The material structure described by Li2Fe2(CO3)3 crystallizes in the orthorhombic Amm2 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to two equivalent O(2) and four equivalent O(4) atoms. In the second Li site, Li(2) is bonded in a 6-coordinate geometry to two equivalent O(3) and four equivalent O(4) atoms. Fe(1) is bonded in a 7-coordinate geometry to one O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. There are two inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one O(1) and two equivalent O(3) atoms. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(2) and two equivalent O(4) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to two equivalent Fe(1) and one C(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Li(1), two equivalent Fe(1), and one C(2) atom. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(2), two equivalent Fe(1), and one C(1) atom. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(2), one Fe(1), and one C(2) atom. is represented by the CIF card [CIF]
data_Li2Fe2(CO3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.910
_cell_length_b   6.113
_cell_length_c   6.113
_cell_angle_alpha   109.002
_cell_angle_beta   89.995
_cell_angle_gamma   89.994
_symmetry_Int_Tables_number   1
_cell_volume   173.473
_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
  C  C0  1  0.500  0.248  0.248  1.0
  C  C1  1  0.000  0.852  0.448  1.0
  C  C2  1  1.000  0.448  0.852  1.0
  Fe  Fe3  1  0.500  0.827  0.265  1.0
  Fe  Fe4  1  0.500  0.265  0.827  1.0
  Li  Li5  1  0.000  0.895  0.895  1.0
  Li  Li6  1  0.500  0.620  0.620  1.0
  O  O7  1  0.500  0.060  0.060  1.0
  O  O8  1  0.000  0.874  0.246  1.0
  O  O9  1  0.000  0.246  0.874  1.0
  O  O10  1  0.500  0.446  0.218  1.0
  O  O11  1  0.500  0.218  0.446  1.0
  O  O12  1  0.771  0.840  0.550  1.0
  O  O13  1  0.771  0.549  0.840  1.0
  O  O14  1  0.229  0.840  0.550  1.0
  O  O15  1  0.229  0.550  0.840  1.0
[/CIF]
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The material structure described by Li2Fe2(CO3)3 crystallizes in the orthorhombic Amm2 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to two equivalent O(2) and four equivalent O(4) atoms. In the second Li site, Li(2) is bonded in a 6-coordinate geometry to two equivalent O(3) and four equivalent O(4) atoms. Fe(1) is bonded in a 7-coordinate geometry to one O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. There are two inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one O(1) and two equivalent O(3) atoms. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(2) and two equivalent O(4) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to two equivalent Fe(1) and one C(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Li(1), two equivalent Fe(1), and one C(2) atom. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(2), two equivalent Fe(1), and one C(1) atom. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(2), one Fe(1), and one C(2) atom. is represented by the CIF card [CIF]
data_Li2Fe2(CO3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.910
_cell_length_b   6.113
_cell_length_c   6.113
_cell_angle_alpha   109.002
_cell_angle_beta   89.995
_cell_angle_gamma   89.994
_symmetry_Int_Tables_number   1
_cell_volume   173.473
_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
  C  C0  1  0.500  0.248  0.248  1.0
  C  C1  1  0.000  0.852  0.448  1.0
  C  C2  1  1.000  0.448  0.852  1.0
  Fe  Fe3  1  0.500  0.827  0.265  1.0
  Fe  Fe4  1  0.500  0.265  0.827  1.0
  Li  Li5  1  0.000  0.895  0.895  1.0
  Li  Li6  1  0.500  0.620  0.620  1.0
  O  O7  1  0.500  0.060  0.060  1.0
  O  O8  1  0.000  0.874  0.246  1.0
  O  O9  1  0.000  0.246  0.874  1.0
  O  O10  1  0.500  0.446  0.218  1.0
  O  O11  1  0.500  0.218  0.446  1.0
  O  O12  1  0.771  0.840  0.550  1.0
  O  O13  1  0.771  0.549  0.840  1.0
  O  O14  1  0.229  0.840  0.550  1.0
  O  O15  1  0.229  0.550  0.840  1.0
[/CIF]
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