and two equivalent O(3) atoms. In the second Li site, Li(2) is bonded to one O(5), two equivalent O(2), and two equivalent O(6) atoms to form distorted LiO5 trigonal bipyramids that share corners with two equivalent Fe(8)O4 tetrahedra and edges with two equivalent Li(2)O5 trigonal bipyramids. In the third Li site, Li(3) is bonded to one O(4), two equivalent O(7), and two equivalent O(9) atoms to form distorted LiO5 trigonal bipyramids that share corners with two equivalent Fe(6)O4 tetrahedra and edges with two equivalent Li(3)O5 trigonal bipyramids. In the fourth Li site, Li(4) is bonded in a 5-coordinate geometry to one O(27), two equivalent O(10), and two equivalent O(8) atoms. In the fifth Li site, Li(5) is bonded to one O(16), two equivalent O(11), and two equivalent O(14) atoms to form distorted LiO5 trigonal bipyramids that share corners with two equivalent Fe(5)O4 tetrahedra and edges with two equivalent Li(5)O5 trigonal bipyramids. In the sixth Li site, Li(6) is bonded in a 5-coordinate geometry to one O(18), two equivalent O(13), and two equivalent O(21) atoms. In the seventh Li site, Li(7) is bonded in a 5-coordinate geometry to one O(20), two equivalent O(12), and two equivalent O(19) atoms. In the eighth Li site, Li(8) is bonded in a 5-coordinate geometry to one O(17), two equivalent O(23), and two equivalent O(24) atoms. In the ninth Li site, Li(9) is bonded in a 5-coordinate geometry to one O(26), two equivalent O(22), and two equivalent O(25) atoms. There are nine inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a rectangular see-saw-like geometry to one O(3), one O(7), and two equivalent O(4) atoms. In the second Fe site, Fe(2) is bonded in a rectangular see-saw-like geometry to one O(10), one O(6), and two equivalent O(5) atoms. In the third Fe site, Fe(3) is bonded to one O(13), one O(8), and two equivalent O(15) atoms to form corner-sharing FeO4 tetrahedra. In the fourth Fe site, Fe(4) is bonded in a rectangular see-saw-like geometry to one O(11), one O(12), and two equivalent O(16) atoms. In the fifth Fe site, Fe(5) is bonded to one O(14), one O(21), and two equivalent O(17) atoms to form FeO4 tetrahedra that share corners with two equivalent Fe(5)O4 tetrahedra and corners with two equivalent Li(5)O5 trigonal bipyramids. In the sixth Fe site, Fe(6) is bonded to one O(22), one O(9), and two equivalent O(18) atoms to form FeO4 tetrahedra that share corners with two equivalent Fe(6)O4 tetrahedra and corners with two equivalent Li(3)O5 trigonal bipyramids. In the seventh Fe site, Fe(7) is bonded to one O(1), one O(24), and two equivalent O(20) atoms to form corner-sharing FeO4 tetrahedra. In the eighth Fe site, Fe(8) is bonded to one O(2), one O(23), and two equivalent O(26) atoms to form FeO4 tetrahedra that share corners with two equivalent Fe(8)O4 tetrahedra and corners with two equivalent Li(2)O5 trigonal bipyramids. In the ninth Fe site, Fe(9) is bonded to one O(19), one O(25), and two equivalent O(27) atoms to form corner-sharing FeO4 tetrahedra. There are nine inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(2), one O(24), and one O(3) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(11), one O(6), and one O(7) atom. In the third B site, B(3) is bonded in a trigonal planar geometry to one O(10), one O(13), and one O(14) atom. In the fourth B site, B(4) is bonded in a trigonal planar geometry to one O(12), one O(25), and one O(9) atom. In the fifth B site, B(5) is bonded in a trigonal planar geometry to one O(15), one O(18), and one O(4) atom. In the sixth B site, B(6) is bonded in a trigonal planar geometry to one O(16), one O(17), and one O(20) atom. In the seventh B site, B(7) is bonded in a trigonal planar geometry to one O(21), one O(22), and one O(23) atom. In the eighth B site, B(8) is bonded in a trigonal planar geometry to one O(1), one O(19), and one O(8) atom. In the ninth B site, B(9) is bonded in a trigonal planar geometry to one O(26), one O(27), and one O(5) atom. There are twenty-seven inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li(1), one Fe(7), and one B(8) atom. In the second O site, O(2) is bonded to two equivalent Li(2), one Fe(8), and one B(1) atom to form distorted OLi2FeB tetrahedra that share  a cornercorner with one O(23)Li2FeB tetrahedra, corners with two equivalent O(2)Li2FeB tetrahedra, and corners with two equivalent O(26)LiFe2B tetrahedra. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Li(1), one Fe(1), and one B(1) atom. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Li(3), two equivalent Fe(1), and one B(5) atom. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), two equivalent Fe(2), and one B(9) atom. In the sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li(2), one Fe(2), and one B(2) atom. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to two equivalent Li(3), one Fe(1), and one B(2) atom. In the eighth O site, O(8) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li(4), one Fe(3), and one B(8) atom. In the ninth O site, O(9) is bonded to two equivalent Li(3), one Fe(6), and one B(4) atom to form distorted OLi2FeB tetrahedra that share corners with two equivalent O(9)Li2FeB tetrahedra and corners with two equivalent O(18)LiFe2B tetrahedra. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to two equivalent Li(4), one Fe(2), and one B(3) atom. In the eleventh O site, O(11) is bonded in a rectangular see-saw-like geometry to two equivalent Li(5), one Fe(4), and one B(2) atom. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to two equivalent Li(7), one Fe(4), and one B(4) atom. In the thirteenth O site, O(13) is bonded in a 4-coordinate geometry to two equivalent Li(6), one Fe(3), and one B(3) atom. In the fourteenth O site, O(14) is bonded to two equivalent Li(5), one Fe(5), and one B(3) atom to form distorted OLi2FeB tetrahedra that share corners with two equivalent O(14)Li2FeB tetrahedra and corners with two equivalent O(17)LiFe2B tetrahedra. In the fifteenth O site, O(15) is bonded to one Li(1), two equivalent Fe(3), and one B(5) atom to form distorted corner-sharing OLiFe2B tetrahedra. In the sixteenth O site, O(16) is bonded in a distorted rectangular see-saw-like geometry to one Li(5), two equivalent Fe(4), and one B(6) atom. In the seventeenth O site, O(17) is bonded to one Li(8), two equivalent Fe(5), and one B(6) atom to form distorted OLiFe2B tetrahedra that share  a cornercorner with one O(20)LiFe2B tetrahedra, corners with two equivalent O(14)Li2FeB tetrahedra, corners with two equivalent O(23)Li2FeB tetrahedra, and corners with two equivalent O(17)LiFe2B tetrahedra. In the eighteenth O site, O(18) is bonded to one Li(6), two equivalent Fe(6), and one B(5) atom to form distorted OLiFe2B tetrahedra that share  a cornercorner with one O(15)LiFe2B tetrahedra, corners with two equivalent O(9)Li2FeB tetrahedra, and corners with two equivalent O(18)LiFe2B tetrahedra. In the nineteenth O site, O(19) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li(7), one Fe(9), and one B(8) atom. In the twentieth O site, O(20) is bonded to one Li(7), two equivalent Fe(7), and one B(6) atom to form distorted corner-sharing OLiFe2B tetrahedra. In the twenty-first O site, O(21) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li(6), one Fe(5), and one B(7) atom. In the twenty-second O site, O(22) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li(9), one Fe(6), and one B(7) atom. In the twenty-third O site, O(23) is bonded to two equivalent Li(8), one Fe(8), and one B(7) atom to form distorted OLi2FeB tetrahedra that share  a cornercorner with one O(2)Li2FeB tetrahedra, corners with two equivalent O(23)Li2FeB tetrahedra, corners with two equivalent O(17)LiFe2B tetrahedra, and corners with two equivalent O(26)LiFe2B tetrahedra. In the twenty-fourth O site, O(24) is bonded in a 4-coordinate geometry to two equivalent Li(8), one Fe(7), and one B(1) atom. In the twenty-fifth O site, O(25) is bonded in a 4-coordinate geometry to two equivalent Li(9), one Fe(9), and one B(4) atom. In the twenty-sixth O site, O(26) is bonded to one Li(9), two equivalent Fe(8), and one B(9) atom to form distorted OLiFe2B tetrahedra that share  a cornercorner with one O(27)LiFe2B tetrahedra, corners with two equivalent O(2)Li2FeB tetrahedra, corners with two equivalent O(23)Li2FeB tetrahedra, and corners with two equivalent O(26)LiFe2B tetrahedra. In the twenty-seventh O site, O(27) is bonded to one Li(4), two equivalent Fe(9), and one B(9) atom to form distorted corner-sharing OLiFe2B tetrahedra. is represented by the CIF card [CIF]
data_LiFeBO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.161
_cell_length_b   14.464
_cell_length_c   14.471
_cell_angle_alpha   60.078
_cell_angle_beta   89.210
_cell_angle_gamma   89.284
_symmetry_Int_Tables_number   1
_cell_volume   573.399
_cell_formula_units_Z   9
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  0.508  0.883  0.900  1.0
  Li  Li1  1  0.486  0.563  0.885  1.0
  Li  Li2  1  0.561  0.884  0.553  1.0
  Li  Li3  1  0.506  0.216  0.884  1.0
  Li  Li4  1  0.450  0.554  0.563  1.0
  Li  Li5  1  0.503  0.251  0.547  1.0
  Li  Li6  1  0.494  0.900  0.217  1.0
  Li  Li7  1  0.489  0.546  0.203  1.0
  Li  Li8  1  0.501  0.203  0.252  1.0
  Fe  Fe9  1  0.064  0.805  0.753  1.0
  Fe  Fe10  1  0.008  0.442  0.806  1.0
  Fe  Fe11  1  0.011  0.113  0.774  1.0
  Fe  Fe12  1  0.941  0.753  0.443  1.0
  Fe  Fe13  1  0.975  0.464  0.430  1.0
  Fe  Fe14  1  0.023  0.106  0.465  1.0
  Fe  Fe15  1  0.986  0.774  0.114  1.0
  Fe  Fe16  1  0.987  0.429  0.107  1.0
  Fe  Fe17  1  0.010  0.113  0.113  1.0
  B  B18  1  0.996  0.663  0.991  1.0
  B  B19  1  0.001  0.667  0.667  1.0
  B  B20  1  0.987  0.346  0.664  1.0
  B  B21  1  0.016  0.991  0.346  1.0
  B  B22  1  0.531  0.014  0.668  1.0
  B  B23  1  0.467  0.668  0.319  1.0
  B  B24  1  0.998  0.333  0.334  1.0
  B  B25  1  0.007  1.000  0.000  1.0
  B  B26  1  0.504  0.318  0.015  1.0
  O  O27  1  0.010  0.915  0.980  1.0
  O  O28  1  0.970  0.573  0.979  1.0
  O  O29  1  0.077  0.763  0.904  1.0
  O  O30  1  0.564  0.913  0.679  1.0
  O  O31  1  0.504  0.408  0.914  1.0
  O  O32  1  0.007  0.593  0.774  1.0
  O  O33  1  0.072  0.773  0.633  1.0
  O  O34  1  0.025  0.104  0.916  1.0
  O  O35  1  0.055  0.978  0.448  1.0
  O  O36  1  0.057  0.333  0.764  1.0
  O  O37  1  0.922  0.635  0.593  1.0
  O  O38  1  0.919  0.904  0.334  1.0
  O  O39  1  0.946  0.257  0.651  1.0
  O  O40  1  0.960  0.448  0.574  1.0
  O  O41  1  0.515  0.024  0.759  1.0
  O  O42  1  0.447  0.679  0.409  1.0
  O  O43  1  0.474  0.566  0.332  1.0
  O  O44  1  0.514  0.103  0.566  1.0
  O  O45  1  0.986  0.980  0.105  1.0
  O  O46  1  0.480  0.758  0.218  1.0
  O  O47  1  0.009  0.326  0.433  1.0
  O  O48  1  0.984  0.241  0.327  1.0
  O  O49  1  0.001  0.432  0.242  1.0
  O  O50  1  0.944  0.651  0.092  1.0
  O  O51  1  0.070  0.091  0.257  1.0
  O  O52  1  0.496  0.330  0.104  1.0
  O  O53  1  0.511  0.217  0.025  1.0
[/CIF]
.
The compound described by LiFeBO3 crystallizes in the triclinic P1 space group. There are nine inequivalent Li sites. In the first Li site, Li(1) is bonded in a 5-coordinate geometry to one O(15), two equivalent O(1), and two equivalent O(3) atoms. In the second Li site, Li(2) is bonded to one O(5), two equivalent O(2), and two equivalent O(6) atoms to form distorted LiO5 trigonal bipyramids that share corners with two equivalent Fe(8)O4 tetrahedra and edges with two equivalent Li(2)O5 trigonal bipyramids. In the third Li site, Li(3) is bonded to one O(4), two equivalent O(7), and two equivalent O(9) atoms to form distorted LiO5 trigonal bipyramids that share corners with two equivalent Fe(6)O4 tetrahedra and edges with two equivalent Li(3)O5 trigonal bipyramids. In the fourth Li site, Li(4) is bonded in a 5-coordinate geometry to one O(27), two equivalent O(10), and two equivalent O(8) atoms. In the fifth Li site, Li(5) is bonded to one O(16), two equivalent O(11), and two equivalent O(14) atoms to form distorted LiO5 trigonal bipyramids that share corners with two equivalent Fe(5)O4 tetrahedra and edges with two equivalent Li(5)O5 trigonal bipyramids. In the sixth Li site, Li(6) is bonded in a 5-coordinate geometry to one O(18), two equivalent O(13), and two equivalent O(21) atoms. In the seventh Li site, Li(7) is bonded in a 5-coordinate geometry to one O(20), two equivalent O(12), and two equivalent O(19) atoms. In the eighth Li site, Li(8) is bonded in a 5-coordinate geometry to one O(17), two equivalent O(23), and two equivalent O(24) atoms. In the ninth Li site, Li(9) is bonded in a 5-coordinate geometry to one O(26), two equivalent O(22), and two equivalent O(25) atoms. There are nine inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a rectangular see-saw-like geometry to one O(3), one O(7), and two equivalent O(4) atoms. In the second Fe site, Fe(2) is bonded in a rectangular see-saw-like geometry to one O(10), one O(6), and two equivalent O(5) atoms. In the third Fe site, Fe(3) is bonded to one O(13), one O(8), and two equivalent O(15) atoms to form corner-sharing FeO4 tetrahedra. In the fourth Fe site, Fe(4) is bonded in a rectangular see-saw-like geometry to one O(11), one O(12), and two equivalent O(16) atoms. In the fifth Fe site, Fe(5) is bonded to one O(14), one O(21), and two equivalent O(17) atoms to form FeO4 tetrahedra that share corners with two equivalent Fe(5)O4 tetrahedra and corners with two equivalent Li(5)O5 trigonal bipyramids. In the sixth Fe site, Fe(6) is bonded to one O(22), one O(9), and two equivalent O(18) atoms to form FeO4 tetrahedra that share corners with two equivalent Fe(6)O4 tetrahedra and corners with two equivalent Li(3)O5 trigonal bipyramids. In the seventh Fe site, Fe(7) is bonded to one O(1), one O(24), and two equivalent O(20) atoms to form corner-sharing FeO4 tetrahedra. In the eighth Fe site, Fe(8) is bonded to one O(2), one O(23), and two equivalent O(26) atoms to form FeO4 tetrahedra that share corners with two equivalent Fe(8)O4 tetrahedra and corners with two equivalent Li(2)O5 trigonal bipyramids. In the ninth Fe site, Fe(9) is bonded to one O(19), one O(25), and two equivalent O(27) atoms to form corner-sharing FeO4 tetrahedra. There are nine inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(2), one O(24), and one O(3) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(11), one O(6), and one O(7) atom. In the third B site, B(3) is bonded in a trigonal planar geometry to one O(10), one O(13), and one O(14) atom. In the fourth B site, B(4) is bonded in a trigonal planar geometry to one O(12), one O(25), and one O(9) atom. In the fifth B site, B(5) is bonded in a trigonal planar geometry to one O(15), one O(18), and one O(4) atom. In the sixth B site, B(6) is bonded in a trigonal planar geometry to one O(16), one O(17), and one O(20) atom. In the seventh B site, B(7) is bonded in a trigonal planar geometry to one O(21), one O(22), and one O(23) atom. In the eighth B site, B(8) is bonded in a trigonal planar geometry to one O(1), one O(19), and one O(8) atom. In the ninth B site, B(9) is bonded in a trigonal planar geometry to one O(26), one O(27), and one O(5) atom. There are twenty-seven inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li(1), one Fe(7), and one B(8) atom. In the second O site, O(2) is bonded to two equivalent Li(2), one Fe(8), and one B(1) atom to form distorted OLi2FeB tetrahedra that share  a cornercorner with one O(23)Li2FeB tetrahedra, corners with two equivalent O(2)Li2FeB tetrahedra, and corners with two equivalent O(26)LiFe2B tetrahedra. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Li(1), one Fe(1), and one B(1) atom. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Li(3), two equivalent Fe(1), and one B(5) atom. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), two equivalent Fe(2), and one B(9) atom. In the sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li(2), one Fe(2), and one B(2) atom. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to two equivalent Li(3), one Fe(1), and one B(2) atom. In the eighth O site, O(8) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li(4), one Fe(3), and one B(8) atom. In the ninth O site, O(9) is bonded to two equivalent Li(3), one Fe(6), and one B(4) atom to form distorted OLi2FeB tetrahedra that share corners with two equivalent O(9)Li2FeB tetrahedra and corners with two equivalent O(18)LiFe2B tetrahedra. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to two equivalent Li(4), one Fe(2), and one B(3) atom. In the eleventh O site, O(11) is bonded in a rectangular see-saw-like geometry to two equivalent Li(5), one Fe(4), and one B(2) atom. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to two equivalent Li(7), one Fe(4), and one B(4) atom. In the thirteenth O site, O(13) is bonded in a 4-coordinate geometry to two equivalent Li(6), one Fe(3), and one B(3) atom. In the fourteenth O site, O(14) is bonded to two equivalent Li(5), one Fe(5), and one B(3) atom to form distorted OLi2FeB tetrahedra that share corners with two equivalent O(14)Li2FeB tetrahedra and corners with two equivalent O(17)LiFe2B tetrahedra. In the fifteenth O site, O(15) is bonded to one Li(1), two equivalent Fe(3), and one B(5) atom to form distorted corner-sharing OLiFe2B tetrahedra. In the sixteenth O site, O(16) is bonded in a distorted rectangular see-saw-like geometry to one Li(5), two equivalent Fe(4), and one B(6) atom. In the seventeenth O site, O(17) is bonded to one Li(8), two equivalent Fe(5), and one B(6) atom to form distorted OLiFe2B tetrahedra that share  a cornercorner with one O(20)LiFe2B tetrahedra, corners with two equivalent O(14)Li2FeB tetrahedra, corners with two equivalent O(23)Li2FeB tetrahedra, and corners with two equivalent O(17)LiFe2B tetrahedra. In the eighteenth O site, O(18) is bonded to one Li(6), two equivalent Fe(6), and one B(5) atom to form distorted OLiFe2B tetrahedra that share  a cornercorner with one O(15)LiFe2B tetrahedra, corners with two equivalent O(9)Li2FeB tetrahedra, and corners with two equivalent O(18)LiFe2B tetrahedra. In the nineteenth O site, O(19) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li(7), one Fe(9), and one B(8) atom. In the twentieth O site, O(20) is bonded to one Li(7), two equivalent Fe(7), and one B(6) atom to form distorted corner-sharing OLiFe2B tetrahedra. In the twenty-first O site, O(21) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li(6), one Fe(5), and one B(7) atom. In the twenty-second O site, O(22) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li(9), one Fe(6), and one B(7) atom. In the twenty-third O site, O(23) is bonded to two equivalent Li(8), one Fe(8), and one B(7) atom to form distorted OLi2FeB tetrahedra that share  a cornercorner with one O(2)Li2FeB tetrahedra, corners with two equivalent O(23)Li2FeB tetrahedra, corners with two equivalent O(17)LiFe2B tetrahedra, and corners with two equivalent O(26)LiFe2B tetrahedra. In the twenty-fourth O site, O(24) is bonded in a 4-coordinate geometry to two equivalent Li(8), one Fe(7), and one B(1) atom. In the twenty-fifth O site, O(25) is bonded in a 4-coordinate geometry to two equivalent Li(9), one Fe(9), and one B(4) atom. In the twenty-sixth O site, O(26) is bonded to one Li(9), two equivalent Fe(8), and one B(9) atom to form distorted OLiFe2B tetrahedra that share  a cornercorner with one O(27)LiFe2B tetrahedra, corners with two equivalent O(2)Li2FeB tetrahedra, corners with two equivalent O(23)Li2FeB tetrahedra, and corners with two equivalent O(26)LiFe2B tetrahedra. In the twenty-seventh O site, O(27) is bonded to one Li(4), two equivalent Fe(9), and one B(9) atom to form distorted corner-sharing OLiFe2B tetrahedra. is represented by the CIF card [CIF]
data_LiFeBO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.161
_cell_length_b   14.464
_cell_length_c   14.471
_cell_angle_alpha   60.078
_cell_angle_beta   89.210
_cell_angle_gamma   89.284
_symmetry_Int_Tables_number   1
_cell_volume   573.399
_cell_formula_units_Z   9
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  0.508  0.883  0.900  1.0
  Li  Li1  1  0.486  0.563  0.885  1.0
  Li  Li2  1  0.561  0.884  0.553  1.0
  Li  Li3  1  0.506  0.216  0.884  1.0
  Li  Li4  1  0.450  0.554  0.563  1.0
  Li  Li5  1  0.503  0.251  0.547  1.0
  Li  Li6  1  0.494  0.900  0.217  1.0
  Li  Li7  1  0.489  0.546  0.203  1.0
  Li  Li8  1  0.501  0.203  0.252  1.0
  Fe  Fe9  1  0.064  0.805  0.753  1.0
  Fe  Fe10  1  0.008  0.442  0.806  1.0
  Fe  Fe11  1  0.011  0.113  0.774  1.0
  Fe  Fe12  1  0.941  0.753  0.443  1.0
  Fe  Fe13  1  0.975  0.464  0.430  1.0
  Fe  Fe14  1  0.023  0.106  0.465  1.0
  Fe  Fe15  1  0.986  0.774  0.114  1.0
  Fe  Fe16  1  0.987  0.429  0.107  1.0
  Fe  Fe17  1  0.010  0.113  0.113  1.0
  B  B18  1  0.996  0.663  0.991  1.0
  B  B19  1  0.001  0.667  0.667  1.0
  B  B20  1  0.987  0.346  0.664  1.0
  B  B21  1  0.016  0.991  0.346  1.0
  B  B22  1  0.531  0.014  0.668  1.0
  B  B23  1  0.467  0.668  0.319  1.0
  B  B24  1  0.998  0.333  0.334  1.0
  B  B25  1  0.007  1.000  0.000  1.0
  B  B26  1  0.504  0.318  0.015  1.0
  O  O27  1  0.010  0.915  0.980  1.0
  O  O28  1  0.970  0.573  0.979  1.0
  O  O29  1  0.077  0.763  0.904  1.0
  O  O30  1  0.564  0.913  0.679  1.0
  O  O31  1  0.504  0.408  0.914  1.0
  O  O32  1  0.007  0.593  0.774  1.0
  O  O33  1  0.072  0.773  0.633  1.0
  O  O34  1  0.025  0.104  0.916  1.0
  O  O35  1  0.055  0.978  0.448  1.0
  O  O36  1  0.057  0.333  0.764  1.0
  O  O37  1  0.922  0.635  0.593  1.0
  O  O38  1  0.919  0.904  0.334  1.0
  O  O39  1  0.946  0.257  0.651  1.0
  O  O40  1  0.960  0.448  0.574  1.0
  O  O41  1  0.515  0.024  0.759  1.0
  O  O42  1  0.447  0.679  0.409  1.0
  O  O43  1  0.474  0.566  0.332  1.0
  O  O44  1  0.514  0.103  0.566  1.0
  O  O45  1  0.986  0.980  0.105  1.0
  O  O46  1  0.480  0.758  0.218  1.0
  O  O47  1  0.009  0.326  0.433  1.0
  O  O48  1  0.984  0.241  0.327  1.0
  O  O49  1  0.001  0.432  0.242  1.0
  O  O50  1  0.944  0.651  0.092  1.0
  O  O51  1  0.070  0.091  0.257  1.0
  O  O52  1  0.496  0.330  0.104  1.0
  O  O53  1  0.511  0.217  0.025  1.0
[/CIF]
.