The material described by LiCo(CO3)2 crystallizes in the triclinic P1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(16), one O(17), and one O(23) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(4)O6 octahedra, and  an edgeedge with one Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 35-74°. In the second Li site, Li(2) is bonded in a trigonal non-coplanar geometry to one O(18), one O(24), and one O(7) atom. In the third Li site, Li(3) is bonded to one O(13), one O(19), one O(21), and one O(3) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Co(3)O6 octahedra,  a cornercorner with one Co(4)O6 octahedra, and  an edgeedge with one Co(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 30-74°. In the fourth Li site, Li(4) is bonded to one O(14), one O(20), one O(22), and one O(6) atom to form LiO4 tetrahedra that share  a cornercorner with one Co(1)O6 octahedra and corners with three equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 39-72°. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(11), one O(16), one O(17), one O(22), and one O(8) atom to form distorted CoO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra, and  an edgeedge with one Li(1)O4 tetrahedra. In the second Co site, Co(2) is bonded to one O(10), one O(14), one O(20), one O(24), one O(4), and one O(6) atom to form CoO6 octahedra that share corners with three equivalent Li(4)O4 tetrahedra. In the third Co site, Co(3) is bonded to one O(12), one O(15), one O(18), one O(2), one O(21), and one O(7) atom to form CoO6 octahedra that share  a cornercorner with one Li(3)O4 tetrahedra. In the fourth Co site, Co(4) is bonded to one O(13), one O(19), one O(23), one O(3), one O(5), and one O(9) atom to form distorted CoO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra, and  an edgeedge with one Li(3)O4 tetrahedra. 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(11), and one O(5) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(12), one O(2), and one O(6) atom. In the third C site, C(3) is bonded in a trigonal planar geometry to one O(3), 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(4), 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(17), and one O(23) atom. In the sixth C site, C(6) is bonded in a trigonal planar geometry to one O(14), one O(18), and one O(24) atom. In the seventh C site, C(7) is bonded in a trigonal planar geometry to one O(15), one O(19), and one O(21) atom. In the eighth C site, C(8) is bonded in a trigonal planar geometry to one O(16), one O(20), and one O(22) atom. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Li(1), one Co(1), and one C(1) atom. In the second O site, O(2) is bonded in an L-shaped geometry to one Co(3) and one C(2) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Li(3), one Co(4), and one C(3) atom. In the fourth O site, O(4) is bonded in an L-shaped geometry to one Co(2) and one C(4) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Co(4) and one C(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Li(4), 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(2), one Co(3), and one C(3) atom. In the eighth O site, O(8) is bonded in a bent 120 degrees geometry to one Co(1) and one C(4) atom. In the ninth O site, O(9) is bonded in an L-shaped geometry to one Co(4) and one C(3) atom. In the tenth O site, O(10) is bonded in an L-shaped geometry to one Co(2) and one C(4) atom. In the eleventh O site, O(11) is bonded in an L-shaped geometry to one Co(1) and one C(1) atom. In the twelfth O site, O(12) is bonded in an L-shaped geometry to one Co(3) and one C(2) atom. In the thirteenth O site, O(13) is bonded in a distorted T-shaped geometry to one Li(3), one Co(4), and one C(5) atom. In the fourteenth O site, O(14) is bonded in a 3-coordinate geometry to one Li(4), one Co(2), and one C(6) atom. In the fifteenth O site, O(15) is bonded in an L-shaped geometry to one Co(3) and one C(7) atom. In the sixteenth O site, O(16) is bonded in a distorted T-shaped geometry to one Li(1), one Co(1), and one C(8) atom. In the seventeenth O site, O(17) is bonded in a distorted trigonal planar geometry to one Li(1), one Co(1), and one C(5) atom. In the eighteenth O site, O(18) is bonded in a distorted trigonal planar geometry to one Li(2), one Co(3), and one C(6) atom. In the nineteenth O site, O(19) is bonded in a distorted trigonal planar geometry to one Li(3), one Co(4), and one C(7) atom. In the twentieth O site, O(20) is bonded in a distorted trigonal planar geometry to one Li(4), one Co(2), and one C(8) atom. In the twenty-first O site, O(21) is bonded in a 3-coordinate geometry to one Li(3), one Co(3), and one C(7) atom. In the twenty-second O site, O(22) is bonded in a 3-coordinate geometry to one Li(4), one Co(1), and one C(8) atom. In the twenty-third O site, O(23) is bonded in a 3-coordinate geometry to one Li(1), one Co(4), and one C(5) atom. In the twenty-fourth O site, O(24) is bonded in a 3-coordinate geometry to one Li(2), one Co(2), and one C(6) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiCo(CO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.174
_cell_length_b   6.627
_cell_length_c   15.527
_cell_angle_alpha   90.301
_cell_angle_beta   89.342
_cell_angle_gamma   113.438
_symmetry_Int_Tables_number   1
_cell_volume   488.439
_cell_formula_units_Z   4
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  0.412  0.754  0.040  1.0
  Li  Li1  1  0.372  0.599  0.535  1.0
  Li  Li2  1  0.586  0.776  0.289  1.0
  Li  Li3  1  0.647  0.863  0.779  1.0
  Co  Co4  1  0.012  0.015  0.998  1.0
  Co  Co5  1  0.989  0.481  0.750  1.0
  Co  Co6  1  0.014  0.012  0.496  1.0
  Co  Co7  1  0.976  0.490  0.248  1.0
  C  C8  1  0.873  0.139  0.130  1.0
  C  C9  1  0.884  0.109  0.629  1.0
  C  C10  1  0.131  0.390  0.382  1.0
  C  C11  1  0.101  0.359  0.878  1.0
  C  C12  1  0.868  0.657  0.119  1.0
  C  C13  1  0.865  0.618  0.623  1.0
  C  C14  1  0.129  0.870  0.368  1.0
  C  C15  1  0.148  0.860  0.871  1.0
  O  O16  1  0.695  0.075  0.068  1.0
  O  O17  1  0.728  0.069  0.560  1.0
  O  O18  1  0.302  0.454  0.315  1.0
  O  O19  1  0.262  0.400  0.810  1.0
  O  O20  1  0.804  0.199  0.204  1.0
  O  O21  1  0.805  0.145  0.703  1.0
  O  O22  1  0.211  0.343  0.454  1.0
  O  O23  1  0.171  0.306  0.951  1.0
  O  O24  1  0.881  0.385  0.370  1.0
  O  O25  1  0.867  0.384  0.866  1.0
  O  O26  1  0.117  0.134  0.117  1.0
  O  O27  1  0.128  0.100  0.613  1.0
  O  O28  1  0.722  0.625  0.190  1.0
  O  O29  1  0.728  0.588  0.697  1.0
  O  O30  1  0.278  0.912  0.439  1.0
  O  O31  1  0.283  0.896  0.944  1.0
  O  O32  1  0.784  0.716  0.049  1.0
  O  O33  1  0.779  0.671  0.554  1.0
  O  O34  1  0.207  0.810  0.298  1.0
  O  O35  1  0.242  0.803  0.802  1.0
  O  O36  1  0.895  0.901  0.377  1.0
  O  O37  1  0.914  0.892  0.874  1.0
  O  O38  1  0.095  0.620  0.122  1.0
  O  O39  1  0.096  0.581  0.629  1.0
[/CIF]
.
The material described by LiCo(CO3)2 crystallizes in the triclinic P1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(16), one O(17), and one O(23) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(4)O6 octahedra, and  an edgeedge with one Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 35-74°. In the second Li site, Li(2) is bonded in a trigonal non-coplanar geometry to one O(18), one O(24), and one O(7) atom. In the third Li site, Li(3) is bonded to one O(13), one O(19), one O(21), and one O(3) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Co(3)O6 octahedra,  a cornercorner with one Co(4)O6 octahedra, and  an edgeedge with one Co(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 30-74°. In the fourth Li site, Li(4) is bonded to one O(14), one O(20), one O(22), and one O(6) atom to form LiO4 tetrahedra that share  a cornercorner with one Co(1)O6 octahedra and corners with three equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 39-72°. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(11), one O(16), one O(17), one O(22), and one O(8) atom to form distorted CoO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra, and  an edgeedge with one Li(1)O4 tetrahedra. In the second Co site, Co(2) is bonded to one O(10), one O(14), one O(20), one O(24), one O(4), and one O(6) atom to form CoO6 octahedra that share corners with three equivalent Li(4)O4 tetrahedra. In the third Co site, Co(3) is bonded to one O(12), one O(15), one O(18), one O(2), one O(21), and one O(7) atom to form CoO6 octahedra that share  a cornercorner with one Li(3)O4 tetrahedra. In the fourth Co site, Co(4) is bonded to one O(13), one O(19), one O(23), one O(3), one O(5), and one O(9) atom to form distorted CoO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra, and  an edgeedge with one Li(3)O4 tetrahedra. 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(11), and one O(5) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(12), one O(2), and one O(6) atom. In the third C site, C(3) is bonded in a trigonal planar geometry to one O(3), 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(4), 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(17), and one O(23) atom. In the sixth C site, C(6) is bonded in a trigonal planar geometry to one O(14), one O(18), and one O(24) atom. In the seventh C site, C(7) is bonded in a trigonal planar geometry to one O(15), one O(19), and one O(21) atom. In the eighth C site, C(8) is bonded in a trigonal planar geometry to one O(16), one O(20), and one O(22) atom. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Li(1), one Co(1), and one C(1) atom. In the second O site, O(2) is bonded in an L-shaped geometry to one Co(3) and one C(2) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Li(3), one Co(4), and one C(3) atom. In the fourth O site, O(4) is bonded in an L-shaped geometry to one Co(2) and one C(4) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Co(4) and one C(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Li(4), 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(2), one Co(3), and one C(3) atom. In the eighth O site, O(8) is bonded in a bent 120 degrees geometry to one Co(1) and one C(4) atom. In the ninth O site, O(9) is bonded in an L-shaped geometry to one Co(4) and one C(3) atom. In the tenth O site, O(10) is bonded in an L-shaped geometry to one Co(2) and one C(4) atom. In the eleventh O site, O(11) is bonded in an L-shaped geometry to one Co(1) and one C(1) atom. In the twelfth O site, O(12) is bonded in an L-shaped geometry to one Co(3) and one C(2) atom. In the thirteenth O site, O(13) is bonded in a distorted T-shaped geometry to one Li(3), one Co(4), and one C(5) atom. In the fourteenth O site, O(14) is bonded in a 3-coordinate geometry to one Li(4), one Co(2), and one C(6) atom. In the fifteenth O site, O(15) is bonded in an L-shaped geometry to one Co(3) and one C(7) atom. In the sixteenth O site, O(16) is bonded in a distorted T-shaped geometry to one Li(1), one Co(1), and one C(8) atom. In the seventeenth O site, O(17) is bonded in a distorted trigonal planar geometry to one Li(1), one Co(1), and one C(5) atom. In the eighteenth O site, O(18) is bonded in a distorted trigonal planar geometry to one Li(2), one Co(3), and one C(6) atom. In the nineteenth O site, O(19) is bonded in a distorted trigonal planar geometry to one Li(3), one Co(4), and one C(7) atom. In the twentieth O site, O(20) is bonded in a distorted trigonal planar geometry to one Li(4), one Co(2), and one C(8) atom. In the twenty-first O site, O(21) is bonded in a 3-coordinate geometry to one Li(3), one Co(3), and one C(7) atom. In the twenty-second O site, O(22) is bonded in a 3-coordinate geometry to one Li(4), one Co(1), and one C(8) atom. In the twenty-third O site, O(23) is bonded in a 3-coordinate geometry to one Li(1), one Co(4), and one C(5) atom. In the twenty-fourth O site, O(24) is bonded in a 3-coordinate geometry to one Li(2), one Co(2), and one C(6) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiCo(CO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.174
_cell_length_b   6.627
_cell_length_c   15.527
_cell_angle_alpha   90.301
_cell_angle_beta   89.342
_cell_angle_gamma   113.438
_symmetry_Int_Tables_number   1
_cell_volume   488.439
_cell_formula_units_Z   4
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  0.412  0.754  0.040  1.0
  Li  Li1  1  0.372  0.599  0.535  1.0
  Li  Li2  1  0.586  0.776  0.289  1.0
  Li  Li3  1  0.647  0.863  0.779  1.0
  Co  Co4  1  0.012  0.015  0.998  1.0
  Co  Co5  1  0.989  0.481  0.750  1.0
  Co  Co6  1  0.014  0.012  0.496  1.0
  Co  Co7  1  0.976  0.490  0.248  1.0
  C  C8  1  0.873  0.139  0.130  1.0
  C  C9  1  0.884  0.109  0.629  1.0
  C  C10  1  0.131  0.390  0.382  1.0
  C  C11  1  0.101  0.359  0.878  1.0
  C  C12  1  0.868  0.657  0.119  1.0
  C  C13  1  0.865  0.618  0.623  1.0
  C  C14  1  0.129  0.870  0.368  1.0
  C  C15  1  0.148  0.860  0.871  1.0
  O  O16  1  0.695  0.075  0.068  1.0
  O  O17  1  0.728  0.069  0.560  1.0
  O  O18  1  0.302  0.454  0.315  1.0
  O  O19  1  0.262  0.400  0.810  1.0
  O  O20  1  0.804  0.199  0.204  1.0
  O  O21  1  0.805  0.145  0.703  1.0
  O  O22  1  0.211  0.343  0.454  1.0
  O  O23  1  0.171  0.306  0.951  1.0
  O  O24  1  0.881  0.385  0.370  1.0
  O  O25  1  0.867  0.384  0.866  1.0
  O  O26  1  0.117  0.134  0.117  1.0
  O  O27  1  0.128  0.100  0.613  1.0
  O  O28  1  0.722  0.625  0.190  1.0
  O  O29  1  0.728  0.588  0.697  1.0
  O  O30  1  0.278  0.912  0.439  1.0
  O  O31  1  0.283  0.896  0.944  1.0
  O  O32  1  0.784  0.716  0.049  1.0
  O  O33  1  0.779  0.671  0.554  1.0
  O  O34  1  0.207  0.810  0.298  1.0
  O  O35  1  0.242  0.803  0.802  1.0
  O  O36  1  0.895  0.901  0.377  1.0
  O  O37  1  0.914  0.892  0.874  1.0
  O  O38  1  0.095  0.620  0.122  1.0
  O  O39  1  0.096  0.581  0.629  1.0
[/CIF]
.