The crystal structure described by Li3FeCO3PO4 crystallizes in the monoclinic P2_1/m space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one O(2), one O(5), and two equivalent O(6) atoms. In the second Li site, Li(2) is bonded to one O(1), one O(3), one O(4), one O(5), and one O(6) atom to form LiO5 trigonal bipyramids that share corners with two equivalent Fe(1)O6 octahedra, corners with three equivalent P(1)O4 tetrahedra,  an edgeedge with one Fe(1)O6 octahedra, and edges with two equivalent Li(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 66-88°. Fe(1) is bonded to one O(1), one O(2), one O(3), one O(4), and two equivalent O(6) atoms to form distorted FeO6 octahedra that share corners with four equivalent P(1)O4 tetrahedra, corners with four equivalent Li(2)O5 trigonal bipyramids, and edges with two equivalent Li(2)O5 trigonal bipyramids. C(1) is bonded in a trigonal planar geometry to one O(2), one O(3), and one O(5) atom. P(1) is bonded to one O(1), one O(4), and two equivalent O(6) atoms to form PO4 tetrahedra that share corners with four equivalent Fe(1)O6 octahedra and corners with six equivalent Li(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 42-62°. There are six inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Li(2), one Fe(1), and one P(1) atom to form distorted OLi2FeP trigonal pyramids that share corners with two equivalent O(5)Li3C tetrahedra, corners with four equivalent O(4)Li2FeP tetrahedra,  a cornercorner with one O(3)Li2FeC trigonal pyramid, corners with two equivalent O(6)Li2FeP trigonal pyramids,  an edgeedge with one O(3)Li2FeC trigonal pyramid, and edges with two equivalent O(6)Li2FeP trigonal pyramids. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(1), one Fe(1), and one C(1) atom. In the third O site, O(3) is bonded to two equivalent Li(2), one Fe(1), and one C(1) atom to form distorted OLi2FeC trigonal pyramids that share corners with three equivalent O(4)Li2FeP tetrahedra, corners with three equivalent O(5)Li3C tetrahedra,  a cornercorner with one O(1)Li2FeP trigonal pyramid, corners with four equivalent O(6)Li2FeP trigonal pyramids, and  an edgeedge with one O(1)Li2FeP trigonal pyramid. In the fourth O site, O(4) is bonded to two equivalent Li(2), one Fe(1), and one P(1) atom to form distorted OLi2FeP tetrahedra that share corners with three equivalent O(3)Li2FeC trigonal pyramids, corners with four equivalent O(1)Li2FeP trigonal pyramids, corners with six equivalent O(6)Li2FeP trigonal pyramids, and  an edgeedge with one O(5)Li3C tetrahedra. In the fifth O site, O(5) is bonded to one Li(1), two equivalent Li(2), and one C(1) atom to form OLi3C tetrahedra that share corners with two equivalent O(1)Li2FeP trigonal pyramids, corners with three equivalent O(3)Li2FeC trigonal pyramids, corners with four equivalent O(6)Li2FeP trigonal pyramids, and  an edgeedge with one O(4)Li2FeP tetrahedra. In the sixth O site, O(6) is bonded to one Li(1), one Li(2), one Fe(1), and one P(1) atom to form distorted OLi2FeP trigonal pyramids that share corners with two equivalent O(5)Li3C tetrahedra, corners with three equivalent O(4)Li2FeP tetrahedra,  a cornercorner with one O(1)Li2FeP trigonal pyramid,  a cornercorner with one O(6)Li2FeP trigonal pyramid, corners with two equivalent O(3)Li2FeC trigonal pyramids,  an edgeedge with one O(1)Li2FeP trigonal pyramid, and  an edgeedge with one O(6)Li2FeP trigonal pyramid. is represented by the CIF file [CIF]
data_Li3FePCO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.039
_cell_length_b   6.450
_cell_length_c   8.567
_cell_angle_alpha   90.000
_cell_angle_beta   96.790
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   276.495
_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
  C  C0  1  0.331  0.250  0.036  1.0
  C  C1  1  0.669  0.750  0.964  1.0
  Fe  Fe2  1  0.211  0.250  0.330  1.0
  Fe  Fe3  1  0.789  0.750  0.670  1.0
  Li  Li4  1  0.203  0.750  0.104  1.0
  Li  Li5  1  0.797  0.250  0.896  1.0
  Li  Li6  1  0.271  0.016  0.726  1.0
  Li  Li7  1  0.729  0.984  0.274  1.0
  Li  Li8  1  0.271  0.484  0.726  1.0
  Li  Li9  1  0.729  0.516  0.274  1.0
  O  O10  1  0.829  0.250  0.426  1.0
  O  O11  1  0.171  0.750  0.574  1.0
  O  O12  1  0.084  0.250  0.063  1.0
  O  O13  1  0.916  0.750  0.937  1.0
  O  O14  1  0.485  0.750  0.841  1.0
  O  O15  1  0.515  0.250  0.159  1.0
  O  O16  1  0.582  0.750  0.431  1.0
  O  O17  1  0.418  0.250  0.569  1.0
  O  O18  1  0.399  0.250  0.895  1.0
  O  O19  1  0.601  0.750  0.105  1.0
  O  O20  1  0.839  0.437  0.693  1.0
  O  O21  1  0.839  0.063  0.693  1.0
  O  O22  1  0.161  0.563  0.307  1.0
  O  O23  1  0.161  0.937  0.307  1.0
  P  P24  1  0.270  0.750  0.411  1.0
  P  P25  1  0.730  0.250  0.589  1.0
[/CIF]
.
The crystal structure described by Li3FeCO3PO4 crystallizes in the monoclinic P2_1/m space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one O(2), one O(5), and two equivalent O(6) atoms. In the second Li site, Li(2) is bonded to one O(1), one O(3), one O(4), one O(5), and one O(6) atom to form LiO5 trigonal bipyramids that share corners with two equivalent Fe(1)O6 octahedra, corners with three equivalent P(1)O4 tetrahedra,  an edgeedge with one Fe(1)O6 octahedra, and edges with two equivalent Li(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 66-88°. Fe(1) is bonded to one O(1), one O(2), one O(3), one O(4), and two equivalent O(6) atoms to form distorted FeO6 octahedra that share corners with four equivalent P(1)O4 tetrahedra, corners with four equivalent Li(2)O5 trigonal bipyramids, and edges with two equivalent Li(2)O5 trigonal bipyramids. C(1) is bonded in a trigonal planar geometry to one O(2), one O(3), and one O(5) atom. P(1) is bonded to one O(1), one O(4), and two equivalent O(6) atoms to form PO4 tetrahedra that share corners with four equivalent Fe(1)O6 octahedra and corners with six equivalent Li(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 42-62°. There are six inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Li(2), one Fe(1), and one P(1) atom to form distorted OLi2FeP trigonal pyramids that share corners with two equivalent O(5)Li3C tetrahedra, corners with four equivalent O(4)Li2FeP tetrahedra,  a cornercorner with one O(3)Li2FeC trigonal pyramid, corners with two equivalent O(6)Li2FeP trigonal pyramids,  an edgeedge with one O(3)Li2FeC trigonal pyramid, and edges with two equivalent O(6)Li2FeP trigonal pyramids. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(1), one Fe(1), and one C(1) atom. In the third O site, O(3) is bonded to two equivalent Li(2), one Fe(1), and one C(1) atom to form distorted OLi2FeC trigonal pyramids that share corners with three equivalent O(4)Li2FeP tetrahedra, corners with three equivalent O(5)Li3C tetrahedra,  a cornercorner with one O(1)Li2FeP trigonal pyramid, corners with four equivalent O(6)Li2FeP trigonal pyramids, and  an edgeedge with one O(1)Li2FeP trigonal pyramid. In the fourth O site, O(4) is bonded to two equivalent Li(2), one Fe(1), and one P(1) atom to form distorted OLi2FeP tetrahedra that share corners with three equivalent O(3)Li2FeC trigonal pyramids, corners with four equivalent O(1)Li2FeP trigonal pyramids, corners with six equivalent O(6)Li2FeP trigonal pyramids, and  an edgeedge with one O(5)Li3C tetrahedra. In the fifth O site, O(5) is bonded to one Li(1), two equivalent Li(2), and one C(1) atom to form OLi3C tetrahedra that share corners with two equivalent O(1)Li2FeP trigonal pyramids, corners with three equivalent O(3)Li2FeC trigonal pyramids, corners with four equivalent O(6)Li2FeP trigonal pyramids, and  an edgeedge with one O(4)Li2FeP tetrahedra. In the sixth O site, O(6) is bonded to one Li(1), one Li(2), one Fe(1), and one P(1) atom to form distorted OLi2FeP trigonal pyramids that share corners with two equivalent O(5)Li3C tetrahedra, corners with three equivalent O(4)Li2FeP tetrahedra,  a cornercorner with one O(1)Li2FeP trigonal pyramid,  a cornercorner with one O(6)Li2FeP trigonal pyramid, corners with two equivalent O(3)Li2FeC trigonal pyramids,  an edgeedge with one O(1)Li2FeP trigonal pyramid, and  an edgeedge with one O(6)Li2FeP trigonal pyramid. is represented by the CIF file [CIF]
data_Li3FePCO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.039
_cell_length_b   6.450
_cell_length_c   8.567
_cell_angle_alpha   90.000
_cell_angle_beta   96.790
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   276.495
_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
  C  C0  1  0.331  0.250  0.036  1.0
  C  C1  1  0.669  0.750  0.964  1.0
  Fe  Fe2  1  0.211  0.250  0.330  1.0
  Fe  Fe3  1  0.789  0.750  0.670  1.0
  Li  Li4  1  0.203  0.750  0.104  1.0
  Li  Li5  1  0.797  0.250  0.896  1.0
  Li  Li6  1  0.271  0.016  0.726  1.0
  Li  Li7  1  0.729  0.984  0.274  1.0
  Li  Li8  1  0.271  0.484  0.726  1.0
  Li  Li9  1  0.729  0.516  0.274  1.0
  O  O10  1  0.829  0.250  0.426  1.0
  O  O11  1  0.171  0.750  0.574  1.0
  O  O12  1  0.084  0.250  0.063  1.0
  O  O13  1  0.916  0.750  0.937  1.0
  O  O14  1  0.485  0.750  0.841  1.0
  O  O15  1  0.515  0.250  0.159  1.0
  O  O16  1  0.582  0.750  0.431  1.0
  O  O17  1  0.418  0.250  0.569  1.0
  O  O18  1  0.399  0.250  0.895  1.0
  O  O19  1  0.601  0.750  0.105  1.0
  O  O20  1  0.839  0.437  0.693  1.0
  O  O21  1  0.839  0.063  0.693  1.0
  O  O22  1  0.161  0.563  0.307  1.0
  O  O23  1  0.161  0.937  0.307  1.0
  P  P24  1  0.270  0.750  0.411  1.0
  P  P25  1  0.730  0.250  0.589  1.0
[/CIF]
.