The compound described by Li5Co3(NiO5)2 crystallizes in the triclinic P-1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a 2-coordinate geometry to one Li(3), two equivalent Ni(1), and two equivalent O(3) atoms. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one Li(3), one Co(2), one Ni(1), one O(4), and one O(5) atom. In the third Li site, Li(3) is bonded in a 10-coordinate geometry to two equivalent Li(1), two equivalent Li(2), two equivalent Ni(1), two equivalent O(3), and two equivalent O(5) atoms. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a distorted linear geometry to two equivalent O(1) atoms. In the second Co site, Co(2) is bonded in a 1-coordinate geometry to one Li(2), one O(1), one O(2), and one O(4) atom. Ni(1) is bonded in a 6-coordinate geometry to one Li(2), one Li(3), two equivalent Li(1), one O(3), and one O(5) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Co(1), one Co(2), and one O(4) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Co(2) and one O(2) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Li(3), two equivalent Li(1), one Ni(1), and one O(5) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one Li(2), one Co(2), and one O(1) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one Li(2), one Li(3), one Ni(1), and one O(3) atom. is represented by the CIF card [CIF]
data_Li5Co3(NiO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.895
_cell_length_b   5.014
_cell_length_c   7.550
_cell_angle_alpha   106.519
_cell_angle_beta   102.653
_cell_angle_gamma   101.606
_symmetry_Int_Tables_number   1
_cell_volume   166.327
_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  0.380  0.093  0.415  1.0
  Li  Li1  1  0.836  0.731  0.777  1.0
  Li  Li2  1  0.500  0.500  0.500  1.0
  Li  Li3  1  0.164  0.269  0.223  1.0
  Li  Li4  1  0.620  0.907  0.585  1.0
  Co  Co5  1  0.000  0.500  0.000  1.0
  Co  Co6  1  0.900  0.097  0.900  1.0
  Co  Co7  1  0.100  0.903  0.100  1.0
  Ni  Ni8  1  0.714  0.309  0.693  1.0
  Ni  Ni9  1  0.286  0.691  0.307  1.0
  O  O10  1  0.296  0.378  0.872  1.0
  O  O11  1  0.433  0.829  0.950  1.0
  O  O12  1  0.048  0.221  0.542  1.0
  O  O13  1  0.771  0.001  0.229  1.0
  O  O14  1  0.111  0.562  0.668  1.0
  O  O15  1  0.889  0.438  0.332  1.0
  O  O16  1  0.229  0.999  0.771  1.0
  O  O17  1  0.952  0.779  0.458  1.0
  O  O18  1  0.567  0.171  0.050  1.0
  O  O19  1  0.704  0.622  0.128  1.0
[/CIF]
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The compound described by Li5Co3(NiO5)2 crystallizes in the triclinic P-1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a 2-coordinate geometry to one Li(3), two equivalent Ni(1), and two equivalent O(3) atoms. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one Li(3), one Co(2), one Ni(1), one O(4), and one O(5) atom. In the third Li site, Li(3) is bonded in a 10-coordinate geometry to two equivalent Li(1), two equivalent Li(2), two equivalent Ni(1), two equivalent O(3), and two equivalent O(5) atoms. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a distorted linear geometry to two equivalent O(1) atoms. In the second Co site, Co(2) is bonded in a 1-coordinate geometry to one Li(2), one O(1), one O(2), and one O(4) atom. Ni(1) is bonded in a 6-coordinate geometry to one Li(2), one Li(3), two equivalent Li(1), one O(3), and one O(5) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Co(1), one Co(2), and one O(4) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Co(2) and one O(2) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Li(3), two equivalent Li(1), one Ni(1), and one O(5) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one Li(2), one Co(2), and one O(1) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one Li(2), one Li(3), one Ni(1), and one O(3) atom. is represented by the CIF card [CIF]
data_Li5Co3(NiO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.895
_cell_length_b   5.014
_cell_length_c   7.550
_cell_angle_alpha   106.519
_cell_angle_beta   102.653
_cell_angle_gamma   101.606
_symmetry_Int_Tables_number   1
_cell_volume   166.327
_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  0.380  0.093  0.415  1.0
  Li  Li1  1  0.836  0.731  0.777  1.0
  Li  Li2  1  0.500  0.500  0.500  1.0
  Li  Li3  1  0.164  0.269  0.223  1.0
  Li  Li4  1  0.620  0.907  0.585  1.0
  Co  Co5  1  0.000  0.500  0.000  1.0
  Co  Co6  1  0.900  0.097  0.900  1.0
  Co  Co7  1  0.100  0.903  0.100  1.0
  Ni  Ni8  1  0.714  0.309  0.693  1.0
  Ni  Ni9  1  0.286  0.691  0.307  1.0
  O  O10  1  0.296  0.378  0.872  1.0
  O  O11  1  0.433  0.829  0.950  1.0
  O  O12  1  0.048  0.221  0.542  1.0
  O  O13  1  0.771  0.001  0.229  1.0
  O  O14  1  0.111  0.562  0.668  1.0
  O  O15  1  0.889  0.438  0.332  1.0
  O  O16  1  0.229  0.999  0.771  1.0
  O  O17  1  0.952  0.779  0.458  1.0
  O  O18  1  0.567  0.171  0.050  1.0
  O  O19  1  0.704  0.622  0.128  1.0
[/CIF]
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