The structure described by Li4CO4 crystallizes in the monoclinic Cm space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one O(2), one O(3), and two equivalent O(1) atoms. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one O(2), one O(3), and two equivalent O(1) atoms. In the third Li site, Li(3) is bonded in a 2-coordinate geometry to one O(2) and two equivalent O(3) atoms. C(1) is bonded in a tetrahedral geometry to one O(2), one O(3), and two equivalent O(1) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), two equivalent Li(2), and one C(1) atom. In the second O site, O(2) is bonded in a trigonal bipyramidal geometry to one Li(1), one Li(3), two equivalent Li(2), and one C(1) atom. In the third O site, O(3) is bonded in a 6-coordinate geometry to one Li(1), two equivalent Li(2), two equivalent Li(3), and one C(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li4CO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.674
_cell_length_b   4.674
_cell_length_c   4.790
_cell_angle_alpha   70.186
_cell_angle_beta   70.186
_cell_angle_gamma   102.256
_symmetry_Int_Tables_number   1
_cell_volume   86.080
_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  0.722  0.722  0.076  1.0
  Li  Li1  1  0.558  0.044  0.447  1.0
  Li  Li2  1  0.044  0.558  0.447  1.0
  Li  Li3  1  0.282  0.282  0.865  1.0
  C  C4  1  0.036  0.036  0.501  1.0
  O  O5  1  0.785  0.104  0.698  1.0
  O  O6  1  0.104  0.785  0.698  1.0
  O  O7  1  0.941  0.941  0.283  1.0
  O  O8  1  0.329  0.329  0.307  1.0
[/CIF]
.
The structure described by Li4CO4 crystallizes in the monoclinic Cm space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one O(2), one O(3), and two equivalent O(1) atoms. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one O(2), one O(3), and two equivalent O(1) atoms. In the third Li site, Li(3) is bonded in a 2-coordinate geometry to one O(2) and two equivalent O(3) atoms. C(1) is bonded in a tetrahedral geometry to one O(2), one O(3), and two equivalent O(1) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), two equivalent Li(2), and one C(1) atom. In the second O site, O(2) is bonded in a trigonal bipyramidal geometry to one Li(1), one Li(3), two equivalent Li(2), and one C(1) atom. In the third O site, O(3) is bonded in a 6-coordinate geometry to one Li(1), two equivalent Li(2), two equivalent Li(3), and one C(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li4CO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.674
_cell_length_b   4.674
_cell_length_c   4.790
_cell_angle_alpha   70.186
_cell_angle_beta   70.186
_cell_angle_gamma   102.256
_symmetry_Int_Tables_number   1
_cell_volume   86.080
_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  0.722  0.722  0.076  1.0
  Li  Li1  1  0.558  0.044  0.447  1.0
  Li  Li2  1  0.044  0.558  0.447  1.0
  Li  Li3  1  0.282  0.282  0.865  1.0
  C  C4  1  0.036  0.036  0.501  1.0
  O  O5  1  0.785  0.104  0.698  1.0
  O  O6  1  0.104  0.785  0.698  1.0
  O  O7  1  0.941  0.941  0.283  1.0
  O  O8  1  0.329  0.329  0.307  1.0
[/CIF]
.