The compound 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 to one O(2), one O(3), one O(4), and one O(7) atom to form distorted LiO4 tetrahedra that share corners with two equivalent Co(2)O6 pentagonal pyramids. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one O(10), one O(11), one O(6), and one O(8) atom. In the third Li site, Li(3) is bonded to one O(1), one O(10), one O(12), one O(8), and one O(9) atom to form distorted LiO5 square pyramids that share corners with two equivalent Co(2)O6 pentagonal pyramids. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(11), one O(12), one O(2), and one O(3) atom. In the second Co site, Co(2) is bonded to one O(4), one O(5), one O(6), one O(7), one O(8), and one O(9) atom to form distorted CoO6 pentagonal pyramids that share corners with two equivalent Li(3)O5 square pyramids and corners with two equivalent Li(1)O4 tetrahedra. 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(4), and one O(5) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(2), one O(3), and one O(6) atom. In the third C site, C(3) is bonded in a trigonal planar geometry to one O(10), one O(11), and one O(7) atom. In the fourth C site, C(4) is bonded in a trigonal planar geometry to one O(12), one O(8), and one O(9) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(3), one Co(1), and one C(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(1), one Co(1), and one C(2) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Li(1), one Co(1), and one C(2) atom. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Co(2), and one C(1) atom. In the fifth O site, O(5) is bonded in a distorted L-shaped geometry to one Co(2) and one C(1) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Li(2), one Co(2), and one C(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Li(1), one Co(2), and one C(3) atom. In the eighth O site, O(8) is bonded in a distorted see-saw-like geometry to one Li(2), one Li(3), one Co(2), and one C(4) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Li(3), one Co(2), and one C(4) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Li(2), one Li(3), one Co(1), and one C(3) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Li(2), one Co(1), and one C(3) atom. In the twelfth O site, O(12) is bonded in a distorted T-shaped geometry to one Li(3), 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   5.605
_cell_length_b   6.086
_cell_length_c   8.336
_cell_angle_alpha   85.235
_cell_angle_beta   104.922
_cell_angle_gamma   116.598
_symmetry_Int_Tables_number   1
_cell_volume   245.528
_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  0.461  0.904  0.337  1.0
  Li  Li1  1  0.191  0.088  0.652  1.0
  Li  Li2  1  0.312  0.617  0.863  1.0
  Co  Co3  1  0.928  0.027  0.010  1.0
  Co  Co4  1  0.679  0.495  0.499  1.0
  C  C5  1  0.384  0.428  0.215  1.0
  C  C6  1  0.924  0.902  0.300  1.0
  C  C7  1  0.682  0.085  0.696  1.0
  C  C8  1  0.726  0.587  0.793  1.0
  O  O9  1  0.226  0.387  0.067  1.0
  O  O10  1  0.123  0.928  0.240  1.0
  O  O11  1  0.729  0.947  0.205  1.0
  O  O12  1  0.333  0.505  0.338  1.0
  O  O13  1  0.603  0.392  0.255  1.0
  O  O14  1  0.920  0.839  0.455  1.0
  O  O15  1  0.626  0.153  0.541  1.0
  O  O16  1  0.488  0.496  0.680  1.0
  O  O17  1  0.934  0.599  0.746  1.0
  O  O18  1  0.497  0.002  0.778  1.0
  O  O19  1  0.928  0.105  0.762  1.0
  O  O20  1  0.737  0.662  0.933  1.0
[/CIF]
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The compound 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 to one O(2), one O(3), one O(4), and one O(7) atom to form distorted LiO4 tetrahedra that share corners with two equivalent Co(2)O6 pentagonal pyramids. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one O(10), one O(11), one O(6), and one O(8) atom. In the third Li site, Li(3) is bonded to one O(1), one O(10), one O(12), one O(8), and one O(9) atom to form distorted LiO5 square pyramids that share corners with two equivalent Co(2)O6 pentagonal pyramids. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(11), one O(12), one O(2), and one O(3) atom. In the second Co site, Co(2) is bonded to one O(4), one O(5), one O(6), one O(7), one O(8), and one O(9) atom to form distorted CoO6 pentagonal pyramids that share corners with two equivalent Li(3)O5 square pyramids and corners with two equivalent Li(1)O4 tetrahedra. 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(4), and one O(5) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(2), one O(3), and one O(6) atom. In the third C site, C(3) is bonded in a trigonal planar geometry to one O(10), one O(11), and one O(7) atom. In the fourth C site, C(4) is bonded in a trigonal planar geometry to one O(12), one O(8), and one O(9) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(3), one Co(1), and one C(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(1), one Co(1), and one C(2) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Li(1), one Co(1), and one C(2) atom. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Co(2), and one C(1) atom. In the fifth O site, O(5) is bonded in a distorted L-shaped geometry to one Co(2) and one C(1) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Li(2), one Co(2), and one C(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Li(1), one Co(2), and one C(3) atom. In the eighth O site, O(8) is bonded in a distorted see-saw-like geometry to one Li(2), one Li(3), one Co(2), and one C(4) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Li(3), one Co(2), and one C(4) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Li(2), one Li(3), one Co(1), and one C(3) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Li(2), one Co(1), and one C(3) atom. In the twelfth O site, O(12) is bonded in a distorted T-shaped geometry to one Li(3), 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   5.605
_cell_length_b   6.086
_cell_length_c   8.336
_cell_angle_alpha   85.235
_cell_angle_beta   104.922
_cell_angle_gamma   116.598
_symmetry_Int_Tables_number   1
_cell_volume   245.528
_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  0.461  0.904  0.337  1.0
  Li  Li1  1  0.191  0.088  0.652  1.0
  Li  Li2  1  0.312  0.617  0.863  1.0
  Co  Co3  1  0.928  0.027  0.010  1.0
  Co  Co4  1  0.679  0.495  0.499  1.0
  C  C5  1  0.384  0.428  0.215  1.0
  C  C6  1  0.924  0.902  0.300  1.0
  C  C7  1  0.682  0.085  0.696  1.0
  C  C8  1  0.726  0.587  0.793  1.0
  O  O9  1  0.226  0.387  0.067  1.0
  O  O10  1  0.123  0.928  0.240  1.0
  O  O11  1  0.729  0.947  0.205  1.0
  O  O12  1  0.333  0.505  0.338  1.0
  O  O13  1  0.603  0.392  0.255  1.0
  O  O14  1  0.920  0.839  0.455  1.0
  O  O15  1  0.626  0.153  0.541  1.0
  O  O16  1  0.488  0.496  0.680  1.0
  O  O17  1  0.934  0.599  0.746  1.0
  O  O18  1  0.497  0.002  0.778  1.0
  O  O19  1  0.928  0.105  0.762  1.0
  O  O20  1  0.737  0.662  0.933  1.0
[/CIF]
.