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 5-coordinate geometry to one O(1), one O(24), one O(5), one O(7), and one O(9) atom. In the second Li site, Li(2) is bonded in a 5-coordinate geometry to one O(10), one O(2), one O(23), one O(6), and one O(8) atom. In the third Li site, Li(3) is bonded in a 5-coordinate geometry to one O(12), one O(13), one O(4), one O(5), and one O(8) atom. In the fourth Li site, Li(4) is bonded in a 5-coordinate geometry to one O(11), one O(14), one O(3), one O(6), and one O(7) atom. In the fifth Li site, Li(5) is bonded in a 3-coordinate geometry to one O(15), one O(17), and one O(19) atom. In the sixth Li site, Li(6) is bonded in a 3-coordinate geometry to one O(16), one O(18), and one O(20) atom. In the seventh Li site, Li(7) is bonded in a 4-coordinate geometry to one O(17), one O(19), one O(2), and one O(21) atom. In the eighth Li site, Li(8) is bonded in a 4-coordinate geometry to one O(1), one O(18), one O(20), and one O(22) atom. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded in a 6-coordinate geometry to one O(10), one O(12), one O(14), one O(18), one O(20), and one O(6) atom. In the second Co site, Co(2) is bonded in a distorted trigonal bipyramidal geometry to one O(1), one O(16), one O(23), one O(4), and one O(8) atom. In the third Co site, Co(3) is bonded in a 6-coordinate geometry to one O(11), one O(13), one O(17), one O(19), one O(5), and one O(9) atom. In the fourth Co site, Co(4) is bonded in a distorted trigonal bipyramidal geometry to one O(15), one O(2), one O(24), one O(3), and one O(7) atom. 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(5), and one O(9) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(10), 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(11), one O(3), 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(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(15), and one O(22) 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(21) atom. In the seventh C site, C(7) is bonded in a trigonal planar geometry to one O(17), one O(19), 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(20), and one O(24) atom. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal pyramidal geometry to one Li(1), one Li(8), one Co(2), and one C(1) atom. In the second O site, O(2) is bonded in a distorted trigonal pyramidal geometry to one Li(2), one Li(7), one Co(4), and one C(2) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Li(4), one Co(4), and one C(3) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Li(3), one Co(2), and one C(4) atom. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(3), one Co(3), and one C(1) atom. In the sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Li(4), one Co(1), and one C(2) atom. In the seventh O site, O(7) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(4), one Co(4), and one C(3) atom. In the eighth O site, O(8) is bonded in a 4-coordinate 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(1), one Co(3), and one C(1) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Li(2), one Co(1), and one C(2) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Li(4), one Co(3), and one C(3) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Li(3), one Co(1), and one C(4) atom. In the thirteenth O site, O(13) is bonded in a 3-coordinate geometry to one Li(3), one Co(3), 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(1), and one C(6) atom. In the fifteenth O site, O(15) is bonded in a distorted trigonal planar geometry to one Li(5), one Co(4), and one C(5) atom. In the sixteenth O site, O(16) is bonded in a distorted trigonal planar geometry to one Li(6), one Co(2), and one C(6) atom. In the seventeenth O site, O(17) is bonded in a 4-coordinate geometry to one Li(5), one Li(7), one Co(3), and one C(7) atom. In the eighteenth O site, O(18) is bonded in a 4-coordinate geometry to one Li(6), one Li(8), one Co(1), and one C(8) atom. In the nineteenth O site, O(19) is bonded in a distorted square co-planar geometry to one Li(5), one Li(7), one Co(3), and one C(7) atom. In the twentieth O site, O(20) is bonded in a distorted square co-planar geometry to one Li(6), one Li(8), one Co(1), and one C(8) atom. In the twenty-first O site, O(21) is bonded in a bent 120 degrees geometry to one Li(7) and one C(6) atom. In the twenty-second O site, O(22) is bonded in a bent 120 degrees geometry to one Li(8) and one C(5) atom. In the twenty-third O site, O(23) is bonded in a 3-coordinate geometry to one Li(2), one Co(2), and one C(7) atom. In the twenty-fourth O site, O(24) is bonded in a 3-coordinate geometry to one Li(1), one Co(4), 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   5.223
_cell_length_b   6.406
_cell_length_c   8.231
_cell_angle_alpha   83.801
_cell_angle_beta   80.265
_cell_angle_gamma   66.848
_symmetry_Int_Tables_number   1
_cell_volume   249.321
_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  0.364  0.593  0.787  1.0
  C  C1  1  0.894  0.103  0.715  1.0
  C  C2  1  0.647  0.911  0.289  1.0
  C  C3  1  0.786  0.393  0.202  1.0
  Co  Co4  1  0.636  0.505  0.500  1.0
  Co  Co5  1  0.001  0.968  0.002  1.0
  Li  Li6  1  0.964  0.466  0.841  1.0
  Li  Li7  1  0.522  0.967  0.659  1.0
  Li  Li8  1  0.125  0.627  0.363  1.0
  Li  Li9  1  0.344  0.328  0.126  1.0
  O  O10  1  0.227  0.615  0.936  1.0
  O  O11  1  0.741  0.020  0.822  1.0
  O  O12  1  0.608  0.608  0.751  1.0
  O  O13  1  0.121  0.104  0.764  1.0
  O  O14  1  0.258  0.553  0.667  1.0
  O  O15  1  0.825  0.176  0.572  1.0
  O  O16  1  0.603  0.828  0.441  1.0
  O  O17  1  0.911  0.878  0.234  1.0
  O  O18  1  0.965  0.424  0.275  1.0
  O  O19  1  0.530  0.441  0.280  1.0
  O  O20  1  0.454  0.011  0.202  1.0
  O  O21  1  0.852  0.314  0.056  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 5-coordinate geometry to one O(1), one O(24), one O(5), one O(7), and one O(9) atom. In the second Li site, Li(2) is bonded in a 5-coordinate geometry to one O(10), one O(2), one O(23), one O(6), and one O(8) atom. In the third Li site, Li(3) is bonded in a 5-coordinate geometry to one O(12), one O(13), one O(4), one O(5), and one O(8) atom. In the fourth Li site, Li(4) is bonded in a 5-coordinate geometry to one O(11), one O(14), one O(3), one O(6), and one O(7) atom. In the fifth Li site, Li(5) is bonded in a 3-coordinate geometry to one O(15), one O(17), and one O(19) atom. In the sixth Li site, Li(6) is bonded in a 3-coordinate geometry to one O(16), one O(18), and one O(20) atom. In the seventh Li site, Li(7) is bonded in a 4-coordinate geometry to one O(17), one O(19), one O(2), and one O(21) atom. In the eighth Li site, Li(8) is bonded in a 4-coordinate geometry to one O(1), one O(18), one O(20), and one O(22) atom. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded in a 6-coordinate geometry to one O(10), one O(12), one O(14), one O(18), one O(20), and one O(6) atom. In the second Co site, Co(2) is bonded in a distorted trigonal bipyramidal geometry to one O(1), one O(16), one O(23), one O(4), and one O(8) atom. In the third Co site, Co(3) is bonded in a 6-coordinate geometry to one O(11), one O(13), one O(17), one O(19), one O(5), and one O(9) atom. In the fourth Co site, Co(4) is bonded in a distorted trigonal bipyramidal geometry to one O(15), one O(2), one O(24), one O(3), and one O(7) atom. 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(5), and one O(9) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(10), 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(11), one O(3), 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(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(15), and one O(22) 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(21) atom. In the seventh C site, C(7) is bonded in a trigonal planar geometry to one O(17), one O(19), 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(20), and one O(24) atom. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal pyramidal geometry to one Li(1), one Li(8), one Co(2), and one C(1) atom. In the second O site, O(2) is bonded in a distorted trigonal pyramidal geometry to one Li(2), one Li(7), one Co(4), and one C(2) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Li(4), one Co(4), and one C(3) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Li(3), one Co(2), and one C(4) atom. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(3), one Co(3), and one C(1) atom. In the sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Li(4), one Co(1), and one C(2) atom. In the seventh O site, O(7) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(4), one Co(4), and one C(3) atom. In the eighth O site, O(8) is bonded in a 4-coordinate 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(1), one Co(3), and one C(1) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Li(2), one Co(1), and one C(2) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Li(4), one Co(3), and one C(3) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Li(3), one Co(1), and one C(4) atom. In the thirteenth O site, O(13) is bonded in a 3-coordinate geometry to one Li(3), one Co(3), 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(1), and one C(6) atom. In the fifteenth O site, O(15) is bonded in a distorted trigonal planar geometry to one Li(5), one Co(4), and one C(5) atom. In the sixteenth O site, O(16) is bonded in a distorted trigonal planar geometry to one Li(6), one Co(2), and one C(6) atom. In the seventeenth O site, O(17) is bonded in a 4-coordinate geometry to one Li(5), one Li(7), one Co(3), and one C(7) atom. In the eighteenth O site, O(18) is bonded in a 4-coordinate geometry to one Li(6), one Li(8), one Co(1), and one C(8) atom. In the nineteenth O site, O(19) is bonded in a distorted square co-planar geometry to one Li(5), one Li(7), one Co(3), and one C(7) atom. In the twentieth O site, O(20) is bonded in a distorted square co-planar geometry to one Li(6), one Li(8), one Co(1), and one C(8) atom. In the twenty-first O site, O(21) is bonded in a bent 120 degrees geometry to one Li(7) and one C(6) atom. In the twenty-second O site, O(22) is bonded in a bent 120 degrees geometry to one Li(8) and one C(5) atom. In the twenty-third O site, O(23) is bonded in a 3-coordinate geometry to one Li(2), one Co(2), and one C(7) atom. In the twenty-fourth O site, O(24) is bonded in a 3-coordinate geometry to one Li(1), one Co(4), 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   5.223
_cell_length_b   6.406
_cell_length_c   8.231
_cell_angle_alpha   83.801
_cell_angle_beta   80.265
_cell_angle_gamma   66.848
_symmetry_Int_Tables_number   1
_cell_volume   249.321
_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  0.364  0.593  0.787  1.0
  C  C1  1  0.894  0.103  0.715  1.0
  C  C2  1  0.647  0.911  0.289  1.0
  C  C3  1  0.786  0.393  0.202  1.0
  Co  Co4  1  0.636  0.505  0.500  1.0
  Co  Co5  1  0.001  0.968  0.002  1.0
  Li  Li6  1  0.964  0.466  0.841  1.0
  Li  Li7  1  0.522  0.967  0.659  1.0
  Li  Li8  1  0.125  0.627  0.363  1.0
  Li  Li9  1  0.344  0.328  0.126  1.0
  O  O10  1  0.227  0.615  0.936  1.0
  O  O11  1  0.741  0.020  0.822  1.0
  O  O12  1  0.608  0.608  0.751  1.0
  O  O13  1  0.121  0.104  0.764  1.0
  O  O14  1  0.258  0.553  0.667  1.0
  O  O15  1  0.825  0.176  0.572  1.0
  O  O16  1  0.603  0.828  0.441  1.0
  O  O17  1  0.911  0.878  0.234  1.0
  O  O18  1  0.965  0.424  0.275  1.0
  O  O19  1  0.530  0.441  0.280  1.0
  O  O20  1  0.454  0.011  0.202  1.0
  O  O21  1  0.852  0.314  0.056  1.0
[/CIF]
.