The material described by Li2FeCPO7 crystallizes in the triclinic P1 space group. There are eight inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one O(2), one O(28), one O(4), and one O(5) atom. In the second Li site, Li(2) is bonded to one O(2), one O(3), one O(4), one O(6), and one O(7) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and  an edgeedge with one Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 63-78°. In the third Li site, Li(3) is bonded to one O(11), one O(12), one O(13), one O(8), and one O(9) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and  an edgeedge with one Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 62-77°. In the fourth Li site, Li(4) is bonded in a 4-coordinate geometry to one O(10), one O(11), one O(13), and one O(15) atom. In the fifth Li site, Li(5) is bonded in a 4-coordinate geometry to one O(14), one O(16), one O(18), and one O(19) atom. In the sixth Li site, Li(6) is bonded to one O(16), one O(17), one O(19), one O(20), and one O(21) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and  an edgeedge with one Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 66-76°. In the seventh Li site, Li(7) is bonded to one O(22), one O(23), one O(25), one O(26), and one O(27) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra, and  an edgeedge with one Fe(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 66-76°. In the eighth Li site, Li(8) is bonded in a 4-coordinate geometry to one O(1), one O(24), one O(25), and one O(27) atom. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(3), one O(4), one O(5), one O(6), and one O(8) atom to form distorted FeO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra,  a cornercorner with one Li(2)O5 trigonal bipyramid,  a cornercorner with one Li(3)O5 trigonal bipyramid, and  an edgeedge with one Li(2)O5 trigonal bipyramid. In the second Fe site, Fe(2) is bonded to one O(10), one O(11), one O(12), one O(14), one O(7), and one O(9) atom to form FeO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra,  a cornercorner with one Li(2)O5 trigonal bipyramid,  a cornercorner with one Li(3)O5 trigonal bipyramid, and  an edgeedge with one Li(3)O5 trigonal bipyramid. In the third Fe site, Fe(3) is bonded to one O(15), one O(17), one O(18), one O(19), one O(20), and one O(22) atom to form FeO6 octahedra that share corners with two equivalent P(3)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra,  a cornercorner with one Li(6)O5 trigonal bipyramid,  a cornercorner with one Li(7)O5 trigonal bipyramid, and  an edgeedge with one Li(6)O5 trigonal bipyramid. In the fourth Fe site, Fe(4) is bonded to one O(21), one O(23), one O(24), one O(25), one O(26), and one O(28) atom to form FeO6 octahedra that share corners with two equivalent P(3)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra,  a cornercorner with one Li(6)O5 trigonal bipyramid,  a cornercorner with one Li(7)O5 trigonal bipyramid, and  an edgeedge with one Li(7)O5 trigonal bipyramid. There are four inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one O(1), one O(27), and one O(3) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(12), one O(14), and one O(16) atom. In the third C site, C(3) is bonded in a trigonal planar geometry to one O(13), one O(15), and one O(17) atom. In the fourth C site, C(4) is bonded in a trigonal planar geometry to one O(2), one O(26), and one O(28) atom. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(4), one O(5), one O(7), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra,  a cornercorner with one Li(3)O5 trigonal bipyramid, and corners with two equivalent Li(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 35-50°. In the second P site, P(2) is bonded to one O(10), one O(11), one O(6), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra,  a cornercorner with one Li(2)O5 trigonal bipyramid, and corners with two equivalent Li(3)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 35-51°. In the third P site, P(3) is bonded to one O(18), one O(19), one O(21), and one O(23) atom to form PO4 tetrahedra that share corners with two equivalent Fe(3)O6 octahedra, corners with two equivalent Fe(4)O6 octahedra,  a cornercorner with one Li(7)O5 trigonal bipyramid, and corners with two equivalent Li(6)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 39-49°. In the fourth P site, P(4) is bonded to one O(20), one O(22), one O(24), and one O(25) atom to form PO4 tetrahedra that share corners with two equivalent Fe(3)O6 octahedra, corners with two equivalent Fe(4)O6 octahedra,  a cornercorner with one Li(6)O5 trigonal bipyramid, and corners with two equivalent Li(7)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 39-49°. There are twenty-eight inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(8), one Fe(1), and one C(1) atom. In the second O site, O(2) is bonded in a trigonal non-coplanar geometry to one Li(1), one Li(2), and one C(4) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(2), one Fe(1), and one C(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one Fe(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Li(1), one Fe(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a distorted T-shaped geometry to one Li(2), one Fe(1), and one P(2) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Li(2), one Fe(2), and one P(1) atom. In the eighth O site, O(8) is bonded in a trigonal planar geometry to one Li(3), one Fe(1), and one P(2) atom. In the ninth O site, O(9) is bonded in a distorted T-shaped geometry to one Li(3), one Fe(2), and one P(1) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Li(4), one Fe(2), and one P(2) atom. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Li(3), one Li(4), one Fe(2), and one P(2) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Li(3), one Fe(2), and one C(2) atom. In the thirteenth O site, O(13) is bonded in a trigonal non-coplanar geometry to one Li(3), one Li(4), and one C(3) atom. In the fourteenth O site, O(14) is bonded in a 3-coordinate geometry to one Li(5), one Fe(2), and one C(2) atom. In the fifteenth O site, O(15) is bonded in a 3-coordinate geometry to one Li(4), one Fe(3), and one C(3) atom. In the sixteenth O site, O(16) is bonded in a trigonal non-coplanar geometry to one Li(5), one Li(6), and one C(2) atom. In the seventeenth O site, O(17) is bonded in a 3-coordinate geometry to one Li(6), one Fe(3), and one C(3) atom. In the eighteenth O site, O(18) is bonded in a 3-coordinate geometry to one Li(5), one Fe(3), and one P(3) atom. In the nineteenth O site, O(19) is bonded in a distorted trigonal pyramidal geometry to one Li(5), one Li(6), one Fe(3), and one P(3) atom. In the twentieth O site, O(20) is bonded in a distorted trigonal planar geometry to one Li(6), one Fe(3), and one P(4) atom. In the twenty-first O site, O(21) is bonded in a distorted trigonal planar geometry to one Li(6), one Fe(4), and one P(3) atom. In the twenty-second O site, O(22) is bonded in a distorted trigonal planar geometry to one Li(7), one Fe(3), and one P(4) atom. In the twenty-third O site, O(23) is bonded in a distorted trigonal planar geometry to one Li(7), one Fe(4), and one P(3) atom. In the twenty-fourth O site, O(24) is bonded in a distorted trigonal planar geometry to one Li(8), one Fe(4), and one P(4) atom. In the twenty-fifth O site, O(25) is bonded in a 4-coordinate geometry to one Li(7), one Li(8), one Fe(4), and one P(4) atom. In the twenty-sixth O site, O(26) is bonded in a 3-coordinate geometry to one Li(7), one Fe(4), and one C(4) atom. In the twenty-seventh O site, O(27) is bonded in a trigonal non-coplanar geometry to one Li(7), one Li(8), and one C(1) atom. In the twenty-eighth O site, O(28) is bonded in a 3-coordinate geometry to one Li(1), one Fe(4), and one C(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2FePCO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.091
_cell_length_b   6.511
_cell_length_c   16.630
_cell_angle_alpha   90.542
_cell_angle_beta   94.861
_cell_angle_gamma   90.232
_symmetry_Int_Tables_number   1
_cell_volume   549.154
_cell_formula_units_Z   4
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  0.761  0.736  0.951  1.0
  Li  Li1  1  0.248  0.968  0.862  1.0
  Li  Li2  1  0.750  0.033  0.637  1.0
  Li  Li3  1  0.238  0.250  0.548  1.0
  Li  Li4  1  0.762  0.755  0.452  1.0
  Li  Li5  1  0.248  0.534  0.362  1.0
  Li  Li6  1  0.753  0.031  0.138  1.0
  Li  Li7  1  0.241  0.268  0.047  1.0
  Fe  Fe8  1  0.798  0.262  0.834  1.0
  Fe  Fe9  1  0.201  0.743  0.665  1.0
  Fe  Fe10  1  0.799  0.239  0.335  1.0
  Fe  Fe11  1  0.200  0.734  0.165  1.0
  P  P12  1  0.722  0.760  0.790  1.0
  P  P13  1  0.278  0.243  0.710  1.0
  P  P14  1  0.722  0.748  0.290  1.0
  P  P15  1  0.277  0.246  0.210  1.0
  C  C16  1  0.703  0.232  0.980  1.0
  C  C17  1  0.298  0.748  0.520  1.0
  C  C18  1  0.703  0.252  0.480  1.0
  C  C19  1  0.297  0.770  0.020  1.0
  O  O20  1  0.948  0.251  0.962  1.0
  O  O21  1  0.366  0.782  0.949  1.0
  O  O22  1  0.526  0.236  0.918  1.0
  O  O23  1  0.824  0.936  0.849  1.0
  O  O24  1  0.784  0.564  0.839  1.0
  O  O25  1  0.145  0.233  0.790  1.0
  O  O26  1  0.419  0.783  0.770  1.0
  O  O27  1  0.581  0.219  0.730  1.0
  O  O28  1  0.855  0.770  0.710  1.0
  O  O29  1  0.218  0.440  0.661  1.0
  O  O30  1  0.174  0.068  0.651  1.0
  O  O31  1  0.473  0.774  0.582  1.0
  O  O32  1  0.633  0.224  0.551  1.0
  O  O33  1  0.052  0.744  0.539  1.0
  O  O34  1  0.949  0.251  0.462  1.0
  O  O35  1  0.367  0.724  0.449  1.0
  O  O36  1  0.528  0.280  0.418  1.0
  O  O37  1  0.781  0.936  0.348  1.0
  O  O38  1  0.828  0.564  0.342  1.0
  O  O39  1  0.146  0.273  0.289  1.0
  O  O40  1  0.419  0.721  0.270  1.0
  O  O41  1  0.581  0.223  0.230  1.0
  O  O42  1  0.854  0.771  0.211  1.0
  O  O43  1  0.218  0.431  0.153  1.0
  O  O44  1  0.172  0.059  0.158  1.0
  O  O45  1  0.473  0.769  0.083  1.0
  O  O46  1  0.635  0.215  0.051  1.0
  O  O47  1  0.051  0.753  0.038  1.0
[/CIF]
.
The material described by Li2FeCPO7 crystallizes in the triclinic P1 space group. There are eight inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one O(2), one O(28), one O(4), and one O(5) atom. In the second Li site, Li(2) is bonded to one O(2), one O(3), one O(4), one O(6), and one O(7) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and  an edgeedge with one Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 63-78°. In the third Li site, Li(3) is bonded to one O(11), one O(12), one O(13), one O(8), and one O(9) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and  an edgeedge with one Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 62-77°. In the fourth Li site, Li(4) is bonded in a 4-coordinate geometry to one O(10), one O(11), one O(13), and one O(15) atom. In the fifth Li site, Li(5) is bonded in a 4-coordinate geometry to one O(14), one O(16), one O(18), and one O(19) atom. In the sixth Li site, Li(6) is bonded to one O(16), one O(17), one O(19), one O(20), and one O(21) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and  an edgeedge with one Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 66-76°. In the seventh Li site, Li(7) is bonded to one O(22), one O(23), one O(25), one O(26), and one O(27) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra, and  an edgeedge with one Fe(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 66-76°. In the eighth Li site, Li(8) is bonded in a 4-coordinate geometry to one O(1), one O(24), one O(25), and one O(27) atom. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(3), one O(4), one O(5), one O(6), and one O(8) atom to form distorted FeO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra,  a cornercorner with one Li(2)O5 trigonal bipyramid,  a cornercorner with one Li(3)O5 trigonal bipyramid, and  an edgeedge with one Li(2)O5 trigonal bipyramid. In the second Fe site, Fe(2) is bonded to one O(10), one O(11), one O(12), one O(14), one O(7), and one O(9) atom to form FeO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra,  a cornercorner with one Li(2)O5 trigonal bipyramid,  a cornercorner with one Li(3)O5 trigonal bipyramid, and  an edgeedge with one Li(3)O5 trigonal bipyramid. In the third Fe site, Fe(3) is bonded to one O(15), one O(17), one O(18), one O(19), one O(20), and one O(22) atom to form FeO6 octahedra that share corners with two equivalent P(3)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra,  a cornercorner with one Li(6)O5 trigonal bipyramid,  a cornercorner with one Li(7)O5 trigonal bipyramid, and  an edgeedge with one Li(6)O5 trigonal bipyramid. In the fourth Fe site, Fe(4) is bonded to one O(21), one O(23), one O(24), one O(25), one O(26), and one O(28) atom to form FeO6 octahedra that share corners with two equivalent P(3)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra,  a cornercorner with one Li(6)O5 trigonal bipyramid,  a cornercorner with one Li(7)O5 trigonal bipyramid, and  an edgeedge with one Li(7)O5 trigonal bipyramid. There are four inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one O(1), one O(27), and one O(3) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(12), one O(14), and one O(16) atom. In the third C site, C(3) is bonded in a trigonal planar geometry to one O(13), one O(15), and one O(17) atom. In the fourth C site, C(4) is bonded in a trigonal planar geometry to one O(2), one O(26), and one O(28) atom. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(4), one O(5), one O(7), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra,  a cornercorner with one Li(3)O5 trigonal bipyramid, and corners with two equivalent Li(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 35-50°. In the second P site, P(2) is bonded to one O(10), one O(11), one O(6), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra,  a cornercorner with one Li(2)O5 trigonal bipyramid, and corners with two equivalent Li(3)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 35-51°. In the third P site, P(3) is bonded to one O(18), one O(19), one O(21), and one O(23) atom to form PO4 tetrahedra that share corners with two equivalent Fe(3)O6 octahedra, corners with two equivalent Fe(4)O6 octahedra,  a cornercorner with one Li(7)O5 trigonal bipyramid, and corners with two equivalent Li(6)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 39-49°. In the fourth P site, P(4) is bonded to one O(20), one O(22), one O(24), and one O(25) atom to form PO4 tetrahedra that share corners with two equivalent Fe(3)O6 octahedra, corners with two equivalent Fe(4)O6 octahedra,  a cornercorner with one Li(6)O5 trigonal bipyramid, and corners with two equivalent Li(7)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 39-49°. There are twenty-eight inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(8), one Fe(1), and one C(1) atom. In the second O site, O(2) is bonded in a trigonal non-coplanar geometry to one Li(1), one Li(2), and one C(4) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(2), one Fe(1), and one C(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one Fe(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Li(1), one Fe(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a distorted T-shaped geometry to one Li(2), one Fe(1), and one P(2) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Li(2), one Fe(2), and one P(1) atom. In the eighth O site, O(8) is bonded in a trigonal planar geometry to one Li(3), one Fe(1), and one P(2) atom. In the ninth O site, O(9) is bonded in a distorted T-shaped geometry to one Li(3), one Fe(2), and one P(1) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Li(4), one Fe(2), and one P(2) atom. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Li(3), one Li(4), one Fe(2), and one P(2) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Li(3), one Fe(2), and one C(2) atom. In the thirteenth O site, O(13) is bonded in a trigonal non-coplanar geometry to one Li(3), one Li(4), and one C(3) atom. In the fourteenth O site, O(14) is bonded in a 3-coordinate geometry to one Li(5), one Fe(2), and one C(2) atom. In the fifteenth O site, O(15) is bonded in a 3-coordinate geometry to one Li(4), one Fe(3), and one C(3) atom. In the sixteenth O site, O(16) is bonded in a trigonal non-coplanar geometry to one Li(5), one Li(6), and one C(2) atom. In the seventeenth O site, O(17) is bonded in a 3-coordinate geometry to one Li(6), one Fe(3), and one C(3) atom. In the eighteenth O site, O(18) is bonded in a 3-coordinate geometry to one Li(5), one Fe(3), and one P(3) atom. In the nineteenth O site, O(19) is bonded in a distorted trigonal pyramidal geometry to one Li(5), one Li(6), one Fe(3), and one P(3) atom. In the twentieth O site, O(20) is bonded in a distorted trigonal planar geometry to one Li(6), one Fe(3), and one P(4) atom. In the twenty-first O site, O(21) is bonded in a distorted trigonal planar geometry to one Li(6), one Fe(4), and one P(3) atom. In the twenty-second O site, O(22) is bonded in a distorted trigonal planar geometry to one Li(7), one Fe(3), and one P(4) atom. In the twenty-third O site, O(23) is bonded in a distorted trigonal planar geometry to one Li(7), one Fe(4), and one P(3) atom. In the twenty-fourth O site, O(24) is bonded in a distorted trigonal planar geometry to one Li(8), one Fe(4), and one P(4) atom. In the twenty-fifth O site, O(25) is bonded in a 4-coordinate geometry to one Li(7), one Li(8), one Fe(4), and one P(4) atom. In the twenty-sixth O site, O(26) is bonded in a 3-coordinate geometry to one Li(7), one Fe(4), and one C(4) atom. In the twenty-seventh O site, O(27) is bonded in a trigonal non-coplanar geometry to one Li(7), one Li(8), and one C(1) atom. In the twenty-eighth O site, O(28) is bonded in a 3-coordinate geometry to one Li(1), one Fe(4), and one C(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2FePCO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.091
_cell_length_b   6.511
_cell_length_c   16.630
_cell_angle_alpha   90.542
_cell_angle_beta   94.861
_cell_angle_gamma   90.232
_symmetry_Int_Tables_number   1
_cell_volume   549.154
_cell_formula_units_Z   4
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  0.761  0.736  0.951  1.0
  Li  Li1  1  0.248  0.968  0.862  1.0
  Li  Li2  1  0.750  0.033  0.637  1.0
  Li  Li3  1  0.238  0.250  0.548  1.0
  Li  Li4  1  0.762  0.755  0.452  1.0
  Li  Li5  1  0.248  0.534  0.362  1.0
  Li  Li6  1  0.753  0.031  0.138  1.0
  Li  Li7  1  0.241  0.268  0.047  1.0
  Fe  Fe8  1  0.798  0.262  0.834  1.0
  Fe  Fe9  1  0.201  0.743  0.665  1.0
  Fe  Fe10  1  0.799  0.239  0.335  1.0
  Fe  Fe11  1  0.200  0.734  0.165  1.0
  P  P12  1  0.722  0.760  0.790  1.0
  P  P13  1  0.278  0.243  0.710  1.0
  P  P14  1  0.722  0.748  0.290  1.0
  P  P15  1  0.277  0.246  0.210  1.0
  C  C16  1  0.703  0.232  0.980  1.0
  C  C17  1  0.298  0.748  0.520  1.0
  C  C18  1  0.703  0.252  0.480  1.0
  C  C19  1  0.297  0.770  0.020  1.0
  O  O20  1  0.948  0.251  0.962  1.0
  O  O21  1  0.366  0.782  0.949  1.0
  O  O22  1  0.526  0.236  0.918  1.0
  O  O23  1  0.824  0.936  0.849  1.0
  O  O24  1  0.784  0.564  0.839  1.0
  O  O25  1  0.145  0.233  0.790  1.0
  O  O26  1  0.419  0.783  0.770  1.0
  O  O27  1  0.581  0.219  0.730  1.0
  O  O28  1  0.855  0.770  0.710  1.0
  O  O29  1  0.218  0.440  0.661  1.0
  O  O30  1  0.174  0.068  0.651  1.0
  O  O31  1  0.473  0.774  0.582  1.0
  O  O32  1  0.633  0.224  0.551  1.0
  O  O33  1  0.052  0.744  0.539  1.0
  O  O34  1  0.949  0.251  0.462  1.0
  O  O35  1  0.367  0.724  0.449  1.0
  O  O36  1  0.528  0.280  0.418  1.0
  O  O37  1  0.781  0.936  0.348  1.0
  O  O38  1  0.828  0.564  0.342  1.0
  O  O39  1  0.146  0.273  0.289  1.0
  O  O40  1  0.419  0.721  0.270  1.0
  O  O41  1  0.581  0.223  0.230  1.0
  O  O42  1  0.854  0.771  0.211  1.0
  O  O43  1  0.218  0.431  0.153  1.0
  O  O44  1  0.172  0.059  0.158  1.0
  O  O45  1  0.473  0.769  0.083  1.0
  O  O46  1  0.635  0.215  0.051  1.0
  O  O47  1  0.051  0.753  0.038  1.0
[/CIF]
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