The material structure described by LiFe2(CO3)4 crystallizes in the triclinic P1 space group. Li(1) is bonded to one O(1), one O(10), one O(11), and one O(8) atom to form distorted LiO4 tetrahedra that share corners with two equivalent Fe(2)O6 pentagonal pyramids and  an edgeedge with one Fe(1)O6 pentagonal pyramid. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(10), one O(12), one O(3), one O(4), and one O(9) atom to form distorted FeO6 pentagonal pyramids that share  an edgeedge with one Li(1)O4 tetrahedra. In the second Fe site, Fe(2) is bonded to one O(11), one O(2), one O(5), one O(6), one O(7), and one O(8) atom to form distorted FeO6 pentagonal pyramids that share corners with two equivalent Li(1)O4 tetrahedra. 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(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. In the third C site, C(3) is bonded in a trigonal planar geometry to one O(10), one O(7), and one O(9) atom. In the fourth C site, C(4) is bonded in a trigonal planar geometry to one O(11), one O(12), and one O(8) atom. There are twelve 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 an L-shaped geometry to one Fe(2) and one C(1) atom. In the third O site, O(3) is bonded in an L-shaped geometry to one Fe(1) and one C(2) atom. In the fourth O site, O(4) is bonded in an L-shaped geometry to one Fe(1) and 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 an L-shaped geometry to one Fe(2) and one C(1) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one Fe(2) and one C(3) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Li(1), one Fe(2), and one C(4) atom. In the ninth O site, O(9) is bonded in an L-shaped geometry to one Fe(1) and one C(3) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Li(1), one Fe(1), and one C(3) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Li(1), one Fe(2), and one C(4) atom. In the twelfth O site, O(12) is bonded in a distorted bent 150 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   5.477
_cell_length_b   8.011
_cell_length_c   6.819
_cell_angle_alpha   84.472
_cell_angle_beta   113.604
_cell_angle_gamma   103.604
_symmetry_Int_Tables_number   1
_cell_volume   266.462
_cell_formula_units_Z   1
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  0.767  0.178  0.533  1.0
  Fe  Fe1  1  0.089  0.998  0.978  1.0
  Fe  Fe2  1  0.365  0.504  0.518  1.0
  C  C3  1  0.654  0.786  0.622  1.0
  C  C4  1  0.128  0.709  0.121  1.0
  C  C5  1  0.286  0.283  0.867  1.0
  C  C6  1  0.203  0.210  0.360  1.0
  O  O7  1  0.810  0.938  0.679  1.0
  O  O8  1  0.398  0.755  0.586  1.0
  O  O9  1  0.902  0.759  0.065  1.0
  O  O10  1  0.317  0.823  0.080  1.0
  O  O11  1  0.169  0.566  0.206  1.0
  O  O12  1  0.746  0.658  0.595  1.0
  O  O13  1  0.405  0.425  0.813  1.0
  O  O14  1  0.049  0.276  0.419  1.0
  O  O15  1  0.412  0.157  0.948  1.0
  O  O16  1  0.034  0.248  0.848  1.0
  O  O17  1  0.457  0.295  0.420  1.0
  O  O18  1  0.113  0.071  0.252  1.0
[/CIF]
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The material structure described by LiFe2(CO3)4 crystallizes in the triclinic P1 space group. Li(1) is bonded to one O(1), one O(10), one O(11), and one O(8) atom to form distorted LiO4 tetrahedra that share corners with two equivalent Fe(2)O6 pentagonal pyramids and  an edgeedge with one Fe(1)O6 pentagonal pyramid. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(10), one O(12), one O(3), one O(4), and one O(9) atom to form distorted FeO6 pentagonal pyramids that share  an edgeedge with one Li(1)O4 tetrahedra. In the second Fe site, Fe(2) is bonded to one O(11), one O(2), one O(5), one O(6), one O(7), and one O(8) atom to form distorted FeO6 pentagonal pyramids that share corners with two equivalent Li(1)O4 tetrahedra. 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(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. In the third C site, C(3) is bonded in a trigonal planar geometry to one O(10), one O(7), and one O(9) atom. In the fourth C site, C(4) is bonded in a trigonal planar geometry to one O(11), one O(12), and one O(8) atom. There are twelve 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 an L-shaped geometry to one Fe(2) and one C(1) atom. In the third O site, O(3) is bonded in an L-shaped geometry to one Fe(1) and one C(2) atom. In the fourth O site, O(4) is bonded in an L-shaped geometry to one Fe(1) and 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 an L-shaped geometry to one Fe(2) and one C(1) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one Fe(2) and one C(3) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Li(1), one Fe(2), and one C(4) atom. In the ninth O site, O(9) is bonded in an L-shaped geometry to one Fe(1) and one C(3) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Li(1), one Fe(1), and one C(3) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Li(1), one Fe(2), and one C(4) atom. In the twelfth O site, O(12) is bonded in a distorted bent 150 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   5.477
_cell_length_b   8.011
_cell_length_c   6.819
_cell_angle_alpha   84.472
_cell_angle_beta   113.604
_cell_angle_gamma   103.604
_symmetry_Int_Tables_number   1
_cell_volume   266.462
_cell_formula_units_Z   1
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  0.767  0.178  0.533  1.0
  Fe  Fe1  1  0.089  0.998  0.978  1.0
  Fe  Fe2  1  0.365  0.504  0.518  1.0
  C  C3  1  0.654  0.786  0.622  1.0
  C  C4  1  0.128  0.709  0.121  1.0
  C  C5  1  0.286  0.283  0.867  1.0
  C  C6  1  0.203  0.210  0.360  1.0
  O  O7  1  0.810  0.938  0.679  1.0
  O  O8  1  0.398  0.755  0.586  1.0
  O  O9  1  0.902  0.759  0.065  1.0
  O  O10  1  0.317  0.823  0.080  1.0
  O  O11  1  0.169  0.566  0.206  1.0
  O  O12  1  0.746  0.658  0.595  1.0
  O  O13  1  0.405  0.425  0.813  1.0
  O  O14  1  0.049  0.276  0.419  1.0
  O  O15  1  0.412  0.157  0.948  1.0
  O  O16  1  0.034  0.248  0.848  1.0
  O  O17  1  0.457  0.295  0.420  1.0
  O  O18  1  0.113  0.071  0.252  1.0
[/CIF]
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