The material described by Li2Co(CO3)2 crystallizes in the triclinic P1 space group. There are eight inequivalent Li sites. In the first Li site, Li(1) is bonded in a 3-coordinate geometry to one O(10), one O(18), one O(2), and one O(5) atom. In the second Li site, Li(2) is bonded to one O(1), one O(17), one O(6), and one O(9) atom to form LiO4 tetrahedra that share  a cornercorner with one Co(3)O6 octahedra,  a cornercorner with one Co(4)O6 octahedra, corners with two equivalent Co(2)O6 octahedra, and corners with two equivalent Li(5)O4 trigonal pyramids. The corner-sharing octahedral tilt angles range from 40-75°. In the third Li site, Li(3) is bonded in a 4-coordinate geometry to one O(11), one O(22), one O(4), and one O(8) atom. In the fourth Li site, Li(4) is bonded in a 4-coordinate geometry to one O(12), one O(21), one O(3), and one O(7) atom. In the fifth Li site, Li(5) is bonded to one O(16), one O(17), one O(24), and one O(9) atom to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Co(3)O6 octahedra,  a cornercorner with one Co(4)O6 octahedra, corners with two equivalent Li(2)O4 tetrahedra, and  an edgeedge with one Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-79°. In the sixth Li site, Li(6) is bonded to one O(10), one O(15), one O(18), and one O(23) atom to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra, and  an edgeedge with one Co(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-78°. In the seventh Li site, Li(7) is bonded to one O(13), one O(20), one O(22), and one O(4) atom to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra, and  an edgeedge with one Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-82°. In the eighth Li site, Li(8) is bonded to one O(14), one O(19), one O(21), and one O(3) atom to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(4)O6 octahedra, and  an edgeedge with one Co(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-82°. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(2), one O(20), one O(21), one O(23), one O(4), and one O(7) atom to form distorted CoO6 octahedra that share  a cornercorner with one Li(6)O4 trigonal pyramid,  a cornercorner with one Li(8)O4 trigonal pyramid, and  an edgeedge with one Li(7)O4 trigonal pyramid. In the second Co site, Co(2) is bonded to one O(11), one O(13), one O(15), one O(17), one O(5), and one O(9) atom to form CoO6 octahedra that share corners with two equivalent Li(2)O4 tetrahedra,  a cornercorner with one Li(6)O4 trigonal pyramid,  a cornercorner with one Li(7)O4 trigonal pyramid, and  an edgeedge with one Li(5)O4 trigonal pyramid. In the third Co site, Co(3) is bonded to one O(1), one O(19), one O(22), one O(24), one O(3), and one O(8) atom to form distorted CoO6 octahedra that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(5)O4 trigonal pyramid,  a cornercorner with one Li(7)O4 trigonal pyramid, and  an edgeedge with one Li(8)O4 trigonal pyramid. In the fourth Co site, Co(4) is bonded to one O(10), one O(12), one O(14), one O(16), one O(18), and one O(6) atom to form CoO6 octahedra that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(5)O4 trigonal pyramid,  a cornercorner with one Li(8)O4 trigonal pyramid, and  an edgeedge with one Li(6)O4 trigonal pyramid. There are eight inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one O(1), one O(3), 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(4), and one O(6) atom. In the third C site, C(3) is bonded in a trigonal planar geometry to one O(11), one O(7), and one O(9) atom. In the fourth C site, C(4) is bonded in a trigonal planar geometry to one O(10), one O(12), and one O(8) atom. In the fifth C site, C(5) is bonded in a trigonal planar geometry to one O(13), one O(15), and one O(19) atom. In the sixth C site, C(6) is bonded in a trigonal planar geometry to one O(14), one O(16), and one O(20) atom. In the seventh C site, C(7) is bonded in a trigonal planar geometry to one O(17), one O(21), and one O(23) atom. In the eighth C site, C(8) is bonded in a trigonal planar geometry to one O(18), one O(22), and one O(24) atom. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(2), one Co(3), 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 to one Li(4), one Li(8), one Co(3), and one C(1) atom to form a mixture of distorted corner and edge-sharing OLi2CoC trigonal pyramids. In the fourth O site, O(4) is bonded to one Li(3), one Li(7), one Co(1), and one C(2) atom to form a mixture of distorted corner and edge-sharing OLi2CoC trigonal pyramids. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Co(2), and one C(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one Li(2), one Co(4), and one C(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Li(4), one Co(1), and one C(3) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Li(3), one Co(3), and one C(4) atom. In the ninth O site, O(9) is bonded in a distorted trigonal pyramidal geometry to one Li(2), one Li(5), one Co(2), and one C(3) atom. In the tenth O site, O(10) is bonded in a distorted trigonal pyramidal geometry to one Li(1), one Li(6), one Co(4), and one C(4) 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(3) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Li(4), one Co(4), and one C(4) atom. In the thirteenth O site, O(13) is bonded in a 3-coordinate geometry to one Li(7), one Co(2), and one C(5) atom. In the fourteenth O site, O(14) is bonded in a 3-coordinate geometry to one Li(8), one Co(4), and one C(6) atom. In the fifteenth O site, O(15) is bonded in a distorted T-shaped geometry to one Li(6), one Co(2), and one C(5) atom. In the sixteenth O site, O(16) is bonded in a distorted T-shaped geometry to one Li(5), one Co(4), and one C(6) atom. In the seventeenth O site, O(17) is bonded in a 4-coordinate geometry to one Li(2), one Li(5), one Co(2), and one C(7) atom. In the eighteenth O site, O(18) is bonded in a 4-coordinate geometry to one Li(1), one Li(6), one Co(4), and one C(8) atom. In the nineteenth O site, O(19) is bonded in a distorted trigonal non-coplanar geometry to one Li(8), one Co(3), and one C(5) atom. In the twentieth O site, O(20) is bonded in a distorted trigonal non-coplanar geometry to one Li(7), one Co(1), and one C(6) atom. In the twenty-first O site, O(21) is bonded to one Li(4), one Li(8), one Co(1), and one C(7) atom to form a mixture of distorted corner and edge-sharing OLi2CoC trigonal pyramids. In the twenty-second O site, O(22) is bonded to one Li(3), one Li(7), one Co(3), and one C(8) atom to form a mixture of distorted corner and edge-sharing OLi2CoC trigonal pyramids. In the twenty-third O site, O(23) is bonded in a 3-coordinate geometry to one Li(6), one Co(1), and one C(7) atom. In the twenty-fourth O site, O(24) is bonded in a 3-coordinate geometry to one Li(5), one Co(3), and one C(8) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2Co(CO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.183
_cell_length_b   6.638
_cell_length_c   7.811
_cell_angle_alpha   89.778
_cell_angle_beta   89.887
_cell_angle_gamma   112.650
_symmetry_Int_Tables_number   1
_cell_volume   248.007
_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
  C  C0  1  0.703  0.861  0.741  1.0
  C  C1  1  0.805  0.648  0.244  1.0
  C  C2  1  0.203  0.352  0.760  1.0
  C  C3  1  0.305  0.143  0.264  1.0
  Co  Co4  1  0.005  0.005  0.002  1.0
  Co  Co5  1  0.504  0.500  0.505  1.0
  Li  Li6  1  0.188  0.829  0.559  1.0
  Li  Li7  1  0.358  0.750  0.081  1.0
  Li  Li8  1  0.864  0.264  0.417  1.0
  Li  Li9  1  0.649  0.245  0.918  1.0
  O  O10  1  0.962  0.881  0.743  1.0
  O  O11  1  0.601  0.905  0.883  1.0
  O  O12  1  0.552  0.805  0.605  1.0
  O  O13  1  0.959  0.707  0.108  1.0
  O  O14  1  0.905  0.603  0.387  1.0
  O  O15  1  0.545  0.625  0.246  1.0
  O  O16  1  0.463  0.374  0.760  1.0
  O  O17  1  0.103  0.387  0.616  1.0
  O  O18  1  0.447  0.185  0.405  1.0
  O  O19  1  0.052  0.303  0.898  1.0
  O  O20  1  0.411  0.103  0.122  1.0
  O  O21  1  0.049  0.130  0.259  1.0
[/CIF]
.
The material described by Li2Co(CO3)2 crystallizes in the triclinic P1 space group. There are eight inequivalent Li sites. In the first Li site, Li(1) is bonded in a 3-coordinate geometry to one O(10), one O(18), one O(2), and one O(5) atom. In the second Li site, Li(2) is bonded to one O(1), one O(17), one O(6), and one O(9) atom to form LiO4 tetrahedra that share  a cornercorner with one Co(3)O6 octahedra,  a cornercorner with one Co(4)O6 octahedra, corners with two equivalent Co(2)O6 octahedra, and corners with two equivalent Li(5)O4 trigonal pyramids. The corner-sharing octahedral tilt angles range from 40-75°. In the third Li site, Li(3) is bonded in a 4-coordinate geometry to one O(11), one O(22), one O(4), and one O(8) atom. In the fourth Li site, Li(4) is bonded in a 4-coordinate geometry to one O(12), one O(21), one O(3), and one O(7) atom. In the fifth Li site, Li(5) is bonded to one O(16), one O(17), one O(24), and one O(9) atom to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Co(3)O6 octahedra,  a cornercorner with one Co(4)O6 octahedra, corners with two equivalent Li(2)O4 tetrahedra, and  an edgeedge with one Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-79°. In the sixth Li site, Li(6) is bonded to one O(10), one O(15), one O(18), and one O(23) atom to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra, and  an edgeedge with one Co(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-78°. In the seventh Li site, Li(7) is bonded to one O(13), one O(20), one O(22), and one O(4) atom to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra, and  an edgeedge with one Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-82°. In the eighth Li site, Li(8) is bonded to one O(14), one O(19), one O(21), and one O(3) atom to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(4)O6 octahedra, and  an edgeedge with one Co(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-82°. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(2), one O(20), one O(21), one O(23), one O(4), and one O(7) atom to form distorted CoO6 octahedra that share  a cornercorner with one Li(6)O4 trigonal pyramid,  a cornercorner with one Li(8)O4 trigonal pyramid, and  an edgeedge with one Li(7)O4 trigonal pyramid. In the second Co site, Co(2) is bonded to one O(11), one O(13), one O(15), one O(17), one O(5), and one O(9) atom to form CoO6 octahedra that share corners with two equivalent Li(2)O4 tetrahedra,  a cornercorner with one Li(6)O4 trigonal pyramid,  a cornercorner with one Li(7)O4 trigonal pyramid, and  an edgeedge with one Li(5)O4 trigonal pyramid. In the third Co site, Co(3) is bonded to one O(1), one O(19), one O(22), one O(24), one O(3), and one O(8) atom to form distorted CoO6 octahedra that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(5)O4 trigonal pyramid,  a cornercorner with one Li(7)O4 trigonal pyramid, and  an edgeedge with one Li(8)O4 trigonal pyramid. In the fourth Co site, Co(4) is bonded to one O(10), one O(12), one O(14), one O(16), one O(18), and one O(6) atom to form CoO6 octahedra that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(5)O4 trigonal pyramid,  a cornercorner with one Li(8)O4 trigonal pyramid, and  an edgeedge with one Li(6)O4 trigonal pyramid. There are eight inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one O(1), one O(3), 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(4), and one O(6) atom. In the third C site, C(3) is bonded in a trigonal planar geometry to one O(11), one O(7), and one O(9) atom. In the fourth C site, C(4) is bonded in a trigonal planar geometry to one O(10), one O(12), and one O(8) atom. In the fifth C site, C(5) is bonded in a trigonal planar geometry to one O(13), one O(15), and one O(19) atom. In the sixth C site, C(6) is bonded in a trigonal planar geometry to one O(14), one O(16), and one O(20) atom. In the seventh C site, C(7) is bonded in a trigonal planar geometry to one O(17), one O(21), and one O(23) atom. In the eighth C site, C(8) is bonded in a trigonal planar geometry to one O(18), one O(22), and one O(24) atom. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(2), one Co(3), 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 to one Li(4), one Li(8), one Co(3), and one C(1) atom to form a mixture of distorted corner and edge-sharing OLi2CoC trigonal pyramids. In the fourth O site, O(4) is bonded to one Li(3), one Li(7), one Co(1), and one C(2) atom to form a mixture of distorted corner and edge-sharing OLi2CoC trigonal pyramids. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Co(2), and one C(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one Li(2), one Co(4), and one C(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Li(4), one Co(1), and one C(3) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Li(3), one Co(3), and one C(4) atom. In the ninth O site, O(9) is bonded in a distorted trigonal pyramidal geometry to one Li(2), one Li(5), one Co(2), and one C(3) atom. In the tenth O site, O(10) is bonded in a distorted trigonal pyramidal geometry to one Li(1), one Li(6), one Co(4), and one C(4) 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(3) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Li(4), one Co(4), and one C(4) atom. In the thirteenth O site, O(13) is bonded in a 3-coordinate geometry to one Li(7), one Co(2), and one C(5) atom. In the fourteenth O site, O(14) is bonded in a 3-coordinate geometry to one Li(8), one Co(4), and one C(6) atom. In the fifteenth O site, O(15) is bonded in a distorted T-shaped geometry to one Li(6), one Co(2), and one C(5) atom. In the sixteenth O site, O(16) is bonded in a distorted T-shaped geometry to one Li(5), one Co(4), and one C(6) atom. In the seventeenth O site, O(17) is bonded in a 4-coordinate geometry to one Li(2), one Li(5), one Co(2), and one C(7) atom. In the eighteenth O site, O(18) is bonded in a 4-coordinate geometry to one Li(1), one Li(6), one Co(4), and one C(8) atom. In the nineteenth O site, O(19) is bonded in a distorted trigonal non-coplanar geometry to one Li(8), one Co(3), and one C(5) atom. In the twentieth O site, O(20) is bonded in a distorted trigonal non-coplanar geometry to one Li(7), one Co(1), and one C(6) atom. In the twenty-first O site, O(21) is bonded to one Li(4), one Li(8), one Co(1), and one C(7) atom to form a mixture of distorted corner and edge-sharing OLi2CoC trigonal pyramids. In the twenty-second O site, O(22) is bonded to one Li(3), one Li(7), one Co(3), and one C(8) atom to form a mixture of distorted corner and edge-sharing OLi2CoC trigonal pyramids. In the twenty-third O site, O(23) is bonded in a 3-coordinate geometry to one Li(6), one Co(1), and one C(7) atom. In the twenty-fourth O site, O(24) is bonded in a 3-coordinate geometry to one Li(5), one Co(3), and one C(8) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2Co(CO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.183
_cell_length_b   6.638
_cell_length_c   7.811
_cell_angle_alpha   89.778
_cell_angle_beta   89.887
_cell_angle_gamma   112.650
_symmetry_Int_Tables_number   1
_cell_volume   248.007
_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
  C  C0  1  0.703  0.861  0.741  1.0
  C  C1  1  0.805  0.648  0.244  1.0
  C  C2  1  0.203  0.352  0.760  1.0
  C  C3  1  0.305  0.143  0.264  1.0
  Co  Co4  1  0.005  0.005  0.002  1.0
  Co  Co5  1  0.504  0.500  0.505  1.0
  Li  Li6  1  0.188  0.829  0.559  1.0
  Li  Li7  1  0.358  0.750  0.081  1.0
  Li  Li8  1  0.864  0.264  0.417  1.0
  Li  Li9  1  0.649  0.245  0.918  1.0
  O  O10  1  0.962  0.881  0.743  1.0
  O  O11  1  0.601  0.905  0.883  1.0
  O  O12  1  0.552  0.805  0.605  1.0
  O  O13  1  0.959  0.707  0.108  1.0
  O  O14  1  0.905  0.603  0.387  1.0
  O  O15  1  0.545  0.625  0.246  1.0
  O  O16  1  0.463  0.374  0.760  1.0
  O  O17  1  0.103  0.387  0.616  1.0
  O  O18  1  0.447  0.185  0.405  1.0
  O  O19  1  0.052  0.303  0.898  1.0
  O  O20  1  0.411  0.103  0.122  1.0
  O  O21  1  0.049  0.130  0.259  1.0
[/CIF]
.