The compound described by Li2CO3 crystallizes in the hexagonal P6_3/mcm space group. Li(1) is bonded to six equivalent O(1) atoms to form a mixture of face, corner, and edge-sharing LiO6 octahedra. The corner-sharing octahedral tilt angles are 57°. C(1) is bonded in a trigonal planar geometry to three equivalent O(1) atoms. O(1) is bonded in a 5-coordinate geometry to four equivalent Li(1) and one C(1) atom. is represented by the CIF file [CIF]
data_Li2CO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.653
_cell_length_b   4.653
_cell_length_c   5.383
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   100.948
_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  0.333  0.667  0.000  1.0
  Li  Li1  1  0.667  0.333  0.000  1.0
  Li  Li2  1  0.333  0.667  0.500  1.0
  Li  Li3  1  0.667  0.333  0.500  1.0
  C  C4  1  0.000  0.000  0.250  1.0
  C  C5  1  0.000  0.000  0.750  1.0
  O  O6  1  0.720  0.000  0.750  1.0
  O  O7  1  0.280  0.000  0.250  1.0
  O  O8  1  0.000  0.720  0.750  1.0
  O  O9  1  0.000  0.280  0.250  1.0
  O  O10  1  0.280  0.280  0.750  1.0
  O  O11  1  0.720  0.720  0.250  1.0
[/CIF]
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The compound described by Li2CO3 crystallizes in the hexagonal P6_3/mcm space group. Li(1) is bonded to six equivalent O(1) atoms to form a mixture of face, corner, and edge-sharing LiO6 octahedra. The corner-sharing octahedral tilt angles are 57°. C(1) is bonded in a trigonal planar geometry to three equivalent O(1) atoms. O(1) is bonded in a 5-coordinate geometry to four equivalent Li(1) and one C(1) atom. is represented by the CIF file [CIF]
data_Li2CO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.653
_cell_length_b   4.653
_cell_length_c   5.383
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   100.948
_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  0.333  0.667  0.000  1.0
  Li  Li1  1  0.667  0.333  0.000  1.0
  Li  Li2  1  0.333  0.667  0.500  1.0
  Li  Li3  1  0.667  0.333  0.500  1.0
  C  C4  1  0.000  0.000  0.250  1.0
  C  C5  1  0.000  0.000  0.750  1.0
  O  O6  1  0.720  0.000  0.750  1.0
  O  O7  1  0.280  0.000  0.250  1.0
  O  O8  1  0.000  0.720  0.750  1.0
  O  O9  1  0.000  0.280  0.250  1.0
  O  O10  1  0.280  0.280  0.750  1.0
  O  O11  1  0.720  0.720  0.250  1.0
[/CIF]
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