The compound described by Li2CoNiO4 is Caswellsilverite-derived structured and crystallizes in the monoclinic C2 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(2), one O(4), two equivalent O(5), and two equivalent O(6) atoms to form LiO6 octahedra that share corners with two equivalent Co(1)O6 octahedra, corners with four equivalent Li(2)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, edges with four equivalent Li(3)O6 octahedra, and edges with four equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-10°. In the second Li site, Li(2) is bonded to one O(1), one O(3), two equivalent O(5), and two equivalent O(6) atoms to form LiO6 octahedra that share corners with two equivalent Co(2)O6 octahedra, corners with four equivalent Li(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, edges with four equivalent Li(3)O6 octahedra, and edges with four equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-10°. In the third Li site, Li(3) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form LiO6 octahedra that share corners with two equivalent Ni(1)O6 octahedra, corners with four equivalent Li(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and edges with four equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-13°. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(2), one O(4), two equivalent O(5), and two equivalent O(6) atoms to form CoO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with four equivalent Co(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with four equivalent Li(3)O6 octahedra, and edges with four equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-10°. In the second Co site, Co(2) is bonded to one O(1), one O(3), two equivalent O(5), and two equivalent O(6) atoms to form CoO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, corners with four equivalent Co(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with four equivalent Li(3)O6 octahedra, and edges with four equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-10°. Ni(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form NiO6 octahedra that share corners with two equivalent Li(3)O6 octahedra, corners with four equivalent Ni(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and edges with four equivalent Li(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-13°. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Li(2), two equivalent Li(3), one Co(2), and two equivalent Ni(1) atoms to form OLi3CoNi2 octahedra that share corners with two equivalent O(3)Li3CoNi2 octahedra, corners with four equivalent O(2)Li3CoNi2 octahedra, edges with two equivalent O(3)Li3CoNi2 octahedra, edges with two equivalent O(4)Li3CoNi2 octahedra, edges with four equivalent O(5)Li3Co2Ni octahedra, and edges with four equivalent O(6)Li3Co2Ni octahedra. The corner-sharing octahedral tilt angles range from 0-10°. In the second O site, O(2) is bonded to one Li(1), two equivalent Li(3), one Co(1), and two equivalent Ni(1) atoms to form OLi3CoNi2 octahedra that share corners with two equivalent O(4)Li3CoNi2 octahedra, corners with four equivalent O(1)Li3CoNi2 octahedra, edges with two equivalent O(3)Li3CoNi2 octahedra, edges with two equivalent O(4)Li3CoNi2 octahedra, edges with four equivalent O(5)Li3Co2Ni octahedra, and edges with four equivalent O(6)Li3Co2Ni octahedra. The corner-sharing octahedral tilt angles range from 0-10°. In the third O site, O(3) is bonded to one Li(2), two equivalent Li(3), one Co(2), and two equivalent Ni(1) atoms to form OLi3CoNi2 octahedra that share corners with two equivalent O(1)Li3CoNi2 octahedra, corners with four equivalent O(4)Li3CoNi2 octahedra, edges with two equivalent O(1)Li3CoNi2 octahedra, edges with two equivalent O(2)Li3CoNi2 octahedra, edges with four equivalent O(5)Li3Co2Ni octahedra, and edges with four equivalent O(6)Li3Co2Ni octahedra. The corner-sharing octahedral tilt angles range from 0-10°. In the fourth O site, O(4) is bonded to one Li(1), two equivalent Li(3), one Co(1), and two equivalent Ni(1) atoms to form OLi3CoNi2 octahedra that share corners with two equivalent O(2)Li3CoNi2 octahedra, corners with four equivalent O(3)Li3CoNi2 octahedra, edges with two equivalent O(1)Li3CoNi2 octahedra, edges with two equivalent O(2)Li3CoNi2 octahedra, edges with four equivalent O(5)Li3Co2Ni octahedra, and edges with four equivalent O(6)Li3Co2Ni octahedra. The corner-sharing octahedral tilt angles range from 0-10°. In the fifth O site, O(5) is bonded to one Li(1), one Li(2), one Li(3), one Co(1), one Co(2), and one Ni(1) atom to form OLi3Co2Ni octahedra that share corners with two equivalent O(6)Li3Co2Ni octahedra, corners with four equivalent O(5)Li3Co2Ni octahedra, edges with two equivalent O(1)Li3CoNi2 octahedra, edges with two equivalent O(2)Li3CoNi2 octahedra, edges with two equivalent O(3)Li3CoNi2 octahedra, edges with two equivalent O(4)Li3CoNi2 octahedra, and edges with four equivalent O(6)Li3Co2Ni octahedra. The corner-sharing octahedral tilt angles range from 0-10°. In the sixth O site, O(6) is bonded to one Li(1), one Li(2), one Li(3), one Co(1), one Co(2), and one Ni(1) atom to form OLi3Co2Ni octahedra that share corners with two equivalent O(5)Li3Co2Ni octahedra, corners with four equivalent O(6)Li3Co2Ni octahedra, edges with two equivalent O(1)Li3CoNi2 octahedra, edges with two equivalent O(2)Li3CoNi2 octahedra, edges with two equivalent O(3)Li3CoNi2 octahedra, edges with two equivalent O(4)Li3CoNi2 octahedra, and edges with four equivalent O(5)Li3Co2Ni octahedra. The corner-sharing octahedral tilt angles range from 0-10°. is represented by the CIF file [CIF]
data_Li2CoNiO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.071
_cell_length_b   4.083
_cell_length_c   5.129
_cell_angle_alpha   113.333
_cell_angle_beta   113.264
_cell_angle_gamma   90.272
_symmetry_Int_Tables_number   1
_cell_volume   70.590
_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
  Co  Co0  1  0.750  0.250  0.500  1.0
  Li  Li1  1  0.250  0.750  0.500  1.0
  Li  Li2  1  0.500  0.500  1.000  1.0
  Ni  Ni3  1  0.000  0.000  0.000  1.0
  O  O4  1  0.521  0.021  0.041  1.0
  O  O5  1  0.979  0.479  0.958  1.0
  O  O6  1  0.770  0.770  0.541  1.0
  O  O7  1  0.230  0.230  0.460  1.0
[/CIF]
.
The compound described by Li2CoNiO4 is Caswellsilverite-derived structured and crystallizes in the monoclinic C2 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(2), one O(4), two equivalent O(5), and two equivalent O(6) atoms to form LiO6 octahedra that share corners with two equivalent Co(1)O6 octahedra, corners with four equivalent Li(2)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, edges with four equivalent Li(3)O6 octahedra, and edges with four equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-10°. In the second Li site, Li(2) is bonded to one O(1), one O(3), two equivalent O(5), and two equivalent O(6) atoms to form LiO6 octahedra that share corners with two equivalent Co(2)O6 octahedra, corners with four equivalent Li(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, edges with four equivalent Li(3)O6 octahedra, and edges with four equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-10°. In the third Li site, Li(3) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form LiO6 octahedra that share corners with two equivalent Ni(1)O6 octahedra, corners with four equivalent Li(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and edges with four equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-13°. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(2), one O(4), two equivalent O(5), and two equivalent O(6) atoms to form CoO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with four equivalent Co(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with four equivalent Li(3)O6 octahedra, and edges with four equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-10°. In the second Co site, Co(2) is bonded to one O(1), one O(3), two equivalent O(5), and two equivalent O(6) atoms to form CoO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, corners with four equivalent Co(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with four equivalent Li(3)O6 octahedra, and edges with four equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-10°. Ni(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form NiO6 octahedra that share corners with two equivalent Li(3)O6 octahedra, corners with four equivalent Ni(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and edges with four equivalent Li(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-13°. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Li(2), two equivalent Li(3), one Co(2), and two equivalent Ni(1) atoms to form OLi3CoNi2 octahedra that share corners with two equivalent O(3)Li3CoNi2 octahedra, corners with four equivalent O(2)Li3CoNi2 octahedra, edges with two equivalent O(3)Li3CoNi2 octahedra, edges with two equivalent O(4)Li3CoNi2 octahedra, edges with four equivalent O(5)Li3Co2Ni octahedra, and edges with four equivalent O(6)Li3Co2Ni octahedra. The corner-sharing octahedral tilt angles range from 0-10°. In the second O site, O(2) is bonded to one Li(1), two equivalent Li(3), one Co(1), and two equivalent Ni(1) atoms to form OLi3CoNi2 octahedra that share corners with two equivalent O(4)Li3CoNi2 octahedra, corners with four equivalent O(1)Li3CoNi2 octahedra, edges with two equivalent O(3)Li3CoNi2 octahedra, edges with two equivalent O(4)Li3CoNi2 octahedra, edges with four equivalent O(5)Li3Co2Ni octahedra, and edges with four equivalent O(6)Li3Co2Ni octahedra. The corner-sharing octahedral tilt angles range from 0-10°. In the third O site, O(3) is bonded to one Li(2), two equivalent Li(3), one Co(2), and two equivalent Ni(1) atoms to form OLi3CoNi2 octahedra that share corners with two equivalent O(1)Li3CoNi2 octahedra, corners with four equivalent O(4)Li3CoNi2 octahedra, edges with two equivalent O(1)Li3CoNi2 octahedra, edges with two equivalent O(2)Li3CoNi2 octahedra, edges with four equivalent O(5)Li3Co2Ni octahedra, and edges with four equivalent O(6)Li3Co2Ni octahedra. The corner-sharing octahedral tilt angles range from 0-10°. In the fourth O site, O(4) is bonded to one Li(1), two equivalent Li(3), one Co(1), and two equivalent Ni(1) atoms to form OLi3CoNi2 octahedra that share corners with two equivalent O(2)Li3CoNi2 octahedra, corners with four equivalent O(3)Li3CoNi2 octahedra, edges with two equivalent O(1)Li3CoNi2 octahedra, edges with two equivalent O(2)Li3CoNi2 octahedra, edges with four equivalent O(5)Li3Co2Ni octahedra, and edges with four equivalent O(6)Li3Co2Ni octahedra. The corner-sharing octahedral tilt angles range from 0-10°. In the fifth O site, O(5) is bonded to one Li(1), one Li(2), one Li(3), one Co(1), one Co(2), and one Ni(1) atom to form OLi3Co2Ni octahedra that share corners with two equivalent O(6)Li3Co2Ni octahedra, corners with four equivalent O(5)Li3Co2Ni octahedra, edges with two equivalent O(1)Li3CoNi2 octahedra, edges with two equivalent O(2)Li3CoNi2 octahedra, edges with two equivalent O(3)Li3CoNi2 octahedra, edges with two equivalent O(4)Li3CoNi2 octahedra, and edges with four equivalent O(6)Li3Co2Ni octahedra. The corner-sharing octahedral tilt angles range from 0-10°. In the sixth O site, O(6) is bonded to one Li(1), one Li(2), one Li(3), one Co(1), one Co(2), and one Ni(1) atom to form OLi3Co2Ni octahedra that share corners with two equivalent O(5)Li3Co2Ni octahedra, corners with four equivalent O(6)Li3Co2Ni octahedra, edges with two equivalent O(1)Li3CoNi2 octahedra, edges with two equivalent O(2)Li3CoNi2 octahedra, edges with two equivalent O(3)Li3CoNi2 octahedra, edges with two equivalent O(4)Li3CoNi2 octahedra, and edges with four equivalent O(5)Li3Co2Ni octahedra. The corner-sharing octahedral tilt angles range from 0-10°. is represented by the CIF file [CIF]
data_Li2CoNiO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.071
_cell_length_b   4.083
_cell_length_c   5.129
_cell_angle_alpha   113.333
_cell_angle_beta   113.264
_cell_angle_gamma   90.272
_symmetry_Int_Tables_number   1
_cell_volume   70.590
_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
  Co  Co0  1  0.750  0.250  0.500  1.0
  Li  Li1  1  0.250  0.750  0.500  1.0
  Li  Li2  1  0.500  0.500  1.000  1.0
  Ni  Ni3  1  0.000  0.000  0.000  1.0
  O  O4  1  0.521  0.021  0.041  1.0
  O  O5  1  0.979  0.479  0.958  1.0
  O  O6  1  0.770  0.770  0.541  1.0
  O  O7  1  0.230  0.230  0.460  1.0
[/CIF]
.