The material structure described by Li4CO4 crystallizes in the tetragonal I-42m space group. Li(1) is bonded in a 4-coordinate geometry to four equivalent O(1) atoms. C(1) is bonded in a tetrahedral geometry to four 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 Crystallographic Information File (CIF) [CIF]
data_Li4CO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.086
_cell_length_b   5.086
_cell_length_c   5.086
_cell_angle_alpha   100.638
_cell_angle_beta   100.638
_cell_angle_gamma   129.110
_symmetry_Int_Tables_number   1
_cell_volume   92.156
_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  0.195  0.195  0.659  1.0
  Li  Li1  1  0.463  0.805  0.000  1.0
  Li  Li2  1  0.805  0.463  0.000  1.0
  Li  Li3  1  0.537  0.537  0.341  1.0
  C  C4  1  0.000  0.000  0.000  1.0
  O  O5  1  0.067  0.316  0.000  1.0
  O  O6  1  0.933  0.933  0.249  1.0
  O  O7  1  0.684  0.684  0.751  1.0
  O  O8  1  0.316  0.067  0.000  1.0
[/CIF]
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The material structure described by Li4CO4 crystallizes in the tetragonal I-42m space group. Li(1) is bonded in a 4-coordinate geometry to four equivalent O(1) atoms. C(1) is bonded in a tetrahedral geometry to four 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 Crystallographic Information File (CIF) [CIF]
data_Li4CO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.086
_cell_length_b   5.086
_cell_length_c   5.086
_cell_angle_alpha   100.638
_cell_angle_beta   100.638
_cell_angle_gamma   129.110
_symmetry_Int_Tables_number   1
_cell_volume   92.156
_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  0.195  0.195  0.659  1.0
  Li  Li1  1  0.463  0.805  0.000  1.0
  Li  Li2  1  0.805  0.463  0.000  1.0
  Li  Li3  1  0.537  0.537  0.341  1.0
  C  C4  1  0.000  0.000  0.000  1.0
  O  O5  1  0.067  0.316  0.000  1.0
  O  O6  1  0.933  0.933  0.249  1.0
  O  O7  1  0.684  0.684  0.751  1.0
  O  O8  1  0.316  0.067  0.000  1.0
[/CIF]
.