The structure described by Li2Fe(CO3)2 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form distorted LiO4 trigonal pyramids that share corners with two equivalent Fe(1)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra, and  an edgeedge with one Li(1)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 44-82°. Fe(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted FeO6 octahedra that share corners with four equivalent Li(1)O4 trigonal pyramids and edges with two equivalent Li(1)O4 trigonal pyramids. 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 to two equivalent Li(1), one Fe(1), and one C(1) atom to form a mixture of distorted corner and edge-sharing OLi2FeC trigonal pyramids. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(1), one Fe(1), and one C(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(1), one Fe(1), and one C(1) atom. is represented by the CIF file [CIF]
data_Li2Fe(CO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.246
_cell_length_b   7.359
_cell_length_c   7.660
_cell_angle_alpha   89.999
_cell_angle_beta   90.003
_cell_angle_gamma   108.046
_symmetry_Int_Tables_number   1
_cell_volume   281.164
_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  0.608  0.193  0.108  1.0
  Li  Li1  1  0.892  0.307  0.608  1.0
  Li  Li2  1  0.108  0.693  0.392  1.0
  Li  Li3  1  0.392  0.807  0.892  1.0
  Fe  Fe4  1  1.000  1.000  1.000  1.0
  Fe  Fe5  1  0.500  0.500  0.500  1.0
  C  C6  1  0.328  0.175  0.753  1.0
  C  C7  1  0.172  0.325  0.253  1.0
  C  C8  1  0.828  0.675  0.747  1.0
  C  C9  1  0.672  0.825  0.247  1.0
  O  O10  1  0.409  0.099  0.888  1.0
  O  O11  1  0.004  0.247  0.131  1.0
  O  O12  1  0.496  0.253  0.631  1.0
  O  O13  1  0.091  0.401  0.388  1.0
  O  O14  1  0.078  0.165  0.747  1.0
  O  O15  1  0.422  0.335  0.247  1.0
  O  O16  1  0.578  0.665  0.753  1.0
  O  O17  1  0.922  0.835  0.253  1.0
  O  O18  1  0.909  0.599  0.612  1.0
  O  O19  1  0.504  0.747  0.370  1.0
  O  O20  1  0.996  0.753  0.870  1.0
  O  O21  1  0.591  0.901  0.112  1.0
[/CIF]
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The structure described by Li2Fe(CO3)2 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form distorted LiO4 trigonal pyramids that share corners with two equivalent Fe(1)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra, and  an edgeedge with one Li(1)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 44-82°. Fe(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted FeO6 octahedra that share corners with four equivalent Li(1)O4 trigonal pyramids and edges with two equivalent Li(1)O4 trigonal pyramids. 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 to two equivalent Li(1), one Fe(1), and one C(1) atom to form a mixture of distorted corner and edge-sharing OLi2FeC trigonal pyramids. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(1), one Fe(1), and one C(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(1), one Fe(1), and one C(1) atom. is represented by the CIF file [CIF]
data_Li2Fe(CO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.246
_cell_length_b   7.359
_cell_length_c   7.660
_cell_angle_alpha   89.999
_cell_angle_beta   90.003
_cell_angle_gamma   108.046
_symmetry_Int_Tables_number   1
_cell_volume   281.164
_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  0.608  0.193  0.108  1.0
  Li  Li1  1  0.892  0.307  0.608  1.0
  Li  Li2  1  0.108  0.693  0.392  1.0
  Li  Li3  1  0.392  0.807  0.892  1.0
  Fe  Fe4  1  1.000  1.000  1.000  1.0
  Fe  Fe5  1  0.500  0.500  0.500  1.0
  C  C6  1  0.328  0.175  0.753  1.0
  C  C7  1  0.172  0.325  0.253  1.0
  C  C8  1  0.828  0.675  0.747  1.0
  C  C9  1  0.672  0.825  0.247  1.0
  O  O10  1  0.409  0.099  0.888  1.0
  O  O11  1  0.004  0.247  0.131  1.0
  O  O12  1  0.496  0.253  0.631  1.0
  O  O13  1  0.091  0.401  0.388  1.0
  O  O14  1  0.078  0.165  0.747  1.0
  O  O15  1  0.422  0.335  0.247  1.0
  O  O16  1  0.578  0.665  0.753  1.0
  O  O17  1  0.922  0.835  0.253  1.0
  O  O18  1  0.909  0.599  0.612  1.0
  O  O19  1  0.504  0.747  0.370  1.0
  O  O20  1  0.996  0.753  0.870  1.0
  O  O21  1  0.591  0.901  0.112  1.0
[/CIF]
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