The material structure described by Li2Fe(CO3)2 crystallizes in the orthorhombic Fdd2 space group. Li(1) is bonded to one O(2), two equivalent O(1), and two equivalent O(3) atoms to form distorted LiO5 trigonal bipyramids that share corners with three equivalent Fe(1)O6 pentagonal pyramids, corners with four equivalent Li(1)O5 trigonal bipyramids, and  an edgeedge with one Fe(1)O6 pentagonal pyramid. Fe(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted FeO6 pentagonal pyramids that share corners with six equivalent Li(1)O5 trigonal bipyramids and edges with two equivalent Li(1)O5 trigonal bipyramids. C(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. There are three 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 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(1), one Fe(1), and one C(1) atom to form distorted corner-sharing OLi2FeC trigonal pyramids. is represented by the CIF file [CIF]
data_Li2Fe(CO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.894
_cell_length_b   8.691
_cell_length_c   6.079
_cell_angle_alpha   82.063
_cell_angle_beta   60.453
_cell_angle_gamma   37.484
_symmetry_Int_Tables_number   1
_cell_volume   243.016
_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
  Li  Li0  1  0.793  0.566  0.123  1.0
  Li  Li1  1  0.127  0.731  0.457  1.0
  Li  Li2  1  0.684  0.457  0.731  1.0
  Li  Li3  1  0.519  0.123  0.566  1.0
  Fe  Fe4  1  0.328  0.172  0.172  1.0
  Fe  Fe5  1  0.078  0.922  0.922  1.0
  C  C6  1  0.312  0.982  0.621  1.0
  C  C7  1  0.629  0.165  0.938  1.0
  C  C8  1  0.268  0.938  0.165  1.0
  C  C9  1  0.085  0.621  0.982  1.0
  O  O10  1  0.460  0.728  0.537  1.0
  O  O11  1  0.055  0.190  0.865  1.0
  O  O12  1  0.427  0.015  0.454  1.0
  O  O13  1  0.796  0.146  0.823  1.0
  O  O14  1  0.385  0.360  0.195  1.0
  O  O15  1  0.713  0.975  0.790  1.0
  O  O16  1  0.522  0.790  0.975  1.0
  O  O17  1  0.060  0.195  0.360  1.0
  O  O18  1  0.235  0.823  0.146  1.0
  O  O19  1  0.104  0.454  0.015  1.0
  O  O20  1  0.890  0.865  0.190  1.0
  O  O21  1  0.275  0.537  0.728  1.0
[/CIF]
.
The material structure described by Li2Fe(CO3)2 crystallizes in the orthorhombic Fdd2 space group. Li(1) is bonded to one O(2), two equivalent O(1), and two equivalent O(3) atoms to form distorted LiO5 trigonal bipyramids that share corners with three equivalent Fe(1)O6 pentagonal pyramids, corners with four equivalent Li(1)O5 trigonal bipyramids, and  an edgeedge with one Fe(1)O6 pentagonal pyramid. Fe(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted FeO6 pentagonal pyramids that share corners with six equivalent Li(1)O5 trigonal bipyramids and edges with two equivalent Li(1)O5 trigonal bipyramids. C(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. There are three 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 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(1), one Fe(1), and one C(1) atom to form distorted corner-sharing OLi2FeC trigonal pyramids. is represented by the CIF file [CIF]
data_Li2Fe(CO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.894
_cell_length_b   8.691
_cell_length_c   6.079
_cell_angle_alpha   82.063
_cell_angle_beta   60.453
_cell_angle_gamma   37.484
_symmetry_Int_Tables_number   1
_cell_volume   243.016
_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
  Li  Li0  1  0.793  0.566  0.123  1.0
  Li  Li1  1  0.127  0.731  0.457  1.0
  Li  Li2  1  0.684  0.457  0.731  1.0
  Li  Li3  1  0.519  0.123  0.566  1.0
  Fe  Fe4  1  0.328  0.172  0.172  1.0
  Fe  Fe5  1  0.078  0.922  0.922  1.0
  C  C6  1  0.312  0.982  0.621  1.0
  C  C7  1  0.629  0.165  0.938  1.0
  C  C8  1  0.268  0.938  0.165  1.0
  C  C9  1  0.085  0.621  0.982  1.0
  O  O10  1  0.460  0.728  0.537  1.0
  O  O11  1  0.055  0.190  0.865  1.0
  O  O12  1  0.427  0.015  0.454  1.0
  O  O13  1  0.796  0.146  0.823  1.0
  O  O14  1  0.385  0.360  0.195  1.0
  O  O15  1  0.713  0.975  0.790  1.0
  O  O16  1  0.522  0.790  0.975  1.0
  O  O17  1  0.060  0.195  0.360  1.0
  O  O18  1  0.235  0.823  0.146  1.0
  O  O19  1  0.104  0.454  0.015  1.0
  O  O20  1  0.890  0.865  0.190  1.0
  O  O21  1  0.275  0.537  0.728  1.0
[/CIF]
.