The material structure described by Li3Fe2(CO3)4 crystallizes in the monoclinic P2_1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one O(3), one O(5), one O(7), and one O(9) atom. In the second Li site, Li(2) is bonded in a rectangular see-saw-like geometry to one O(10), one O(2), one O(3), and one O(7) atom. In the third Li site, Li(3) is bonded in a distorted see-saw-like geometry to one O(1), one O(11), one O(12), and one O(4) atom. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a distorted trigonal bipyramidal geometry to one O(1), one O(12), one O(2), one O(6), and one O(8) atom. In the second Fe site, Fe(2) is bonded in a distorted trigonal bipyramidal geometry to one O(10), one O(11), one O(3), one O(5), and one O(9) atom. There are four 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. In the third C site, C(3) is bonded in a trigonal planar geometry to one O(7), one O(8), and one O(9) atom. In the fourth C site, C(4) is bonded in a trigonal planar geometry to one O(10), one O(11), and one O(12) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(3), one Fe(1), and one C(1) atom. In the second O site, O(2) is bonded in a trigonal non-coplanar geometry to one Li(2), one Fe(1), and one C(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one Fe(2), and one C(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Li(3) and one C(2) atom. In the fifth O site, O(5) is bonded in a trigonal non-coplanar geometry to one Li(1), one Fe(2), and one C(2) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Fe(1) and one C(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Li(1), one Li(2), and one C(3) atom. In the eighth O site, O(8) is bonded in a bent 120 degrees geometry to one Fe(1) and one C(3) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Li(1), one Fe(2), and one C(3) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Li(2), one Fe(2), and one C(4) atom. In the eleventh O site, O(11) is bonded in a trigonal non-coplanar geometry to one Li(3), one Fe(2), and one C(4) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Li(3), one Fe(1), and one C(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li3Fe2(CO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.726
_cell_length_b   7.126
_cell_length_c   8.465
_cell_angle_alpha   70.418
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   552.766
_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  0.182  0.313  0.813  1.0
  Li  Li1  1  0.893  0.254  0.091  1.0
  Li  Li2  1  0.393  0.746  0.909  1.0
  Li  Li3  1  0.682  0.687  0.187  1.0
  Li  Li4  1  0.606  0.751  0.593  1.0
  Li  Li5  1  0.106  0.249  0.407  1.0
  Fe  Fe6  1  0.369  0.297  0.188  1.0
  Fe  Fe7  1  0.869  0.703  0.812  1.0
  Fe  Fe8  1  0.133  0.800  0.676  1.0
  Fe  Fe9  1  0.633  0.200  0.324  1.0
  C  C10  1  0.112  0.497  0.032  1.0
  C  C11  1  0.612  0.503  0.968  1.0
  C  C12  1  0.484  0.526  0.393  1.0
  C  C13  1  0.984  0.474  0.607  1.0
  C  C14  1  0.014  0.030  0.884  1.0
  C  C15  1  0.514  0.970  0.116  1.0
  C  C16  1  0.385  0.999  0.532  1.0
  C  C17  1  0.885  0.001  0.468  1.0
  O  O18  1  0.158  0.365  0.167  1.0
  O  O19  1  0.480  0.475  0.986  1.0
  O  O20  1  0.698  0.409  0.085  1.0
  O  O21  1  0.198  0.591  0.915  1.0
  O  O22  1  0.980  0.525  0.014  1.0
  O  O23  1  0.976  0.363  0.520  1.0
  O  O24  1  0.658  0.635  0.833  1.0
  O  O25  1  0.607  0.452  0.372  1.0
  O  O26  1  0.379  0.484  0.316  1.0
  O  O27  1  0.879  0.516  0.684  1.0
  O  O28  1  0.107  0.548  0.628  1.0
  O  O29  1  0.522  0.834  0.049  1.0
  O  O30  1  0.476  0.637  0.480  1.0
  O  O31  1  0.905  0.918  0.904  1.0
  O  O32  1  0.119  0.008  0.795  1.0
  O  O33  1  0.619  0.992  0.205  1.0
  O  O34  1  0.405  0.082  0.096  1.0
  O  O35  1  0.341  0.867  0.669  1.0
  O  O36  1  0.022  0.166  0.951  1.0
  O  O37  1  0.017  0.973  0.486  1.0
  O  O38  1  0.799  0.902  0.581  1.0
  O  O39  1  0.299  0.098  0.419  1.0
  O  O40  1  0.517  0.027  0.514  1.0
  O  O41  1  0.841  0.133  0.331  1.0
[/CIF]
.
The material structure described by Li3Fe2(CO3)4 crystallizes in the monoclinic P2_1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one O(3), one O(5), one O(7), and one O(9) atom. In the second Li site, Li(2) is bonded in a rectangular see-saw-like geometry to one O(10), one O(2), one O(3), and one O(7) atom. In the third Li site, Li(3) is bonded in a distorted see-saw-like geometry to one O(1), one O(11), one O(12), and one O(4) atom. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a distorted trigonal bipyramidal geometry to one O(1), one O(12), one O(2), one O(6), and one O(8) atom. In the second Fe site, Fe(2) is bonded in a distorted trigonal bipyramidal geometry to one O(10), one O(11), one O(3), one O(5), and one O(9) atom. There are four 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. In the third C site, C(3) is bonded in a trigonal planar geometry to one O(7), one O(8), and one O(9) atom. In the fourth C site, C(4) is bonded in a trigonal planar geometry to one O(10), one O(11), and one O(12) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(3), one Fe(1), and one C(1) atom. In the second O site, O(2) is bonded in a trigonal non-coplanar geometry to one Li(2), one Fe(1), and one C(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one Fe(2), and one C(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Li(3) and one C(2) atom. In the fifth O site, O(5) is bonded in a trigonal non-coplanar geometry to one Li(1), one Fe(2), and one C(2) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Fe(1) and one C(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Li(1), one Li(2), and one C(3) atom. In the eighth O site, O(8) is bonded in a bent 120 degrees geometry to one Fe(1) and one C(3) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Li(1), one Fe(2), and one C(3) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Li(2), one Fe(2), and one C(4) atom. In the eleventh O site, O(11) is bonded in a trigonal non-coplanar geometry to one Li(3), one Fe(2), and one C(4) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Li(3), one Fe(1), and one C(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li3Fe2(CO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.726
_cell_length_b   7.126
_cell_length_c   8.465
_cell_angle_alpha   70.418
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   552.766
_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  0.182  0.313  0.813  1.0
  Li  Li1  1  0.893  0.254  0.091  1.0
  Li  Li2  1  0.393  0.746  0.909  1.0
  Li  Li3  1  0.682  0.687  0.187  1.0
  Li  Li4  1  0.606  0.751  0.593  1.0
  Li  Li5  1  0.106  0.249  0.407  1.0
  Fe  Fe6  1  0.369  0.297  0.188  1.0
  Fe  Fe7  1  0.869  0.703  0.812  1.0
  Fe  Fe8  1  0.133  0.800  0.676  1.0
  Fe  Fe9  1  0.633  0.200  0.324  1.0
  C  C10  1  0.112  0.497  0.032  1.0
  C  C11  1  0.612  0.503  0.968  1.0
  C  C12  1  0.484  0.526  0.393  1.0
  C  C13  1  0.984  0.474  0.607  1.0
  C  C14  1  0.014  0.030  0.884  1.0
  C  C15  1  0.514  0.970  0.116  1.0
  C  C16  1  0.385  0.999  0.532  1.0
  C  C17  1  0.885  0.001  0.468  1.0
  O  O18  1  0.158  0.365  0.167  1.0
  O  O19  1  0.480  0.475  0.986  1.0
  O  O20  1  0.698  0.409  0.085  1.0
  O  O21  1  0.198  0.591  0.915  1.0
  O  O22  1  0.980  0.525  0.014  1.0
  O  O23  1  0.976  0.363  0.520  1.0
  O  O24  1  0.658  0.635  0.833  1.0
  O  O25  1  0.607  0.452  0.372  1.0
  O  O26  1  0.379  0.484  0.316  1.0
  O  O27  1  0.879  0.516  0.684  1.0
  O  O28  1  0.107  0.548  0.628  1.0
  O  O29  1  0.522  0.834  0.049  1.0
  O  O30  1  0.476  0.637  0.480  1.0
  O  O31  1  0.905  0.918  0.904  1.0
  O  O32  1  0.119  0.008  0.795  1.0
  O  O33  1  0.619  0.992  0.205  1.0
  O  O34  1  0.405  0.082  0.096  1.0
  O  O35  1  0.341  0.867  0.669  1.0
  O  O36  1  0.022  0.166  0.951  1.0
  O  O37  1  0.017  0.973  0.486  1.0
  O  O38  1  0.799  0.902  0.581  1.0
  O  O39  1  0.299  0.098  0.419  1.0
  O  O40  1  0.517  0.027  0.514  1.0
  O  O41  1  0.841  0.133  0.331  1.0
[/CIF]
.