The material described by LiNi2(CO4)2 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded in a 7-coordinate geometry to one O(1), one O(3), one O(5), one O(6), one O(7), and two equivalent O(2) atoms. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(2), one O(3), one O(4), one O(5), one O(7), and one O(8) atom to form edge-sharing NiO6 octahedra. In the second Ni site, Ni(2) is bonded to one O(1), one O(3), one O(4), one O(6), one O(7), and one O(8) atom to form edge-sharing NiO6 octahedra. There are two inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one O(3), one O(5), and one O(7) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(4), one O(6), and one O(8) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(1), one Ni(2), and one O(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Li(1), one Ni(1), and one O(2) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Li(1), one Ni(1), one Ni(2), and one C(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Ni(1), one Ni(2), and one C(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Li(1), one Ni(1), and one C(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Li(1), one Ni(2), and one C(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal pyramidal geometry to one Li(1), one Ni(1), one Ni(2), and one C(1) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Ni(1), one Ni(2), and one C(2) atom. is represented by the CIF card [CIF]
data_LiNi2(CO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.545
_cell_length_b   6.404
_cell_length_c   11.395
_cell_angle_alpha   56.758
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   521.484
_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  0.074  0.472  0.168  1.0
  Li  Li1  1  0.574  0.528  0.332  1.0
  Li  Li2  1  0.426  0.472  0.668  1.0
  Li  Li3  1  0.926  0.528  0.832  1.0
  Ni  Ni4  1  0.732  0.488  0.092  1.0
  Ni  Ni5  1  0.730  0.985  0.093  1.0
  Ni  Ni6  1  0.232  0.512  0.408  1.0
  Ni  Ni7  1  0.230  0.015  0.407  1.0
  Ni  Ni8  1  0.770  0.985  0.593  1.0
  Ni  Ni9  1  0.768  0.488  0.592  1.0
  Ni  Ni10  1  0.270  0.015  0.907  1.0
  Ni  Ni11  1  0.268  0.512  0.908  1.0
  C  C12  1  0.384  0.482  0.163  1.0
  C  C13  1  0.375  0.972  0.166  1.0
  C  C14  1  0.884  0.518  0.337  1.0
  C  C15  1  0.875  0.028  0.334  1.0
  C  C16  1  0.125  0.972  0.666  1.0
  C  C17  1  0.116  0.482  0.663  1.0
  C  C18  1  0.625  0.028  0.834  1.0
  C  C19  1  0.616  0.518  0.837  1.0
  O  O20  1  0.051  0.916  0.009  1.0
  O  O21  1  0.056  0.412  0.011  1.0
  O  O22  1  0.330  0.633  0.036  1.0
  O  O23  1  0.324  0.137  0.040  1.0
  O  O24  1  0.525  0.416  0.192  1.0
  O  O25  1  0.511  0.877  0.185  1.0
  O  O26  1  0.282  0.393  0.267  1.0
  O  O27  1  0.281  0.891  0.274  1.0
  O  O28  1  0.782  0.607  0.233  1.0
  O  O29  1  0.781  0.109  0.226  1.0
  O  O30  1  0.025  0.584  0.308  1.0
  O  O31  1  0.011  0.123  0.315  1.0
  O  O32  1  0.830  0.367  0.464  1.0
  O  O33  1  0.824  0.863  0.460  1.0
  O  O34  1  0.556  0.588  0.489  1.0
  O  O35  1  0.551  0.084  0.491  1.0
  O  O36  1  0.444  0.412  0.511  1.0
  O  O37  1  0.449  0.916  0.509  1.0
  O  O38  1  0.176  0.137  0.540  1.0
  O  O39  1  0.170  0.633  0.536  1.0
  O  O40  1  0.989  0.877  0.685  1.0
  O  O41  1  0.975  0.416  0.692  1.0
  O  O42  1  0.219  0.891  0.774  1.0
  O  O43  1  0.218  0.393  0.767  1.0
  O  O44  1  0.719  0.109  0.726  1.0
  O  O45  1  0.718  0.607  0.733  1.0
  O  O46  1  0.489  0.123  0.815  1.0
  O  O47  1  0.475  0.584  0.808  1.0
  O  O48  1  0.676  0.863  0.960  1.0
  O  O49  1  0.670  0.367  0.964  1.0
  O  O50  1  0.944  0.588  0.989  1.0
  O  O51  1  0.949  0.084  0.991  1.0
[/CIF]
.
The material described by LiNi2(CO4)2 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded in a 7-coordinate geometry to one O(1), one O(3), one O(5), one O(6), one O(7), and two equivalent O(2) atoms. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(2), one O(3), one O(4), one O(5), one O(7), and one O(8) atom to form edge-sharing NiO6 octahedra. In the second Ni site, Ni(2) is bonded to one O(1), one O(3), one O(4), one O(6), one O(7), and one O(8) atom to form edge-sharing NiO6 octahedra. There are two inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one O(3), one O(5), and one O(7) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(4), one O(6), and one O(8) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(1), one Ni(2), and one O(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Li(1), one Ni(1), and one O(2) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Li(1), one Ni(1), one Ni(2), and one C(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Ni(1), one Ni(2), and one C(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Li(1), one Ni(1), and one C(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Li(1), one Ni(2), and one C(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal pyramidal geometry to one Li(1), one Ni(1), one Ni(2), and one C(1) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Ni(1), one Ni(2), and one C(2) atom. is represented by the CIF card [CIF]
data_LiNi2(CO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.545
_cell_length_b   6.404
_cell_length_c   11.395
_cell_angle_alpha   56.758
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   521.484
_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  0.074  0.472  0.168  1.0
  Li  Li1  1  0.574  0.528  0.332  1.0
  Li  Li2  1  0.426  0.472  0.668  1.0
  Li  Li3  1  0.926  0.528  0.832  1.0
  Ni  Ni4  1  0.732  0.488  0.092  1.0
  Ni  Ni5  1  0.730  0.985  0.093  1.0
  Ni  Ni6  1  0.232  0.512  0.408  1.0
  Ni  Ni7  1  0.230  0.015  0.407  1.0
  Ni  Ni8  1  0.770  0.985  0.593  1.0
  Ni  Ni9  1  0.768  0.488  0.592  1.0
  Ni  Ni10  1  0.270  0.015  0.907  1.0
  Ni  Ni11  1  0.268  0.512  0.908  1.0
  C  C12  1  0.384  0.482  0.163  1.0
  C  C13  1  0.375  0.972  0.166  1.0
  C  C14  1  0.884  0.518  0.337  1.0
  C  C15  1  0.875  0.028  0.334  1.0
  C  C16  1  0.125  0.972  0.666  1.0
  C  C17  1  0.116  0.482  0.663  1.0
  C  C18  1  0.625  0.028  0.834  1.0
  C  C19  1  0.616  0.518  0.837  1.0
  O  O20  1  0.051  0.916  0.009  1.0
  O  O21  1  0.056  0.412  0.011  1.0
  O  O22  1  0.330  0.633  0.036  1.0
  O  O23  1  0.324  0.137  0.040  1.0
  O  O24  1  0.525  0.416  0.192  1.0
  O  O25  1  0.511  0.877  0.185  1.0
  O  O26  1  0.282  0.393  0.267  1.0
  O  O27  1  0.281  0.891  0.274  1.0
  O  O28  1  0.782  0.607  0.233  1.0
  O  O29  1  0.781  0.109  0.226  1.0
  O  O30  1  0.025  0.584  0.308  1.0
  O  O31  1  0.011  0.123  0.315  1.0
  O  O32  1  0.830  0.367  0.464  1.0
  O  O33  1  0.824  0.863  0.460  1.0
  O  O34  1  0.556  0.588  0.489  1.0
  O  O35  1  0.551  0.084  0.491  1.0
  O  O36  1  0.444  0.412  0.511  1.0
  O  O37  1  0.449  0.916  0.509  1.0
  O  O38  1  0.176  0.137  0.540  1.0
  O  O39  1  0.170  0.633  0.536  1.0
  O  O40  1  0.989  0.877  0.685  1.0
  O  O41  1  0.975  0.416  0.692  1.0
  O  O42  1  0.219  0.891  0.774  1.0
  O  O43  1  0.218  0.393  0.767  1.0
  O  O44  1  0.719  0.109  0.726  1.0
  O  O45  1  0.718  0.607  0.733  1.0
  O  O46  1  0.489  0.123  0.815  1.0
  O  O47  1  0.475  0.584  0.808  1.0
  O  O48  1  0.676  0.863  0.960  1.0
  O  O49  1  0.670  0.367  0.964  1.0
  O  O50  1  0.944  0.588  0.989  1.0
  O  O51  1  0.949  0.084  0.991  1.0
[/CIF]
.