The material described by Li2Fe(CO3)2 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a distorted see-saw-like geometry to one O(1), one O(2), one O(3), and one O(5) atom. In the second Li site, Li(2) is bonded in a 3-coordinate geometry to one O(4), one O(5), and one O(6) atom. Fe(1) is bonded in a distorted trigonal bipyramidal geometry to one O(1), one O(2), one O(3), one O(4), and one O(6) atom. There are two inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(4), one O(5), and one O(6) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one 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 Fe(1), and one C(1) atom. In the third O site, O(3) is bonded in a trigonal non-coplanar geometry to one Li(1), one Fe(1), and one C(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Li(2), one Fe(1), and one C(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Li(1), one Li(2), and one C(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Li(2), one Fe(1), and one C(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2Fe(CO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.710
_cell_length_b   7.604
_cell_length_c   9.198
_cell_angle_alpha   58.729
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   580.471
_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  0.604  0.625  0.351  1.0
  Li  Li1  1  0.722  0.054  0.800  1.0
  Li  Li2  1  0.104  0.375  0.149  1.0
  Li  Li3  1  0.222  0.946  0.700  1.0
  Li  Li4  1  0.778  0.054  0.300  1.0
  Li  Li5  1  0.896  0.625  0.851  1.0
  Li  Li6  1  0.278  0.946  0.200  1.0
  Li  Li7  1  0.396  0.375  0.649  1.0
  Fe  Fe8  1  0.130  0.522  0.435  1.0
  Fe  Fe9  1  0.630  0.478  0.065  1.0
  Fe  Fe10  1  0.370  0.522  0.935  1.0
  Fe  Fe11  1  0.870  0.478  0.565  1.0
  C  C12  1  0.885  0.532  0.220  1.0
  C  C13  1  0.385  0.468  0.280  1.0
  C  C14  1  0.001  0.076  0.661  1.0
  C  C15  1  0.501  0.924  0.839  1.0
  C  C16  1  0.499  0.076  0.161  1.0
  C  C17  1  0.999  0.924  0.339  1.0
  C  C18  1  0.615  0.532  0.720  1.0
  C  C19  1  0.115  0.468  0.780  1.0
  O  O20  1  0.339  0.465  0.413  1.0
  O  O21  1  0.800  0.520  0.333  1.0
  O  O22  1  0.017  0.538  0.238  1.0
  O  O23  1  0.517  0.462  0.262  1.0
  O  O24  1  0.300  0.480  0.167  1.0
  O  O25  1  0.839  0.535  0.087  1.0
  O  O26  1  0.884  0.160  0.666  1.0
  O  O27  1  0.515  0.119  0.760  1.0
  O  O28  1  0.106  0.192  0.578  1.0
  O  O29  1  0.606  0.808  0.922  1.0
  O  O30  1  0.015  0.881  0.740  1.0
  O  O31  1  0.384  0.840  0.834  1.0
  O  O32  1  0.616  0.160  0.166  1.0
  O  O33  1  0.985  0.119  0.260  1.0
  O  O34  1  0.394  0.192  0.078  1.0
  O  O35  1  0.894  0.808  0.422  1.0
  O  O36  1  0.485  0.881  0.240  1.0
  O  O37  1  0.116  0.840  0.334  1.0
  O  O38  1  0.162  0.465  0.913  1.0
  O  O39  1  0.700  0.520  0.833  1.0
  O  O40  1  0.483  0.538  0.738  1.0
  O  O41  1  0.983  0.462  0.762  1.0
  O  O42  1  0.200  0.480  0.667  1.0
  O  O43  1  0.661  0.535  0.587  1.0
[/CIF]
.
The material described by Li2Fe(CO3)2 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a distorted see-saw-like geometry to one O(1), one O(2), one O(3), and one O(5) atom. In the second Li site, Li(2) is bonded in a 3-coordinate geometry to one O(4), one O(5), and one O(6) atom. Fe(1) is bonded in a distorted trigonal bipyramidal geometry to one O(1), one O(2), one O(3), one O(4), and one O(6) atom. There are two inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(4), one O(5), and one O(6) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one 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 Fe(1), and one C(1) atom. In the third O site, O(3) is bonded in a trigonal non-coplanar geometry to one Li(1), one Fe(1), and one C(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Li(2), one Fe(1), and one C(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Li(1), one Li(2), and one C(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Li(2), one Fe(1), and one C(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2Fe(CO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.710
_cell_length_b   7.604
_cell_length_c   9.198
_cell_angle_alpha   58.729
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   580.471
_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  0.604  0.625  0.351  1.0
  Li  Li1  1  0.722  0.054  0.800  1.0
  Li  Li2  1  0.104  0.375  0.149  1.0
  Li  Li3  1  0.222  0.946  0.700  1.0
  Li  Li4  1  0.778  0.054  0.300  1.0
  Li  Li5  1  0.896  0.625  0.851  1.0
  Li  Li6  1  0.278  0.946  0.200  1.0
  Li  Li7  1  0.396  0.375  0.649  1.0
  Fe  Fe8  1  0.130  0.522  0.435  1.0
  Fe  Fe9  1  0.630  0.478  0.065  1.0
  Fe  Fe10  1  0.370  0.522  0.935  1.0
  Fe  Fe11  1  0.870  0.478  0.565  1.0
  C  C12  1  0.885  0.532  0.220  1.0
  C  C13  1  0.385  0.468  0.280  1.0
  C  C14  1  0.001  0.076  0.661  1.0
  C  C15  1  0.501  0.924  0.839  1.0
  C  C16  1  0.499  0.076  0.161  1.0
  C  C17  1  0.999  0.924  0.339  1.0
  C  C18  1  0.615  0.532  0.720  1.0
  C  C19  1  0.115  0.468  0.780  1.0
  O  O20  1  0.339  0.465  0.413  1.0
  O  O21  1  0.800  0.520  0.333  1.0
  O  O22  1  0.017  0.538  0.238  1.0
  O  O23  1  0.517  0.462  0.262  1.0
  O  O24  1  0.300  0.480  0.167  1.0
  O  O25  1  0.839  0.535  0.087  1.0
  O  O26  1  0.884  0.160  0.666  1.0
  O  O27  1  0.515  0.119  0.760  1.0
  O  O28  1  0.106  0.192  0.578  1.0
  O  O29  1  0.606  0.808  0.922  1.0
  O  O30  1  0.015  0.881  0.740  1.0
  O  O31  1  0.384  0.840  0.834  1.0
  O  O32  1  0.616  0.160  0.166  1.0
  O  O33  1  0.985  0.119  0.260  1.0
  O  O34  1  0.394  0.192  0.078  1.0
  O  O35  1  0.894  0.808  0.422  1.0
  O  O36  1  0.485  0.881  0.240  1.0
  O  O37  1  0.116  0.840  0.334  1.0
  O  O38  1  0.162  0.465  0.913  1.0
  O  O39  1  0.700  0.520  0.833  1.0
  O  O40  1  0.483  0.538  0.738  1.0
  O  O41  1  0.983  0.462  0.762  1.0
  O  O42  1  0.200  0.480  0.667  1.0
  O  O43  1  0.661  0.535  0.587  1.0
[/CIF]
.