The crystal structure described by LiFe2(CO3)4 crystallizes in the monoclinic P2_1 space group. Li(1) is bonded in a 5-coordinate geometry to one O(1), one O(10), one O(2), one O(3), and one O(7) atom. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 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 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 2-coordinate 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 3-coordinate geometry to one Li(1), one Fe(2), and one C(1) atom. In the fourth O site, O(4) is bonded in a single-bond geometry to one C(2) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to 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 bent 150 degrees geometry to one Li(1) 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 bent 150 degrees geometry to 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(1), one Fe(2), and one C(4) atom. In the eleventh O site, O(11) is bonded in a bent 120 degrees geometry to one Fe(2) and one C(4) atom. In the twelfth O site, O(12) is bonded in a distorted bent 120 degrees geometry to one Fe(1) and one C(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiFe2(CO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.676
_cell_length_b   7.355
_cell_length_c   8.506
_cell_angle_alpha   71.298
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   573.319
_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  0.914  0.256  0.106  1.0
  Li  Li1  1  0.414  0.744  0.894  1.0
  Fe  Fe2  1  0.346  0.290  0.184  1.0
  Fe  Fe3  1  0.846  0.710  0.816  1.0
  Fe  Fe4  1  0.150  0.820  0.670  1.0
  Fe  Fe5  1  0.650  0.180  0.330  1.0
  C  C6  1  0.115  0.516  1.000  1.0
  C  C7  1  0.615  0.484  0.000  1.0
  C  C8  1  0.485  0.505  0.383  1.0
  C  C9  1  0.985  0.495  0.617  1.0
  C  C10  1  0.997  0.013  0.891  1.0
  C  C11  1  0.497  0.987  0.109  1.0
  C  C12  1  0.402  0.000  0.521  1.0
  C  C13  1  0.902  1.000  0.479  1.0
  O  O14  1  0.158  0.372  0.123  1.0
  O  O15  1  0.482  0.466  0.017  1.0
  O  O16  1  0.701  0.369  0.099  1.0
  O  O17  1  0.201  0.631  0.901  1.0
  O  O18  1  0.982  0.534  0.983  1.0
  O  O19  1  0.977  0.366  0.549  1.0
  O  O20  1  0.658  0.628  0.877  1.0
  O  O21  1  0.601  0.415  0.386  1.0
  O  O22  1  0.375  0.469  0.312  1.0
  O  O23  1  0.875  0.531  0.688  1.0
  O  O24  1  0.101  0.585  0.614  1.0
  O  O25  1  0.508  0.863  0.038  1.0
  O  O26  1  0.477  0.634  0.451  1.0
  O  O27  1  0.886  0.905  0.914  1.0
  O  O28  1  0.094  0.989  0.792  1.0
  O  O29  1  0.594  0.011  0.208  1.0
  O  O30  1  0.386  0.095  0.086  1.0
  O  O31  1  0.348  0.875  0.653  1.0
  O  O32  1  0.008  0.137  0.962  1.0
  O  O33  1  0.031  0.965  0.480  1.0
  O  O34  1  0.819  0.919  0.600  1.0
  O  O35  1  0.319  0.081  0.400  1.0
  O  O36  1  0.531  0.035  0.520  1.0
  O  O37  1  0.848  0.125  0.347  1.0
[/CIF]
.
The crystal structure described by LiFe2(CO3)4 crystallizes in the monoclinic P2_1 space group. Li(1) is bonded in a 5-coordinate geometry to one O(1), one O(10), one O(2), one O(3), and one O(7) atom. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 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 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 2-coordinate 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 3-coordinate geometry to one Li(1), one Fe(2), and one C(1) atom. In the fourth O site, O(4) is bonded in a single-bond geometry to one C(2) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to 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 bent 150 degrees geometry to one Li(1) 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 bent 150 degrees geometry to 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(1), one Fe(2), and one C(4) atom. In the eleventh O site, O(11) is bonded in a bent 120 degrees geometry to one Fe(2) and one C(4) atom. In the twelfth O site, O(12) is bonded in a distorted bent 120 degrees geometry to one Fe(1) and one C(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiFe2(CO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.676
_cell_length_b   7.355
_cell_length_c   8.506
_cell_angle_alpha   71.298
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   573.319
_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  0.914  0.256  0.106  1.0
  Li  Li1  1  0.414  0.744  0.894  1.0
  Fe  Fe2  1  0.346  0.290  0.184  1.0
  Fe  Fe3  1  0.846  0.710  0.816  1.0
  Fe  Fe4  1  0.150  0.820  0.670  1.0
  Fe  Fe5  1  0.650  0.180  0.330  1.0
  C  C6  1  0.115  0.516  1.000  1.0
  C  C7  1  0.615  0.484  0.000  1.0
  C  C8  1  0.485  0.505  0.383  1.0
  C  C9  1  0.985  0.495  0.617  1.0
  C  C10  1  0.997  0.013  0.891  1.0
  C  C11  1  0.497  0.987  0.109  1.0
  C  C12  1  0.402  0.000  0.521  1.0
  C  C13  1  0.902  1.000  0.479  1.0
  O  O14  1  0.158  0.372  0.123  1.0
  O  O15  1  0.482  0.466  0.017  1.0
  O  O16  1  0.701  0.369  0.099  1.0
  O  O17  1  0.201  0.631  0.901  1.0
  O  O18  1  0.982  0.534  0.983  1.0
  O  O19  1  0.977  0.366  0.549  1.0
  O  O20  1  0.658  0.628  0.877  1.0
  O  O21  1  0.601  0.415  0.386  1.0
  O  O22  1  0.375  0.469  0.312  1.0
  O  O23  1  0.875  0.531  0.688  1.0
  O  O24  1  0.101  0.585  0.614  1.0
  O  O25  1  0.508  0.863  0.038  1.0
  O  O26  1  0.477  0.634  0.451  1.0
  O  O27  1  0.886  0.905  0.914  1.0
  O  O28  1  0.094  0.989  0.792  1.0
  O  O29  1  0.594  0.011  0.208  1.0
  O  O30  1  0.386  0.095  0.086  1.0
  O  O31  1  0.348  0.875  0.653  1.0
  O  O32  1  0.008  0.137  0.962  1.0
  O  O33  1  0.031  0.965  0.480  1.0
  O  O34  1  0.819  0.919  0.600  1.0
  O  O35  1  0.319  0.081  0.400  1.0
  O  O36  1  0.531  0.035  0.520  1.0
  O  O37  1  0.848  0.125  0.347  1.0
[/CIF]
.