The material described by Li4CO4 crystallizes in the monoclinic C2 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent O(2) atoms. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent O(2) atoms. C(1) is bonded in a tetrahedral geometry to two equivalent O(1) and two equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to two equivalent Li(1), two equivalent Li(2), and one C(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to two equivalent Li(1), two equivalent Li(2), and one C(1) atom. is represented by the CIF card [CIF]
data_Li4CO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.077
_cell_length_b   5.077
_cell_length_c   6.296
_cell_angle_alpha   51.633
_cell_angle_beta   51.633
_cell_angle_gamma   51.126
_symmetry_Int_Tables_number   1
_cell_volume   91.693
_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  0.834  0.478  0.656  1.0
  Li  Li1  1  0.522  0.166  0.344  1.0
  Li  Li2  1  0.242  0.405  0.012  1.0
  Li  Li3  1  0.595  0.758  0.988  1.0
  C  C4  1  0.048  0.952  0.000  1.0
  O  O5  1  0.981  0.268  0.000  1.0
  O  O6  1  0.120  0.643  0.250  1.0
  O  O7  1  0.732  0.019  1.000  1.0
  O  O8  1  0.357  0.880  0.750  1.0
[/CIF]
.
The material described by Li4CO4 crystallizes in the monoclinic C2 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent O(2) atoms. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent O(2) atoms. C(1) is bonded in a tetrahedral geometry to two equivalent O(1) and two equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to two equivalent Li(1), two equivalent Li(2), and one C(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to two equivalent Li(1), two equivalent Li(2), and one C(1) atom. is represented by the CIF card [CIF]
data_Li4CO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.077
_cell_length_b   5.077
_cell_length_c   6.296
_cell_angle_alpha   51.633
_cell_angle_beta   51.633
_cell_angle_gamma   51.126
_symmetry_Int_Tables_number   1
_cell_volume   91.693
_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  0.834  0.478  0.656  1.0
  Li  Li1  1  0.522  0.166  0.344  1.0
  Li  Li2  1  0.242  0.405  0.012  1.0
  Li  Li3  1  0.595  0.758  0.988  1.0
  C  C4  1  0.048  0.952  0.000  1.0
  O  O5  1  0.981  0.268  0.000  1.0
  O  O6  1  0.120  0.643  0.250  1.0
  O  O7  1  0.732  0.019  1.000  1.0
  O  O8  1  0.357  0.880  0.750  1.0
[/CIF]
.