The crystal structure described by Li4CO4 crystallizes in the monoclinic Cm space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one O(1), one O(3), and two equivalent O(2) atoms. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one O(1), one O(3), and two equivalent O(2) atoms. C(1) is bonded in a tetrahedral geometry to one O(1), one O(3), and two equivalent O(2) atoms. There are three 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. In the third O site, O(3) 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   4.473
_cell_length_b   4.473
_cell_length_c   4.539
_cell_angle_alpha   85.810
_cell_angle_beta   85.810
_cell_angle_gamma   91.515
_symmetry_Int_Tables_number   1
_cell_volume   90.299
_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  0.031  0.545  0.009  1.0
  Li  Li1  1  0.497  0.962  0.512  1.0
  Li  Li2  1  0.545  0.031  0.009  1.0
  Li  Li3  1  0.962  0.497  0.512  1.0
  C  C4  1  0.005  0.005  0.498  1.0
  O  O5  1  0.184  0.184  0.661  1.0
  O  O6  1  0.184  0.822  0.314  1.0
  O  O7  1  0.811  0.811  0.710  1.0
  O  O8  1  0.822  0.184  0.314  1.0
[/CIF]
.
The crystal structure described by Li4CO4 crystallizes in the monoclinic Cm space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one O(1), one O(3), and two equivalent O(2) atoms. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one O(1), one O(3), and two equivalent O(2) atoms. C(1) is bonded in a tetrahedral geometry to one O(1), one O(3), and two equivalent O(2) atoms. There are three 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. In the third O site, O(3) 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   4.473
_cell_length_b   4.473
_cell_length_c   4.539
_cell_angle_alpha   85.810
_cell_angle_beta   85.810
_cell_angle_gamma   91.515
_symmetry_Int_Tables_number   1
_cell_volume   90.299
_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  0.031  0.545  0.009  1.0
  Li  Li1  1  0.497  0.962  0.512  1.0
  Li  Li2  1  0.545  0.031  0.009  1.0
  Li  Li3  1  0.962  0.497  0.512  1.0
  C  C4  1  0.005  0.005  0.498  1.0
  O  O5  1  0.184  0.184  0.661  1.0
  O  O6  1  0.184  0.822  0.314  1.0
  O  O7  1  0.811  0.811  0.710  1.0
  O  O8  1  0.822  0.184  0.314  1.0
[/CIF]
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