The structure described by Li3Ni2(CO3)4 crystallizes in the triclinic P1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a 5-coordinate geometry to one O(1), one O(12), one O(3), one O(5), and one O(8) atom. In the second Li site, Li(2) is bonded in a 5-coordinate geometry to one O(1), one O(10), one O(12), one O(5), and one O(8) atom. In the third Li site, Li(3) is bonded to one O(11), one O(2), one O(6), one O(7), and one O(9) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one Ni(1)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra, and  an edgeedge with one Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 35-72°. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(1), one O(12), one O(4), one O(5), one O(8), and one O(9) atom to form NiO6 octahedra that share  a cornercorner with one Li(3)O5 trigonal bipyramid. In the second Ni site, Ni(2) is bonded to one O(10), one O(11), one O(2), one O(3), one O(6), and one O(7) atom to form NiO6 octahedra that share corners with two equivalent Li(3)O5 trigonal bipyramids and  an edgeedge with one Li(3)O5 trigonal bipyramid. 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(4) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(10), one O(7), and one O(8) atom. In the third C site, C(3) is bonded in a trigonal planar geometry to one O(3), one O(5), and one O(6) atom. In the fourth C site, C(4) is bonded in a trigonal planar geometry to one O(11), one O(12), and one O(9) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), one Ni(1), and one C(1) atom to form a mixture of distorted edge and corner-sharing OLi2NiC trigonal pyramids. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Li(3), one Ni(2), and one C(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(1), one Ni(2), and one C(3) atom. In the fourth O site, O(4) is bonded in an L-shaped geometry to one Ni(1) and one C(1) atom. In the fifth O site, O(5) is bonded to one Li(1), one Li(2), one Ni(1), and one C(3) atom to form a mixture of distorted edge and corner-sharing OLi2NiC tetrahedra. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Li(3), one Ni(2), and one C(3) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Li(3), one Ni(2), and one C(2) atom. In the eighth O site, O(8) is bonded to one Li(1), one Li(2), one Ni(1), and one C(2) atom to form a mixture of distorted edge and corner-sharing OLi2NiC tetrahedra. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Li(3), one Ni(1), and one C(4) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Li(2), one Ni(2), and one C(2) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Li(3), one Ni(2), and one C(4) atom. In the twelfth O site, O(12) is bonded to one Li(1), one Li(2), one Ni(1), and one C(4) atom to form a mixture of distorted edge and corner-sharing OLi2NiC trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li3Ni2(CO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.229
_cell_length_b   6.270
_cell_length_c   7.708
_cell_angle_alpha   90.274
_cell_angle_beta   90.241
_cell_angle_gamma   114.520
_symmetry_Int_Tables_number   1
_cell_volume   229.895
_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  0.303  0.688  0.061  1.0
  Li  Li1  1  0.695  0.315  0.934  1.0
  Li  Li2  1  0.805  0.190  0.444  1.0
  Ni  Ni3  1  0.995  0.998  0.004  1.0
  Ni  Ni4  1  0.499  0.508  0.499  1.0
  C  C5  1  0.738  0.883  0.741  1.0
  C  C6  1  0.227  0.374  0.763  1.0
  C  C7  1  0.765  0.615  0.233  1.0
  C  C8  1  0.272  0.122  0.262  1.0
  O  O9  1  0.620  0.916  0.882  1.0
  O  O10  1  0.622  0.848  0.593  1.0
  O  O11  1  0.517  0.615  0.243  1.0
  O  O12  1  0.991  0.901  0.766  1.0
  O  O13  1  0.900  0.656  0.086  1.0
  O  O14  1  0.868  0.569  0.371  1.0
  O  O15  1  0.110  0.392  0.620  1.0
  O  O16  1  0.096  0.341  0.911  1.0
  O  O17  1  0.015  0.103  0.247  1.0
  O  O18  1  0.486  0.401  0.756  1.0
  O  O19  1  0.411  0.173  0.401  1.0
  O  O20  1  0.374  0.080  0.116  1.0
[/CIF]
.
The structure described by Li3Ni2(CO3)4 crystallizes in the triclinic P1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a 5-coordinate geometry to one O(1), one O(12), one O(3), one O(5), and one O(8) atom. In the second Li site, Li(2) is bonded in a 5-coordinate geometry to one O(1), one O(10), one O(12), one O(5), and one O(8) atom. In the third Li site, Li(3) is bonded to one O(11), one O(2), one O(6), one O(7), and one O(9) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one Ni(1)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra, and  an edgeedge with one Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 35-72°. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(1), one O(12), one O(4), one O(5), one O(8), and one O(9) atom to form NiO6 octahedra that share  a cornercorner with one Li(3)O5 trigonal bipyramid. In the second Ni site, Ni(2) is bonded to one O(10), one O(11), one O(2), one O(3), one O(6), and one O(7) atom to form NiO6 octahedra that share corners with two equivalent Li(3)O5 trigonal bipyramids and  an edgeedge with one Li(3)O5 trigonal bipyramid. 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(4) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(10), one O(7), and one O(8) atom. In the third C site, C(3) is bonded in a trigonal planar geometry to one O(3), one O(5), and one O(6) atom. In the fourth C site, C(4) is bonded in a trigonal planar geometry to one O(11), one O(12), and one O(9) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), one Ni(1), and one C(1) atom to form a mixture of distorted edge and corner-sharing OLi2NiC trigonal pyramids. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Li(3), one Ni(2), and one C(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(1), one Ni(2), and one C(3) atom. In the fourth O site, O(4) is bonded in an L-shaped geometry to one Ni(1) and one C(1) atom. In the fifth O site, O(5) is bonded to one Li(1), one Li(2), one Ni(1), and one C(3) atom to form a mixture of distorted edge and corner-sharing OLi2NiC tetrahedra. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Li(3), one Ni(2), and one C(3) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Li(3), one Ni(2), and one C(2) atom. In the eighth O site, O(8) is bonded to one Li(1), one Li(2), one Ni(1), and one C(2) atom to form a mixture of distorted edge and corner-sharing OLi2NiC tetrahedra. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Li(3), one Ni(1), and one C(4) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Li(2), one Ni(2), and one C(2) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Li(3), one Ni(2), and one C(4) atom. In the twelfth O site, O(12) is bonded to one Li(1), one Li(2), one Ni(1), and one C(4) atom to form a mixture of distorted edge and corner-sharing OLi2NiC trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li3Ni2(CO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.229
_cell_length_b   6.270
_cell_length_c   7.708
_cell_angle_alpha   90.274
_cell_angle_beta   90.241
_cell_angle_gamma   114.520
_symmetry_Int_Tables_number   1
_cell_volume   229.895
_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  0.303  0.688  0.061  1.0
  Li  Li1  1  0.695  0.315  0.934  1.0
  Li  Li2  1  0.805  0.190  0.444  1.0
  Ni  Ni3  1  0.995  0.998  0.004  1.0
  Ni  Ni4  1  0.499  0.508  0.499  1.0
  C  C5  1  0.738  0.883  0.741  1.0
  C  C6  1  0.227  0.374  0.763  1.0
  C  C7  1  0.765  0.615  0.233  1.0
  C  C8  1  0.272  0.122  0.262  1.0
  O  O9  1  0.620  0.916  0.882  1.0
  O  O10  1  0.622  0.848  0.593  1.0
  O  O11  1  0.517  0.615  0.243  1.0
  O  O12  1  0.991  0.901  0.766  1.0
  O  O13  1  0.900  0.656  0.086  1.0
  O  O14  1  0.868  0.569  0.371  1.0
  O  O15  1  0.110  0.392  0.620  1.0
  O  O16  1  0.096  0.341  0.911  1.0
  O  O17  1  0.015  0.103  0.247  1.0
  O  O18  1  0.486  0.401  0.756  1.0
  O  O19  1  0.411  0.173  0.401  1.0
  O  O20  1  0.374  0.080  0.116  1.0
[/CIF]
.