The material structure described by Li3FeCO3PO4 crystallizes in the triclinic P-1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(2), one O(3), one O(5), and two equivalent O(1) atoms to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one Fe(1)O5 square pyramid,  a cornercorner with one P(1)O4 tetrahedra,  an edgeedge with one Fe(1)O5 square pyramid,  an edgeedge with one Li(3)O4 tetrahedra, and  an edgeedge with one Li(1)O5 trigonal bipyramid. In the second Li site, Li(2) is bonded in a rectangular see-saw-like geometry to one O(2), one O(3), one O(4), and one O(6) atom. In the third Li site, Li(3) is bonded to one O(3), one O(5), one O(6), and one O(7) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Fe(1)O5 square pyramid, corners with three equivalent P(1)O4 tetrahedra,  an edgeedge with one Fe(1)O5 square pyramid, and  an edgeedge with one Li(1)O5 trigonal bipyramid. Fe(1) is bonded to one O(1), one O(4), one O(5), one O(6), and one O(7) atom to form FeO5 square pyramids that share  a cornercorner with one Li(3)O4 tetrahedra, corners with four equivalent P(1)O4 tetrahedra,  a cornercorner with one Li(1)O5 trigonal bipyramid,  an edgeedge with one Li(3)O4 tetrahedra, and  an edgeedge with one Li(1)O5 trigonal bipyramid. C(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. P(1) is bonded to one O(4), one O(5), one O(6), and one O(7) atom to form PO4 tetrahedra that share corners with four equivalent Fe(1)O5 square pyramids, corners with three equivalent Li(3)O4 tetrahedra, and  a cornercorner with one Li(1)O5 trigonal bipyramid. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a distorted see-saw-like geometry to two equivalent Li(1), one Fe(1), and one C(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(1), one Li(2), and one C(1) atom. In the third O site, O(3) is bonded to one Li(1), one Li(2), one Li(3), and one C(1) atom to form distorted edge-sharing OLi3C trigonal pyramids. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Li(2), one Fe(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(3), one Fe(1), and one P(1) atom. In the sixth O site, O(6) is bonded to one Li(2), one Li(3), one Fe(1), and one P(1) atom to form edge-sharing OLi2FeP tetrahedra. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Li(3), one Fe(1), and one P(1) atom. is represented by the CIF card [CIF]
data_Li3FePCO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.927
_cell_length_b   6.640
_cell_length_c   8.850
_cell_angle_alpha   101.961
_cell_angle_beta   92.384
_cell_angle_gamma   90.594
_symmetry_Int_Tables_number   1
_cell_volume   282.966
_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  0.580  0.387  0.010  1.0
  C  C1  1  0.229  0.864  0.064  1.0
  Fe  Fe2  1  0.117  0.858  0.394  1.0
  Fe  Fe3  1  0.692  0.393  0.681  1.0
  Li  Li4  1  0.057  0.471  0.112  1.0
  Li  Li5  1  0.752  0.781  0.963  1.0
  Li  Li6  1  0.672  0.128  0.263  1.0
  Li  Li7  1  0.137  0.123  0.812  1.0
  Li  Li8  1  0.690  0.541  0.345  1.0
  Li  Li9  1  0.119  0.710  0.730  1.0
  O  O10  1  0.062  0.786  0.150  1.0
  O  O11  1  0.747  0.466  0.924  1.0
  O  O12  1  0.477  0.908  0.108  1.0
  O  O13  1  0.332  0.344  0.967  1.0
  O  O14  1  0.682  0.362  0.143  1.0
  O  O15  1  0.127  0.890  0.932  1.0
  O  O16  1  0.061  0.156  0.369  1.0
  O  O17  1  0.747  0.095  0.706  1.0
  O  O18  1  0.115  0.531  0.364  1.0
  O  O19  1  0.694  0.720  0.711  1.0
  O  O20  1  0.518  0.341  0.452  1.0
  O  O21  1  0.291  0.911  0.623  1.0
  O  O22  1  0.685  0.831  0.449  1.0
  O  O23  1  0.123  0.421  0.626  1.0
  P  P24  1  0.201  0.361  0.453  1.0
  P  P25  1  0.607  0.891  0.621  1.0
[/CIF]
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The material structure described by Li3FeCO3PO4 crystallizes in the triclinic P-1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(2), one O(3), one O(5), and two equivalent O(1) atoms to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one Fe(1)O5 square pyramid,  a cornercorner with one P(1)O4 tetrahedra,  an edgeedge with one Fe(1)O5 square pyramid,  an edgeedge with one Li(3)O4 tetrahedra, and  an edgeedge with one Li(1)O5 trigonal bipyramid. In the second Li site, Li(2) is bonded in a rectangular see-saw-like geometry to one O(2), one O(3), one O(4), and one O(6) atom. In the third Li site, Li(3) is bonded to one O(3), one O(5), one O(6), and one O(7) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Fe(1)O5 square pyramid, corners with three equivalent P(1)O4 tetrahedra,  an edgeedge with one Fe(1)O5 square pyramid, and  an edgeedge with one Li(1)O5 trigonal bipyramid. Fe(1) is bonded to one O(1), one O(4), one O(5), one O(6), and one O(7) atom to form FeO5 square pyramids that share  a cornercorner with one Li(3)O4 tetrahedra, corners with four equivalent P(1)O4 tetrahedra,  a cornercorner with one Li(1)O5 trigonal bipyramid,  an edgeedge with one Li(3)O4 tetrahedra, and  an edgeedge with one Li(1)O5 trigonal bipyramid. C(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. P(1) is bonded to one O(4), one O(5), one O(6), and one O(7) atom to form PO4 tetrahedra that share corners with four equivalent Fe(1)O5 square pyramids, corners with three equivalent Li(3)O4 tetrahedra, and  a cornercorner with one Li(1)O5 trigonal bipyramid. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a distorted see-saw-like geometry to two equivalent Li(1), one Fe(1), and one C(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(1), one Li(2), and one C(1) atom. In the third O site, O(3) is bonded to one Li(1), one Li(2), one Li(3), and one C(1) atom to form distorted edge-sharing OLi3C trigonal pyramids. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Li(2), one Fe(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(3), one Fe(1), and one P(1) atom. In the sixth O site, O(6) is bonded to one Li(2), one Li(3), one Fe(1), and one P(1) atom to form edge-sharing OLi2FeP tetrahedra. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Li(3), one Fe(1), and one P(1) atom. is represented by the CIF card [CIF]
data_Li3FePCO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.927
_cell_length_b   6.640
_cell_length_c   8.850
_cell_angle_alpha   101.961
_cell_angle_beta   92.384
_cell_angle_gamma   90.594
_symmetry_Int_Tables_number   1
_cell_volume   282.966
_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  0.580  0.387  0.010  1.0
  C  C1  1  0.229  0.864  0.064  1.0
  Fe  Fe2  1  0.117  0.858  0.394  1.0
  Fe  Fe3  1  0.692  0.393  0.681  1.0
  Li  Li4  1  0.057  0.471  0.112  1.0
  Li  Li5  1  0.752  0.781  0.963  1.0
  Li  Li6  1  0.672  0.128  0.263  1.0
  Li  Li7  1  0.137  0.123  0.812  1.0
  Li  Li8  1  0.690  0.541  0.345  1.0
  Li  Li9  1  0.119  0.710  0.730  1.0
  O  O10  1  0.062  0.786  0.150  1.0
  O  O11  1  0.747  0.466  0.924  1.0
  O  O12  1  0.477  0.908  0.108  1.0
  O  O13  1  0.332  0.344  0.967  1.0
  O  O14  1  0.682  0.362  0.143  1.0
  O  O15  1  0.127  0.890  0.932  1.0
  O  O16  1  0.061  0.156  0.369  1.0
  O  O17  1  0.747  0.095  0.706  1.0
  O  O18  1  0.115  0.531  0.364  1.0
  O  O19  1  0.694  0.720  0.711  1.0
  O  O20  1  0.518  0.341  0.452  1.0
  O  O21  1  0.291  0.911  0.623  1.0
  O  O22  1  0.685  0.831  0.449  1.0
  O  O23  1  0.123  0.421  0.626  1.0
  P  P24  1  0.201  0.361  0.453  1.0
  P  P25  1  0.607  0.891  0.621  1.0
[/CIF]
.