The material described by Li3Ni2(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 4-coordinate geometry to one O(3), one O(5), one O(7), and one O(9) atom. In the second Li site, Li(2) is bonded in a rectangular see-saw-like geometry to one O(10), one O(2), one O(3), and one O(7) atom. In the third Li site, Li(3) is bonded in a distorted see-saw-like geometry to one O(1), one O(11), one O(12), and one O(4) atom. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 5-coordinate geometry to one O(1), one O(12), one O(2), one O(6), and one O(8) atom. In the second Ni site, Ni(2) is bonded in a 5-coordinate geometry to one O(10), one O(11), one O(3), one O(5), 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 3-coordinate geometry to one Li(3), one Ni(1), and one C(1) atom. In the second O site, O(2) is bonded in a trigonal non-coplanar geometry to one Li(2), one Ni(1), and one C(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one Ni(2), and one C(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Li(3) and one C(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Ni(2), and one C(2) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Ni(1) and one C(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Li(1), one Li(2), and one C(3) atom. In the eighth O site, O(8) is bonded in a bent 120 degrees geometry to one Ni(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 Ni(2), and one C(3) 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(4) atom. In the eleventh O site, O(11) is bonded in a trigonal non-coplanar geometry to one Li(3), one Ni(2), and one C(4) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Li(3), one Ni(1), and one C(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li3Ni2(CO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.475
_cell_length_b   6.885
_cell_length_c   8.372
_cell_angle_alpha   70.065
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   513.424
_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  0.195  0.301  0.832  1.0
  Li  Li1  1  0.886  0.252  0.099  1.0
  Li  Li2  1  0.386  0.748  0.901  1.0
  Li  Li3  1  0.695  0.699  0.168  1.0
  Li  Li4  1  0.614  0.753  0.598  1.0
  Li  Li5  1  0.114  0.247  0.402  1.0
  Ni  Ni6  1  0.385  0.290  0.201  1.0
  Ni  Ni7  1  0.885  0.710  0.799  1.0
  Ni  Ni8  1  0.116  0.788  0.700  1.0
  Ni  Ni9  1  0.616  0.212  0.300  1.0
  C  C10  1  0.606  0.494  0.974  1.0
  C  C11  1  0.106  0.506  0.026  1.0
  C  C12  1  0.490  0.517  0.394  1.0
  C  C13  1  0.990  0.483  0.606  1.0
  C  C14  1  0.004  0.021  0.888  1.0
  C  C15  1  0.504  0.979  0.112  1.0
  C  C16  1  0.892  0.992  0.479  1.0
  C  C17  1  0.392  0.008  0.521  1.0
  O  O18  1  0.154  0.378  0.161  1.0
  O  O19  1  0.471  0.466  0.995  1.0
  O  O20  1  0.694  0.399  0.097  1.0
  O  O21  1  0.194  0.601  0.903  1.0
  O  O22  1  0.971  0.534  0.005  1.0
  O  O23  1  0.654  0.622  0.839  1.0
  O  O24  1  0.982  0.370  0.517  1.0
  O  O25  1  0.616  0.440  0.375  1.0
  O  O26  1  0.381  0.481  0.315  1.0
  O  O27  1  0.881  0.519  0.685  1.0
  O  O28  1  0.116  0.560  0.625  1.0
  O  O29  1  0.518  0.845  0.041  1.0
  O  O30  1  0.482  0.630  0.483  1.0
  O  O31  1  0.890  0.915  0.902  1.0
  O  O32  1  0.113  0.998  0.798  1.0
  O  O33  1  0.613  0.002  0.202  1.0
  O  O34  1  0.390  0.085  0.098  1.0
  O  O35  1  0.018  0.155  0.959  1.0
  O  O36  1  0.345  0.882  0.659  1.0
  O  O37  1  0.028  0.962  0.496  1.0
  O  O38  1  0.806  0.895  0.600  1.0
  O  O39  1  0.306  0.105  0.400  1.0
  O  O40  1  0.528  0.038  0.504  1.0
  O  O41  1  0.845  0.118  0.341  1.0
[/CIF]
.
The material described by Li3Ni2(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 4-coordinate geometry to one O(3), one O(5), one O(7), and one O(9) atom. In the second Li site, Li(2) is bonded in a rectangular see-saw-like geometry to one O(10), one O(2), one O(3), and one O(7) atom. In the third Li site, Li(3) is bonded in a distorted see-saw-like geometry to one O(1), one O(11), one O(12), and one O(4) atom. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 5-coordinate geometry to one O(1), one O(12), one O(2), one O(6), and one O(8) atom. In the second Ni site, Ni(2) is bonded in a 5-coordinate geometry to one O(10), one O(11), one O(3), one O(5), 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 3-coordinate geometry to one Li(3), one Ni(1), and one C(1) atom. In the second O site, O(2) is bonded in a trigonal non-coplanar geometry to one Li(2), one Ni(1), and one C(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one Ni(2), and one C(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Li(3) and one C(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Ni(2), and one C(2) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Ni(1) and one C(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Li(1), one Li(2), and one C(3) atom. In the eighth O site, O(8) is bonded in a bent 120 degrees geometry to one Ni(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 Ni(2), and one C(3) 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(4) atom. In the eleventh O site, O(11) is bonded in a trigonal non-coplanar geometry to one Li(3), one Ni(2), and one C(4) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Li(3), one Ni(1), and one C(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li3Ni2(CO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.475
_cell_length_b   6.885
_cell_length_c   8.372
_cell_angle_alpha   70.065
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   513.424
_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  0.195  0.301  0.832  1.0
  Li  Li1  1  0.886  0.252  0.099  1.0
  Li  Li2  1  0.386  0.748  0.901  1.0
  Li  Li3  1  0.695  0.699  0.168  1.0
  Li  Li4  1  0.614  0.753  0.598  1.0
  Li  Li5  1  0.114  0.247  0.402  1.0
  Ni  Ni6  1  0.385  0.290  0.201  1.0
  Ni  Ni7  1  0.885  0.710  0.799  1.0
  Ni  Ni8  1  0.116  0.788  0.700  1.0
  Ni  Ni9  1  0.616  0.212  0.300  1.0
  C  C10  1  0.606  0.494  0.974  1.0
  C  C11  1  0.106  0.506  0.026  1.0
  C  C12  1  0.490  0.517  0.394  1.0
  C  C13  1  0.990  0.483  0.606  1.0
  C  C14  1  0.004  0.021  0.888  1.0
  C  C15  1  0.504  0.979  0.112  1.0
  C  C16  1  0.892  0.992  0.479  1.0
  C  C17  1  0.392  0.008  0.521  1.0
  O  O18  1  0.154  0.378  0.161  1.0
  O  O19  1  0.471  0.466  0.995  1.0
  O  O20  1  0.694  0.399  0.097  1.0
  O  O21  1  0.194  0.601  0.903  1.0
  O  O22  1  0.971  0.534  0.005  1.0
  O  O23  1  0.654  0.622  0.839  1.0
  O  O24  1  0.982  0.370  0.517  1.0
  O  O25  1  0.616  0.440  0.375  1.0
  O  O26  1  0.381  0.481  0.315  1.0
  O  O27  1  0.881  0.519  0.685  1.0
  O  O28  1  0.116  0.560  0.625  1.0
  O  O29  1  0.518  0.845  0.041  1.0
  O  O30  1  0.482  0.630  0.483  1.0
  O  O31  1  0.890  0.915  0.902  1.0
  O  O32  1  0.113  0.998  0.798  1.0
  O  O33  1  0.613  0.002  0.202  1.0
  O  O34  1  0.390  0.085  0.098  1.0
  O  O35  1  0.018  0.155  0.959  1.0
  O  O36  1  0.345  0.882  0.659  1.0
  O  O37  1  0.028  0.962  0.496  1.0
  O  O38  1  0.806  0.895  0.600  1.0
  O  O39  1  0.306  0.105  0.400  1.0
  O  O40  1  0.528  0.038  0.504  1.0
  O  O41  1  0.845  0.118  0.341  1.0
[/CIF]
.