The compound described by LiFe(CO3)2 crystallizes in the monoclinic Cc space group. Li(1) is bonded in a 5-coordinate geometry to one O(1), one O(3), one O(4), one O(5), and one O(6) atom. Fe(1) is bonded in a pentagonal pyramidal geometry to one O(1), 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(6) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(3), one O(4), and one O(5) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 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 L-shaped geometry to 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(2) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Li(1), 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 Fe(1), and one C(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Li(1), one Fe(1), and one C(1) atom. is represented by the CIF card [CIF]
data_LiFe(CO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.164
_cell_length_b   6.164
_cell_length_c   8.303
_cell_angle_alpha   82.674
_cell_angle_beta   82.674
_cell_angle_gamma   126.067
_symmetry_Int_Tables_number   1
_cell_volume   244.750
_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  0.545  0.718  0.656  1.0
  Li  Li1  1  0.718  0.545  0.156  1.0
  Fe  Fe2  1  0.171  0.904  0.500  1.0
  Fe  Fe3  1  0.904  0.171  0.000  1.0
  C  C4  1  0.948  0.615  0.790  1.0
  C  C5  1  0.997  0.150  0.705  1.0
  C  C6  1  0.615  0.948  0.290  1.0
  C  C7  1  0.150  0.997  0.205  1.0
  O  O8  1  0.845  0.460  0.943  1.0
  O  O9  1  0.202  0.842  0.741  1.0
  O  O10  1  0.180  0.358  0.758  1.0
  O  O11  1  0.757  0.964  0.814  1.0
  O  O12  1  0.041  0.123  0.556  1.0
  O  O13  1  0.806  0.553  0.677  1.0
  O  O14  1  0.460  0.845  0.443  1.0
  O  O15  1  0.358  0.180  0.258  1.0
  O  O16  1  0.553  0.806  0.177  1.0
  O  O17  1  0.842  0.202  0.241  1.0
  O  O18  1  0.964  0.757  0.314  1.0
  O  O19  1  0.123  0.041  0.056  1.0
[/CIF]
.
The compound described by LiFe(CO3)2 crystallizes in the monoclinic Cc space group. Li(1) is bonded in a 5-coordinate geometry to one O(1), one O(3), one O(4), one O(5), and one O(6) atom. Fe(1) is bonded in a pentagonal pyramidal geometry to one O(1), 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(6) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(3), one O(4), and one O(5) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 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 L-shaped geometry to 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(2) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Li(1), 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 Fe(1), and one C(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Li(1), one Fe(1), and one C(1) atom. is represented by the CIF card [CIF]
data_LiFe(CO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.164
_cell_length_b   6.164
_cell_length_c   8.303
_cell_angle_alpha   82.674
_cell_angle_beta   82.674
_cell_angle_gamma   126.067
_symmetry_Int_Tables_number   1
_cell_volume   244.750
_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  0.545  0.718  0.656  1.0
  Li  Li1  1  0.718  0.545  0.156  1.0
  Fe  Fe2  1  0.171  0.904  0.500  1.0
  Fe  Fe3  1  0.904  0.171  0.000  1.0
  C  C4  1  0.948  0.615  0.790  1.0
  C  C5  1  0.997  0.150  0.705  1.0
  C  C6  1  0.615  0.948  0.290  1.0
  C  C7  1  0.150  0.997  0.205  1.0
  O  O8  1  0.845  0.460  0.943  1.0
  O  O9  1  0.202  0.842  0.741  1.0
  O  O10  1  0.180  0.358  0.758  1.0
  O  O11  1  0.757  0.964  0.814  1.0
  O  O12  1  0.041  0.123  0.556  1.0
  O  O13  1  0.806  0.553  0.677  1.0
  O  O14  1  0.460  0.845  0.443  1.0
  O  O15  1  0.358  0.180  0.258  1.0
  O  O16  1  0.553  0.806  0.177  1.0
  O  O17  1  0.842  0.202  0.241  1.0
  O  O18  1  0.964  0.757  0.314  1.0
  O  O19  1  0.123  0.041  0.056  1.0
[/CIF]
.