The material described by Li3Co2(CO3)4 crystallizes in the monoclinic P2_1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a rectangular see-saw-like geometry to one O(10), one O(3), one O(8), and one O(9) atom. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one O(1), one O(12), one O(5), and one O(6) atom. In the third Li site, Li(3) is bonded in a rectangular see-saw-like geometry to one O(11), one O(12), one O(6), and one O(7) atom. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a distorted trigonal bipyramidal geometry to one O(1), one O(12), one O(5), one O(7), and one O(8) atom. In the second Co site, Co(2) is bonded in a distorted trigonal bipyramidal geometry to one O(10), one O(11), one O(2), one O(4), and one O(9) atom. 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(3) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(4), one O(5), and one O(6) atom. In the third C site, C(3) is bonded in a trigonal planar geometry to one O(7), one O(8), 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(11), and one O(12) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a trigonal non-coplanar geometry to one Li(2), one Co(1), and one C(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Co(2) and one C(1) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Li(1) and one C(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Co(2) and one C(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Li(2), one Co(1), and one C(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Li(2), one Li(3), and one C(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Li(3), one Co(1), and one C(3) atom. In the eighth O site, O(8) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Co(1), and one C(3) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Li(1), one Co(2), and one C(3) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Li(1), one Co(2), and one C(4) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal non-coplanar geometry to one Li(3), one Co(2), and one C(4) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal pyramidal geometry to one Li(2), one Li(3), one Co(1), and one C(4) atom. is represented by the CIF card [CIF]
data_Li3Co2(CO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.719
_cell_length_b   7.035
_cell_length_c   8.579
_cell_angle_alpha   69.677
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   550.011
_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
  Li  Li0  1  0.605  0.748  0.599  1.0
  Li  Li1  1  0.181  0.320  0.816  1.0
  Li  Li2  1  0.885  0.252  0.093  1.0
  Li  Li3  1  0.105  0.252  0.401  1.0
  Li  Li4  1  0.385  0.748  0.907  1.0
  Li  Li5  1  0.681  0.680  0.184  1.0
  Co  Co6  1  0.140  0.805  0.675  1.0
  Co  Co7  1  0.640  0.195  0.325  1.0
  Co  Co8  1  0.368  0.296  0.196  1.0
  Co  Co9  1  0.868  0.704  0.804  1.0
  C  C10  1  0.985  0.484  0.602  1.0
  C  C11  1  0.520  0.976  0.119  1.0
  C  C12  1  0.385  0.991  0.526  1.0
  C  C13  1  0.885  0.009  0.474  1.0
  C  C14  1  0.114  0.489  0.027  1.0
  C  C15  1  0.614  0.511  0.973  1.0
  C  C16  1  0.485  0.516  0.398  1.0
  C  C17  1  0.020  0.024  0.881  1.0
  O  O18  1  0.106  0.554  0.626  1.0
  O  O19  1  0.878  0.523  0.683  1.0
  O  O20  1  0.472  0.623  0.486  1.0
  O  O21  1  0.412  0.093  0.107  1.0
  O  O22  1  0.627  0.993  0.203  1.0
  O  O23  1  0.018  0.158  0.950  1.0
  O  O24  1  0.344  0.859  0.665  1.0
  O  O25  1  0.015  0.976  0.497  1.0
  O  O26  1  0.794  0.913  0.585  1.0
  O  O27  1  0.294  0.087  0.415  1.0
  O  O28  1  0.515  0.024  0.503  1.0
  O  O29  1  0.844  0.141  0.335  1.0
  O  O30  1  0.165  0.356  0.163  1.0
  O  O31  1  0.483  0.487  0.984  1.0
  O  O32  1  0.699  0.419  0.091  1.0
  O  O33  1  0.199  0.581  0.909  1.0
  O  O34  1  0.983  0.513  0.016  1.0
  O  O35  1  0.665  0.644  0.837  1.0
  O  O36  1  0.972  0.377  0.514  1.0
  O  O37  1  0.378  0.477  0.317  1.0
  O  O38  1  0.606  0.446  0.374  1.0
  O  O39  1  0.518  0.842  0.050  1.0
  O  O40  1  0.127  0.007  0.797  1.0
  O  O41  1  0.912  0.907  0.893  1.0
[/CIF]
.
The material described by Li3Co2(CO3)4 crystallizes in the monoclinic P2_1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a rectangular see-saw-like geometry to one O(10), one O(3), one O(8), and one O(9) atom. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one O(1), one O(12), one O(5), and one O(6) atom. In the third Li site, Li(3) is bonded in a rectangular see-saw-like geometry to one O(11), one O(12), one O(6), and one O(7) atom. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a distorted trigonal bipyramidal geometry to one O(1), one O(12), one O(5), one O(7), and one O(8) atom. In the second Co site, Co(2) is bonded in a distorted trigonal bipyramidal geometry to one O(10), one O(11), one O(2), one O(4), and one O(9) atom. 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(3) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(4), one O(5), and one O(6) atom. In the third C site, C(3) is bonded in a trigonal planar geometry to one O(7), one O(8), 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(11), and one O(12) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a trigonal non-coplanar geometry to one Li(2), one Co(1), and one C(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Co(2) and one C(1) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Li(1) and one C(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Co(2) and one C(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Li(2), one Co(1), and one C(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Li(2), one Li(3), and one C(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Li(3), one Co(1), and one C(3) atom. In the eighth O site, O(8) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Co(1), and one C(3) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Li(1), one Co(2), and one C(3) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Li(1), one Co(2), and one C(4) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal non-coplanar geometry to one Li(3), one Co(2), and one C(4) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal pyramidal geometry to one Li(2), one Li(3), one Co(1), and one C(4) atom. is represented by the CIF card [CIF]
data_Li3Co2(CO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.719
_cell_length_b   7.035
_cell_length_c   8.579
_cell_angle_alpha   69.677
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   550.011
_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
  Li  Li0  1  0.605  0.748  0.599  1.0
  Li  Li1  1  0.181  0.320  0.816  1.0
  Li  Li2  1  0.885  0.252  0.093  1.0
  Li  Li3  1  0.105  0.252  0.401  1.0
  Li  Li4  1  0.385  0.748  0.907  1.0
  Li  Li5  1  0.681  0.680  0.184  1.0
  Co  Co6  1  0.140  0.805  0.675  1.0
  Co  Co7  1  0.640  0.195  0.325  1.0
  Co  Co8  1  0.368  0.296  0.196  1.0
  Co  Co9  1  0.868  0.704  0.804  1.0
  C  C10  1  0.985  0.484  0.602  1.0
  C  C11  1  0.520  0.976  0.119  1.0
  C  C12  1  0.385  0.991  0.526  1.0
  C  C13  1  0.885  0.009  0.474  1.0
  C  C14  1  0.114  0.489  0.027  1.0
  C  C15  1  0.614  0.511  0.973  1.0
  C  C16  1  0.485  0.516  0.398  1.0
  C  C17  1  0.020  0.024  0.881  1.0
  O  O18  1  0.106  0.554  0.626  1.0
  O  O19  1  0.878  0.523  0.683  1.0
  O  O20  1  0.472  0.623  0.486  1.0
  O  O21  1  0.412  0.093  0.107  1.0
  O  O22  1  0.627  0.993  0.203  1.0
  O  O23  1  0.018  0.158  0.950  1.0
  O  O24  1  0.344  0.859  0.665  1.0
  O  O25  1  0.015  0.976  0.497  1.0
  O  O26  1  0.794  0.913  0.585  1.0
  O  O27  1  0.294  0.087  0.415  1.0
  O  O28  1  0.515  0.024  0.503  1.0
  O  O29  1  0.844  0.141  0.335  1.0
  O  O30  1  0.165  0.356  0.163  1.0
  O  O31  1  0.483  0.487  0.984  1.0
  O  O32  1  0.699  0.419  0.091  1.0
  O  O33  1  0.199  0.581  0.909  1.0
  O  O34  1  0.983  0.513  0.016  1.0
  O  O35  1  0.665  0.644  0.837  1.0
  O  O36  1  0.972  0.377  0.514  1.0
  O  O37  1  0.378  0.477  0.317  1.0
  O  O38  1  0.606  0.446  0.374  1.0
  O  O39  1  0.518  0.842  0.050  1.0
  O  O40  1  0.127  0.007  0.797  1.0
  O  O41  1  0.912  0.907  0.893  1.0
[/CIF]
.