The material structure 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 rectangular see-saw-like geometry to one O(1), one O(4), one O(5), and one O(6) atom. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one O(1), one O(2), one O(3), and one O(6) atom. Fe(1) is bonded in a distorted square pyramidal geometry to one O(2), one O(3), one O(4), one O(5), 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 Li(2), and one C(1) atom. In the second O site, O(2) is bonded in a distorted 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 3-coordinate geometry to one Li(2), 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(1), one Fe(1), 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(1), and one C(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal pyramidal geometry to one Li(1), one Li(2), one Fe(1), and one C(2) atom. is represented by the CIF card [CIF]
data_Li2Fe(CO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.859
_cell_length_b   7.017
_cell_length_c   9.110
_cell_angle_alpha   64.129
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   567.058
_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  0.391  0.640  0.849  1.0
  Li  Li1  1  0.683  0.845  0.568  1.0
  Li  Li2  1  0.109  0.640  0.349  1.0
  Li  Li3  1  0.817  0.845  0.068  1.0
  Li  Li4  1  0.183  0.155  0.932  1.0
  Li  Li5  1  0.891  0.360  0.651  1.0
  Li  Li6  1  0.317  0.155  0.432  1.0
  Li  Li7  1  0.609  0.360  0.151  1.0
  Fe  Fe8  1  0.871  0.519  0.929  1.0
  Fe  Fe9  1  0.629  0.519  0.429  1.0
  Fe  Fe10  1  0.371  0.481  0.571  1.0
  Fe  Fe11  1  0.129  0.481  0.071  1.0
  C  C12  1  0.020  0.921  0.867  1.0
  C  C13  1  0.480  0.921  0.367  1.0
  C  C14  1  0.614  0.475  0.787  1.0
  C  C15  1  0.114  0.525  0.713  1.0
  C  C16  1  0.886  0.475  0.287  1.0
  C  C17  1  0.386  0.525  0.213  1.0
  C  C18  1  0.520  0.079  0.633  1.0
  C  C19  1  0.980  0.079  0.133  1.0
  O  O20  1  0.532  0.877  0.706  1.0
  O  O21  1  0.901  0.834  0.870  1.0
  O  O22  1  0.968  0.877  0.206  1.0
  O  O23  1  0.599  0.834  0.370  1.0
  O  O24  1  0.377  0.806  0.445  1.0
  O  O25  1  0.660  0.468  0.922  1.0
  O  O26  1  0.986  0.554  0.724  1.0
  O  O27  1  0.197  0.482  0.835  1.0
  O  O28  1  0.697  0.518  0.665  1.0
  O  O29  1  0.486  0.446  0.776  1.0
  O  O30  1  0.123  0.806  0.945  1.0
  O  O31  1  0.160  0.532  0.578  1.0
  O  O32  1  0.840  0.468  0.422  1.0
  O  O33  1  0.877  0.194  0.055  1.0
  O  O34  1  0.514  0.554  0.224  1.0
  O  O35  1  0.303  0.482  0.335  1.0
  O  O36  1  0.803  0.518  0.165  1.0
  O  O37  1  0.014  0.446  0.276  1.0
  O  O38  1  0.340  0.532  0.078  1.0
  O  O39  1  0.623  0.194  0.555  1.0
  O  O40  1  0.401  0.166  0.630  1.0
  O  O41  1  0.032  0.123  0.794  1.0
  O  O42  1  0.099  0.166  0.130  1.0
  O  O43  1  0.468  0.123  0.294  1.0
[/CIF]
.
The material structure 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 rectangular see-saw-like geometry to one O(1), one O(4), one O(5), and one O(6) atom. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one O(1), one O(2), one O(3), and one O(6) atom. Fe(1) is bonded in a distorted square pyramidal geometry to one O(2), one O(3), one O(4), one O(5), 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 Li(2), and one C(1) atom. In the second O site, O(2) is bonded in a distorted 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 3-coordinate geometry to one Li(2), 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(1), one Fe(1), 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(1), and one C(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal pyramidal geometry to one Li(1), one Li(2), one Fe(1), and one C(2) atom. is represented by the CIF card [CIF]
data_Li2Fe(CO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.859
_cell_length_b   7.017
_cell_length_c   9.110
_cell_angle_alpha   64.129
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   567.058
_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  0.391  0.640  0.849  1.0
  Li  Li1  1  0.683  0.845  0.568  1.0
  Li  Li2  1  0.109  0.640  0.349  1.0
  Li  Li3  1  0.817  0.845  0.068  1.0
  Li  Li4  1  0.183  0.155  0.932  1.0
  Li  Li5  1  0.891  0.360  0.651  1.0
  Li  Li6  1  0.317  0.155  0.432  1.0
  Li  Li7  1  0.609  0.360  0.151  1.0
  Fe  Fe8  1  0.871  0.519  0.929  1.0
  Fe  Fe9  1  0.629  0.519  0.429  1.0
  Fe  Fe10  1  0.371  0.481  0.571  1.0
  Fe  Fe11  1  0.129  0.481  0.071  1.0
  C  C12  1  0.020  0.921  0.867  1.0
  C  C13  1  0.480  0.921  0.367  1.0
  C  C14  1  0.614  0.475  0.787  1.0
  C  C15  1  0.114  0.525  0.713  1.0
  C  C16  1  0.886  0.475  0.287  1.0
  C  C17  1  0.386  0.525  0.213  1.0
  C  C18  1  0.520  0.079  0.633  1.0
  C  C19  1  0.980  0.079  0.133  1.0
  O  O20  1  0.532  0.877  0.706  1.0
  O  O21  1  0.901  0.834  0.870  1.0
  O  O22  1  0.968  0.877  0.206  1.0
  O  O23  1  0.599  0.834  0.370  1.0
  O  O24  1  0.377  0.806  0.445  1.0
  O  O25  1  0.660  0.468  0.922  1.0
  O  O26  1  0.986  0.554  0.724  1.0
  O  O27  1  0.197  0.482  0.835  1.0
  O  O28  1  0.697  0.518  0.665  1.0
  O  O29  1  0.486  0.446  0.776  1.0
  O  O30  1  0.123  0.806  0.945  1.0
  O  O31  1  0.160  0.532  0.578  1.0
  O  O32  1  0.840  0.468  0.422  1.0
  O  O33  1  0.877  0.194  0.055  1.0
  O  O34  1  0.514  0.554  0.224  1.0
  O  O35  1  0.303  0.482  0.335  1.0
  O  O36  1  0.803  0.518  0.165  1.0
  O  O37  1  0.014  0.446  0.276  1.0
  O  O38  1  0.340  0.532  0.078  1.0
  O  O39  1  0.623  0.194  0.555  1.0
  O  O40  1  0.401  0.166  0.630  1.0
  O  O41  1  0.032  0.123  0.794  1.0
  O  O42  1  0.099  0.166  0.130  1.0
  O  O43  1  0.468  0.123  0.294  1.0
[/CIF]
.