The compound described by LiFe(CO3)2 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded in a distorted see-saw-like geometry to one O(1), one O(2), one O(3), and one O(4) atom. Fe(1) is bonded in a distorted trigonal bipyramidal geometry to one O(1), one O(2), one O(3), 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 Fe(1), and one C(1) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Fe(1), and one C(1) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Li(1), one Fe(1), and one C(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Li(1) and one C(2) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Fe(1) 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. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiFe(CO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.992
_cell_length_b   7.335
_cell_length_c   9.103
_cell_angle_alpha   57.422
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   562.228
_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  0.611  0.658  0.835  1.0
  Li  Li1  1  0.111  0.342  0.665  1.0
  Li  Li2  1  0.889  0.658  0.335  1.0
  Li  Li3  1  0.389  0.342  0.165  1.0
  Fe  Fe4  1  0.146  0.514  0.925  1.0
  Fe  Fe5  1  0.646  0.486  0.575  1.0
  Fe  Fe6  1  0.354  0.514  0.425  1.0
  Fe  Fe7  1  0.854  0.486  0.075  1.0
  C  C8  1  0.389  0.468  0.776  1.0
  C  C9  1  0.889  0.532  0.724  1.0
  C  C10  1  0.009  0.094  0.141  1.0
  C  C11  1  0.509  0.906  0.359  1.0
  C  C12  1  0.491  0.094  0.641  1.0
  C  C13  1  0.991  0.906  0.859  1.0
  C  C14  1  0.111  0.468  0.276  1.0
  C  C15  1  0.611  0.532  0.224  1.0
  O  O16  1  0.340  0.477  0.906  1.0
  O  O17  1  0.017  0.534  0.737  1.0
  O  O18  1  0.807  0.537  0.831  1.0
  O  O19  1  0.307  0.463  0.669  1.0
  O  O20  1  0.517  0.466  0.763  1.0
  O  O21  1  0.508  0.108  0.282  1.0
  O  O22  1  0.840  0.523  0.594  1.0
  O  O23  1  0.904  0.199  0.147  1.0
  O  O24  1  0.114  0.207  0.051  1.0
  O  O25  1  0.614  0.793  0.449  1.0
  O  O26  1  0.404  0.801  0.353  1.0
  O  O27  1  0.992  0.108  0.782  1.0
  O  O28  1  0.008  0.892  0.218  1.0
  O  O29  1  0.596  0.199  0.647  1.0
  O  O30  1  0.386  0.207  0.551  1.0
  O  O31  1  0.886  0.793  0.949  1.0
  O  O32  1  0.096  0.801  0.853  1.0
  O  O33  1  0.160  0.477  0.406  1.0
  O  O34  1  0.492  0.892  0.718  1.0
  O  O35  1  0.483  0.534  0.237  1.0
  O  O36  1  0.693  0.537  0.331  1.0
  O  O37  1  0.193  0.463  0.169  1.0
  O  O38  1  0.983  0.466  0.263  1.0
  O  O39  1  0.660  0.523  0.094  1.0
[/CIF]
.
The compound described by LiFe(CO3)2 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded in a distorted see-saw-like geometry to one O(1), one O(2), one O(3), and one O(4) atom. Fe(1) is bonded in a distorted trigonal bipyramidal geometry to one O(1), one O(2), one O(3), 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 Fe(1), and one C(1) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Fe(1), and one C(1) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Li(1), one Fe(1), and one C(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Li(1) and one C(2) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Fe(1) 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. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiFe(CO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.992
_cell_length_b   7.335
_cell_length_c   9.103
_cell_angle_alpha   57.422
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   562.228
_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  0.611  0.658  0.835  1.0
  Li  Li1  1  0.111  0.342  0.665  1.0
  Li  Li2  1  0.889  0.658  0.335  1.0
  Li  Li3  1  0.389  0.342  0.165  1.0
  Fe  Fe4  1  0.146  0.514  0.925  1.0
  Fe  Fe5  1  0.646  0.486  0.575  1.0
  Fe  Fe6  1  0.354  0.514  0.425  1.0
  Fe  Fe7  1  0.854  0.486  0.075  1.0
  C  C8  1  0.389  0.468  0.776  1.0
  C  C9  1  0.889  0.532  0.724  1.0
  C  C10  1  0.009  0.094  0.141  1.0
  C  C11  1  0.509  0.906  0.359  1.0
  C  C12  1  0.491  0.094  0.641  1.0
  C  C13  1  0.991  0.906  0.859  1.0
  C  C14  1  0.111  0.468  0.276  1.0
  C  C15  1  0.611  0.532  0.224  1.0
  O  O16  1  0.340  0.477  0.906  1.0
  O  O17  1  0.017  0.534  0.737  1.0
  O  O18  1  0.807  0.537  0.831  1.0
  O  O19  1  0.307  0.463  0.669  1.0
  O  O20  1  0.517  0.466  0.763  1.0
  O  O21  1  0.508  0.108  0.282  1.0
  O  O22  1  0.840  0.523  0.594  1.0
  O  O23  1  0.904  0.199  0.147  1.0
  O  O24  1  0.114  0.207  0.051  1.0
  O  O25  1  0.614  0.793  0.449  1.0
  O  O26  1  0.404  0.801  0.353  1.0
  O  O27  1  0.992  0.108  0.782  1.0
  O  O28  1  0.008  0.892  0.218  1.0
  O  O29  1  0.596  0.199  0.647  1.0
  O  O30  1  0.386  0.207  0.551  1.0
  O  O31  1  0.886  0.793  0.949  1.0
  O  O32  1  0.096  0.801  0.853  1.0
  O  O33  1  0.160  0.477  0.406  1.0
  O  O34  1  0.492  0.892  0.718  1.0
  O  O35  1  0.483  0.534  0.237  1.0
  O  O36  1  0.693  0.537  0.331  1.0
  O  O37  1  0.193  0.463  0.169  1.0
  O  O38  1  0.983  0.466  0.263  1.0
  O  O39  1  0.660  0.523  0.094  1.0
[/CIF]
.