The material structure described by Li3Co2(CO3)4 crystallizes in the triclinic P1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a 5-coordinate geometry to one O(1), one O(12), one O(3), one O(5), and one O(8) atom. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one O(10), one O(12), one O(5), and one O(8) atom. In the third Li site, Li(3) is bonded to one O(11), one O(2), one O(6), one O(7), and one O(9) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one Co(1)O6 octahedra, corners with two equivalent Co(2)O6 octahedra, and  an edgeedge with one Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 31-74°. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(12), one O(4), one O(5), one O(8), and one O(9) atom to form CoO6 octahedra that share  a cornercorner with one Li(3)O5 trigonal bipyramid. In the second Co site, Co(2) is bonded to one O(10), one O(11), one O(2), one O(3), one O(6), and one O(7) atom to form distorted CoO6 octahedra that share corners with two equivalent Li(3)O5 trigonal bipyramids and  an edgeedge with one Li(3)O5 trigonal bipyramid. There are four inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(4) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(10), one O(7), and one O(8) atom. In the third C site, C(3) is bonded in a trigonal planar geometry to one O(3), one O(5), and one O(6) atom. In the fourth C site, C(4) is bonded in a trigonal planar geometry to one O(11), one O(12), and one O(9) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(1), one Co(1), and one C(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(3), one Co(2), and one C(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(1), one Co(2), and one C(3) atom. In the fourth O site, O(4) is bonded in an L-shaped geometry to one Co(1) and one C(1) atom. In the fifth O site, O(5) is bonded to one Li(1), one Li(2), one Co(1), and one C(3) atom to form a mixture of distorted corner and edge-sharing OLi2CoC tetrahedra. In the sixth O site, O(6) is bonded in a distorted T-shaped geometry to one Li(3), one Co(2), and one C(3) atom. In the seventh O site, O(7) is bonded in a distorted T-shaped geometry to one Li(3), one Co(2), and one C(2) atom. In the eighth O site, O(8) is bonded to one Li(1), one Li(2), one Co(1), and one C(2) atom to form a mixture of distorted corner and edge-sharing OLi2CoC tetrahedra. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Li(3), one Co(1), and one C(4) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Li(2), one Co(2), and one C(2) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Li(3), one Co(2), and one C(4) atom. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one Co(1), and one C(4) atom. is represented by the CIF file [CIF]
data_Li3Co2(CO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.374
_cell_length_b   7.836
_cell_length_c   5.209
_cell_angle_alpha   89.556
_cell_angle_beta   114.328
_cell_angle_gamma   90.246
_symmetry_Int_Tables_number   1
_cell_volume   237.054
_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  0.336  0.943  0.627  1.0
  Li  Li1  1  0.655  0.068  0.364  1.0
  Li  Li2  1  0.796  0.557  0.607  1.0
  Co  Co3  1  0.002  0.994  0.995  1.0
  Co  Co4  1  0.486  0.501  0.981  1.0
  C  C5  1  0.116  0.255  0.869  1.0
  C  C6  1  0.625  0.236  0.849  1.0
  C  C7  1  0.391  0.770  0.154  1.0
  C  C8  1  0.880  0.740  0.144  1.0
  O  O9  1  0.086  0.114  0.719  1.0
  O  O10  1  0.151  0.401  0.791  1.0
  O  O11  1  0.386  0.760  0.902  1.0
  O  O12  1  0.093  0.224  0.103  1.0
  O  O13  1  0.350  0.916  0.246  1.0
  O  O14  1  0.441  0.635  0.308  1.0
  O  O15  1  0.614  0.377  0.715  1.0
  O  O16  1  0.655  0.089  0.750  1.0
  O  O17  1  0.901  0.755  0.903  1.0
  O  O18  1  0.595  0.243  0.080  1.0
  O  O19  1  0.831  0.604  0.234  1.0
  O  O20  1  0.919  0.887  0.281  1.0
[/CIF]
.
The material structure described by Li3Co2(CO3)4 crystallizes in the triclinic P1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a 5-coordinate geometry to one O(1), one O(12), one O(3), one O(5), and one O(8) atom. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one O(10), one O(12), one O(5), and one O(8) atom. In the third Li site, Li(3) is bonded to one O(11), one O(2), one O(6), one O(7), and one O(9) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one Co(1)O6 octahedra, corners with two equivalent Co(2)O6 octahedra, and  an edgeedge with one Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 31-74°. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(12), one O(4), one O(5), one O(8), and one O(9) atom to form CoO6 octahedra that share  a cornercorner with one Li(3)O5 trigonal bipyramid. In the second Co site, Co(2) is bonded to one O(10), one O(11), one O(2), one O(3), one O(6), and one O(7) atom to form distorted CoO6 octahedra that share corners with two equivalent Li(3)O5 trigonal bipyramids and  an edgeedge with one Li(3)O5 trigonal bipyramid. There are four inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(4) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(10), one O(7), and one O(8) atom. In the third C site, C(3) is bonded in a trigonal planar geometry to one O(3), one O(5), and one O(6) atom. In the fourth C site, C(4) is bonded in a trigonal planar geometry to one O(11), one O(12), and one O(9) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(1), one Co(1), and one C(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(3), one Co(2), and one C(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(1), one Co(2), and one C(3) atom. In the fourth O site, O(4) is bonded in an L-shaped geometry to one Co(1) and one C(1) atom. In the fifth O site, O(5) is bonded to one Li(1), one Li(2), one Co(1), and one C(3) atom to form a mixture of distorted corner and edge-sharing OLi2CoC tetrahedra. In the sixth O site, O(6) is bonded in a distorted T-shaped geometry to one Li(3), one Co(2), and one C(3) atom. In the seventh O site, O(7) is bonded in a distorted T-shaped geometry to one Li(3), one Co(2), and one C(2) atom. In the eighth O site, O(8) is bonded to one Li(1), one Li(2), one Co(1), and one C(2) atom to form a mixture of distorted corner and edge-sharing OLi2CoC tetrahedra. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Li(3), one Co(1), and one C(4) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Li(2), one Co(2), and one C(2) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Li(3), one Co(2), and one C(4) atom. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one Co(1), and one C(4) atom. is represented by the CIF file [CIF]
data_Li3Co2(CO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.374
_cell_length_b   7.836
_cell_length_c   5.209
_cell_angle_alpha   89.556
_cell_angle_beta   114.328
_cell_angle_gamma   90.246
_symmetry_Int_Tables_number   1
_cell_volume   237.054
_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  0.336  0.943  0.627  1.0
  Li  Li1  1  0.655  0.068  0.364  1.0
  Li  Li2  1  0.796  0.557  0.607  1.0
  Co  Co3  1  0.002  0.994  0.995  1.0
  Co  Co4  1  0.486  0.501  0.981  1.0
  C  C5  1  0.116  0.255  0.869  1.0
  C  C6  1  0.625  0.236  0.849  1.0
  C  C7  1  0.391  0.770  0.154  1.0
  C  C8  1  0.880  0.740  0.144  1.0
  O  O9  1  0.086  0.114  0.719  1.0
  O  O10  1  0.151  0.401  0.791  1.0
  O  O11  1  0.386  0.760  0.902  1.0
  O  O12  1  0.093  0.224  0.103  1.0
  O  O13  1  0.350  0.916  0.246  1.0
  O  O14  1  0.441  0.635  0.308  1.0
  O  O15  1  0.614  0.377  0.715  1.0
  O  O16  1  0.655  0.089  0.750  1.0
  O  O17  1  0.901  0.755  0.903  1.0
  O  O18  1  0.595  0.243  0.080  1.0
  O  O19  1  0.831  0.604  0.234  1.0
  O  O20  1  0.919  0.887  0.281  1.0
[/CIF]
.