The structure described by Li2Fe2(CO3)3 crystallizes in the triclinic P1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded in a distorted rectangular see-saw-like geometry to one O(11), one O(2), one O(5), and one O(6) atom. In the second Li site, Li(2) is bonded in a distorted square co-planar geometry to one O(18), one O(2), one O(4), and one O(9) atom. In the third Li site, Li(3) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(12), one O(17), one O(6), and one O(9) atom. In the fourth Li site, Li(4) is bonded in a distorted rectangular see-saw-like geometry to one O(12), one O(16), one O(18), and one O(5) atom. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(14), one O(15), one O(4), one O(5), and one O(7) atom to form corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles are 65°. In the second Fe site, Fe(2) is bonded in a 6-coordinate geometry to one O(12), one O(13), one O(6), one O(7), one O(8), and one O(9) atom. In the third Fe site, Fe(3) is bonded to one O(10), one O(11), one O(13), one O(15), one O(18), and one O(3) atom to form corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 64-65°. In the fourth Fe site, Fe(4) is bonded to one O(14), one O(16), one O(17), one O(2), one O(3), and one O(8) atom to form corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 64-65°. There are six inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one O(1), one O(13), and one O(2) 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(6) atom. In the third C site, C(3) is bonded in a trigonal planar geometry to one O(10), one O(5), and one O(8) atom. In the fourth C site, C(4) is bonded in a trigonal planar geometry to one O(15), one O(16), and one O(9) atom. In the fifth C site, C(5) is bonded in a trigonal planar geometry to one O(11), one O(12), and one O(14) atom. In the sixth C site, C(6) is bonded in a trigonal planar geometry to one O(17), one O(18), and one O(7) atom. There are eighteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(3), one Fe(1), and one C(1) atom. In the second O site, O(2) is bonded to one Li(1), one Li(2), one Fe(4), and one C(1) atom to form distorted corner-sharing OLi2FeC tetrahedra. In the third O site, O(3) is bonded in a trigonal planar geometry to one Fe(3), one Fe(4), and one C(2) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Li(2), one Fe(1), and one C(2) atom. In the fifth O site, O(5) is bonded to one Li(1), one Li(4), one Fe(1), and one C(3) atom to form corner-sharing OLi2FeC tetrahedra. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Li(1), one Li(3), one Fe(2), and one C(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(2), and one C(6) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Fe(2), one Fe(4), and one C(3) atom. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Li(2), one Li(3), one Fe(2), and one C(4) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Li(3), one Fe(3), 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(3), and one C(5) atom. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one Li(3), one Li(4), one Fe(2), and one C(5) atom. In the thirteenth O site, O(13) is bonded in a distorted trigonal planar geometry to one Fe(2), one Fe(3), and one C(1) atom. In the fourteenth O site, O(14) is bonded in a trigonal planar geometry to one Fe(1), one Fe(4), and one C(5) atom. In the fifteenth O site, O(15) is bonded in a trigonal planar geometry to one Fe(1), one Fe(3), and one C(4) atom. In the sixteenth O site, O(16) is bonded in a 3-coordinate geometry to one Li(4), one Fe(4), and one C(4) atom. In the seventeenth O site, O(17) is bonded in a distorted trigonal planar geometry to one Li(3), one Fe(4), and one C(6) atom. In the eighteenth O site, O(18) is bonded to one Li(2), one Li(4), one Fe(3), and one C(6) atom to form distorted corner-sharing OLi2FeC tetrahedra. is represented by the CIF card [CIF]
data_Li2Fe2(CO3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.501
_cell_length_b   7.515
_cell_length_c   7.569
_cell_angle_alpha   107.979
_cell_angle_beta   108.187
_cell_angle_gamma   107.778
_symmetry_Int_Tables_number   1
_cell_volume   345.397
_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  0.659  0.127  0.386  1.0
  Li  Li1  1  0.387  0.657  0.126  1.0
  Li  Li2  1  0.152  0.156  0.158  1.0
  Li  Li3  1  0.124  0.386  0.659  1.0
  Fe  Fe4  1  0.964  0.853  0.463  1.0
  Fe  Fe5  1  0.577  0.573  0.583  1.0
  Fe  Fe6  1  0.856  0.464  0.970  1.0
  Fe  Fe7  1  0.462  0.968  0.855  1.0
  C  C8  1  0.754  0.841  0.076  1.0
  C  C9  1  0.613  0.412  0.202  1.0
  C  C10  1  0.840  0.076  0.753  1.0
  C  C11  1  0.206  0.611  0.413  1.0
  C  C12  1  0.406  0.201  0.607  1.0
  C  C13  1  0.075  0.754  0.842  1.0
  O  O14  1  0.941  0.962  0.222  1.0
  O  O15  1  0.600  0.888  0.087  1.0
  O  O16  1  0.629  0.302  0.041  1.0
  O  O17  1  0.645  0.603  0.244  1.0
  O  O18  1  0.888  0.090  0.601  1.0
  O  O19  1  0.567  0.331  0.318  1.0
  O  O20  1  0.921  0.708  0.672  1.0
  O  O21  1  0.671  0.923  0.710  1.0
  O  O22  1  0.318  0.560  0.327  1.0
  O  O23  1  0.964  0.220  0.941  1.0
  O  O24  1  0.601  0.258  0.644  1.0
  O  O25  1  0.313  0.306  0.548  1.0
  O  O26  1  0.714  0.674  0.922  1.0
  O  O27  1  0.304  0.041  0.628  1.0
  O  O28  1  0.043  0.627  0.306  1.0
  O  O29  1  0.257  0.645  0.605  1.0
  O  O30  1  0.218  0.943  0.963  1.0
  O  O31  1  0.091  0.602  0.892  1.0
[/CIF]
.
The structure described by Li2Fe2(CO3)3 crystallizes in the triclinic P1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded in a distorted rectangular see-saw-like geometry to one O(11), one O(2), one O(5), and one O(6) atom. In the second Li site, Li(2) is bonded in a distorted square co-planar geometry to one O(18), one O(2), one O(4), and one O(9) atom. In the third Li site, Li(3) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(12), one O(17), one O(6), and one O(9) atom. In the fourth Li site, Li(4) is bonded in a distorted rectangular see-saw-like geometry to one O(12), one O(16), one O(18), and one O(5) atom. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(14), one O(15), one O(4), one O(5), and one O(7) atom to form corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles are 65°. In the second Fe site, Fe(2) is bonded in a 6-coordinate geometry to one O(12), one O(13), one O(6), one O(7), one O(8), and one O(9) atom. In the third Fe site, Fe(3) is bonded to one O(10), one O(11), one O(13), one O(15), one O(18), and one O(3) atom to form corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 64-65°. In the fourth Fe site, Fe(4) is bonded to one O(14), one O(16), one O(17), one O(2), one O(3), and one O(8) atom to form corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 64-65°. There are six inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one O(1), one O(13), and one O(2) 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(6) atom. In the third C site, C(3) is bonded in a trigonal planar geometry to one O(10), one O(5), and one O(8) atom. In the fourth C site, C(4) is bonded in a trigonal planar geometry to one O(15), one O(16), and one O(9) atom. In the fifth C site, C(5) is bonded in a trigonal planar geometry to one O(11), one O(12), and one O(14) atom. In the sixth C site, C(6) is bonded in a trigonal planar geometry to one O(17), one O(18), and one O(7) atom. There are eighteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(3), one Fe(1), and one C(1) atom. In the second O site, O(2) is bonded to one Li(1), one Li(2), one Fe(4), and one C(1) atom to form distorted corner-sharing OLi2FeC tetrahedra. In the third O site, O(3) is bonded in a trigonal planar geometry to one Fe(3), one Fe(4), and one C(2) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Li(2), one Fe(1), and one C(2) atom. In the fifth O site, O(5) is bonded to one Li(1), one Li(4), one Fe(1), and one C(3) atom to form corner-sharing OLi2FeC tetrahedra. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Li(1), one Li(3), one Fe(2), and one C(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(2), and one C(6) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Fe(2), one Fe(4), and one C(3) atom. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Li(2), one Li(3), one Fe(2), and one C(4) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Li(3), one Fe(3), 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(3), and one C(5) atom. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one Li(3), one Li(4), one Fe(2), and one C(5) atom. In the thirteenth O site, O(13) is bonded in a distorted trigonal planar geometry to one Fe(2), one Fe(3), and one C(1) atom. In the fourteenth O site, O(14) is bonded in a trigonal planar geometry to one Fe(1), one Fe(4), and one C(5) atom. In the fifteenth O site, O(15) is bonded in a trigonal planar geometry to one Fe(1), one Fe(3), and one C(4) atom. In the sixteenth O site, O(16) is bonded in a 3-coordinate geometry to one Li(4), one Fe(4), and one C(4) atom. In the seventeenth O site, O(17) is bonded in a distorted trigonal planar geometry to one Li(3), one Fe(4), and one C(6) atom. In the eighteenth O site, O(18) is bonded to one Li(2), one Li(4), one Fe(3), and one C(6) atom to form distorted corner-sharing OLi2FeC tetrahedra. is represented by the CIF card [CIF]
data_Li2Fe2(CO3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.501
_cell_length_b   7.515
_cell_length_c   7.569
_cell_angle_alpha   107.979
_cell_angle_beta   108.187
_cell_angle_gamma   107.778
_symmetry_Int_Tables_number   1
_cell_volume   345.397
_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  0.659  0.127  0.386  1.0
  Li  Li1  1  0.387  0.657  0.126  1.0
  Li  Li2  1  0.152  0.156  0.158  1.0
  Li  Li3  1  0.124  0.386  0.659  1.0
  Fe  Fe4  1  0.964  0.853  0.463  1.0
  Fe  Fe5  1  0.577  0.573  0.583  1.0
  Fe  Fe6  1  0.856  0.464  0.970  1.0
  Fe  Fe7  1  0.462  0.968  0.855  1.0
  C  C8  1  0.754  0.841  0.076  1.0
  C  C9  1  0.613  0.412  0.202  1.0
  C  C10  1  0.840  0.076  0.753  1.0
  C  C11  1  0.206  0.611  0.413  1.0
  C  C12  1  0.406  0.201  0.607  1.0
  C  C13  1  0.075  0.754  0.842  1.0
  O  O14  1  0.941  0.962  0.222  1.0
  O  O15  1  0.600  0.888  0.087  1.0
  O  O16  1  0.629  0.302  0.041  1.0
  O  O17  1  0.645  0.603  0.244  1.0
  O  O18  1  0.888  0.090  0.601  1.0
  O  O19  1  0.567  0.331  0.318  1.0
  O  O20  1  0.921  0.708  0.672  1.0
  O  O21  1  0.671  0.923  0.710  1.0
  O  O22  1  0.318  0.560  0.327  1.0
  O  O23  1  0.964  0.220  0.941  1.0
  O  O24  1  0.601  0.258  0.644  1.0
  O  O25  1  0.313  0.306  0.548  1.0
  O  O26  1  0.714  0.674  0.922  1.0
  O  O27  1  0.304  0.041  0.628  1.0
  O  O28  1  0.043  0.627  0.306  1.0
  O  O29  1  0.257  0.645  0.605  1.0
  O  O30  1  0.218  0.943  0.963  1.0
  O  O31  1  0.091  0.602  0.892  1.0
[/CIF]
.