The structure described by LiFeCO4 crystallizes in the orthorhombic Ccc2 space group. Li(1) is bonded to one O(2), one O(3), one O(4), and two equivalent O(1) atoms to form distorted LiO5 trigonal bipyramids that share corners with four equivalent Fe(1)O4 tetrahedra and  an edgeedge with one Li(1)O5 trigonal bipyramid. Fe(1) is bonded to one O(2), one O(3), and two equivalent O(4) atoms to form FeO4 tetrahedra that share corners with two equivalent Fe(1)O4 tetrahedra and corners with four equivalent Li(1)O5 trigonal bipyramids. C(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Li(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(1), and one C(1) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Li(1) and two equivalent Fe(1) atoms. is represented by the CIF card [CIF]
data_LiFeCO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.341
_cell_length_b   8.341
_cell_length_c   6.083
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   121.253
_symmetry_Int_Tables_number   1
_cell_volume   361.791
_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  0.207  0.030  0.502  1.0
  Li  Li1  1  0.030  0.207  0.002  1.0
  Li  Li2  1  0.970  0.793  0.002  1.0
  Li  Li3  1  0.793  0.970  0.502  1.0
  Fe  Fe4  1  0.702  0.278  0.762  1.0
  Fe  Fe5  1  0.722  0.298  0.262  1.0
  Fe  Fe6  1  0.278  0.702  0.262  1.0
  Fe  Fe7  1  0.298  0.722  0.762  1.0
  C  C8  1  0.355  0.154  0.023  1.0
  C  C9  1  0.846  0.645  0.523  1.0
  C  C10  1  0.154  0.355  0.523  1.0
  C  C11  1  0.645  0.846  0.023  1.0
  O  O12  1  0.183  0.088  0.036  1.0
  O  O13  1  0.437  0.174  0.831  1.0
  O  O14  1  0.456  0.199  0.205  1.0
  O  O15  1  0.731  0.172  0.509  1.0
  O  O16  1  0.828  0.269  0.009  1.0
  O  O17  1  0.088  0.183  0.536  1.0
  O  O18  1  0.801  0.544  0.705  1.0
  O  O19  1  0.826  0.563  0.331  1.0
  O  O20  1  0.174  0.437  0.331  1.0
  O  O21  1  0.199  0.456  0.705  1.0
  O  O22  1  0.912  0.817  0.536  1.0
  O  O23  1  0.172  0.731  0.009  1.0
  O  O24  1  0.269  0.828  0.509  1.0
  O  O25  1  0.544  0.801  0.205  1.0
  O  O26  1  0.563  0.826  0.831  1.0
  O  O27  1  0.817  0.912  0.036  1.0
[/CIF]
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The structure described by LiFeCO4 crystallizes in the orthorhombic Ccc2 space group. Li(1) is bonded to one O(2), one O(3), one O(4), and two equivalent O(1) atoms to form distorted LiO5 trigonal bipyramids that share corners with four equivalent Fe(1)O4 tetrahedra and  an edgeedge with one Li(1)O5 trigonal bipyramid. Fe(1) is bonded to one O(2), one O(3), and two equivalent O(4) atoms to form FeO4 tetrahedra that share corners with two equivalent Fe(1)O4 tetrahedra and corners with four equivalent Li(1)O5 trigonal bipyramids. C(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Li(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(1), and one C(1) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Li(1) and two equivalent Fe(1) atoms. is represented by the CIF card [CIF]
data_LiFeCO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.341
_cell_length_b   8.341
_cell_length_c   6.083
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   121.253
_symmetry_Int_Tables_number   1
_cell_volume   361.791
_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  0.207  0.030  0.502  1.0
  Li  Li1  1  0.030  0.207  0.002  1.0
  Li  Li2  1  0.970  0.793  0.002  1.0
  Li  Li3  1  0.793  0.970  0.502  1.0
  Fe  Fe4  1  0.702  0.278  0.762  1.0
  Fe  Fe5  1  0.722  0.298  0.262  1.0
  Fe  Fe6  1  0.278  0.702  0.262  1.0
  Fe  Fe7  1  0.298  0.722  0.762  1.0
  C  C8  1  0.355  0.154  0.023  1.0
  C  C9  1  0.846  0.645  0.523  1.0
  C  C10  1  0.154  0.355  0.523  1.0
  C  C11  1  0.645  0.846  0.023  1.0
  O  O12  1  0.183  0.088  0.036  1.0
  O  O13  1  0.437  0.174  0.831  1.0
  O  O14  1  0.456  0.199  0.205  1.0
  O  O15  1  0.731  0.172  0.509  1.0
  O  O16  1  0.828  0.269  0.009  1.0
  O  O17  1  0.088  0.183  0.536  1.0
  O  O18  1  0.801  0.544  0.705  1.0
  O  O19  1  0.826  0.563  0.331  1.0
  O  O20  1  0.174  0.437  0.331  1.0
  O  O21  1  0.199  0.456  0.705  1.0
  O  O22  1  0.912  0.817  0.536  1.0
  O  O23  1  0.172  0.731  0.009  1.0
  O  O24  1  0.269  0.828  0.509  1.0
  O  O25  1  0.544  0.801  0.205  1.0
  O  O26  1  0.563  0.826  0.831  1.0
  O  O27  1  0.817  0.912  0.036  1.0
[/CIF]
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