The compound described by Li3MnCoO5 crystallizes in the triclinic P-1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded in a distorted linear geometry to two equivalent O(1) atoms. In the second Li site, Li(2) is bonded in a 2-coordinate geometry to one O(2), one O(3), one O(5), and two equivalent O(4) atoms. In the third Li site, Li(3) is bonded in a 3-coordinate geometry to one O(3) and two equivalent O(4) atoms. In the fourth Li site, Li(4) is bonded in a 2-coordinate geometry to two equivalent O(4) and two equivalent O(5) atoms. Mn(1) is bonded in a 2-coordinate geometry to one O(1), one O(2), one O(3), and one O(4) atom. Co(1) is bonded in a 1-coordinate geometry to one O(1), one O(5), and two equivalent O(4) atoms. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(1), one Mn(1), and one Co(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Li(2) and one Mn(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(2), one Li(3), and one Mn(1) atom. In the fourth O site, O(4) is bonded in a 8-coordinate geometry to one Li(4), two equivalent Li(2), two equivalent Li(3), one Mn(1), and two equivalent Co(1) atoms. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Li(2), one Li(4), and one Co(1) atom. is represented by the CIF card [CIF]
data_Li3MnCoO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.976
_cell_length_b   5.147
_cell_length_c   7.799
_cell_angle_alpha   108.921
_cell_angle_beta   102.202
_cell_angle_gamma   99.647
_symmetry_Int_Tables_number   1
_cell_volume   178.555
_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  0.000  0.500  0.500  1.0
  Li  Li1  1  0.392  0.489  0.712  1.0
  Li  Li2  1  0.800  0.505  0.909  1.0
  Li  Li3  1  0.200  0.495  0.091  1.0
  Li  Li4  1  0.608  0.511  0.288  1.0
  Li  Li5  1  0.000  0.000  0.000  1.0
  Mn  Mn6  1  0.199  0.999  0.602  1.0
  Mn  Mn7  1  0.801  0.001  0.398  1.0
  Co  Co8  1  0.594  0.999  0.813  1.0
  Co  Co9  1  0.406  0.001  0.187  1.0
  O  O10  1  0.178  0.222  0.365  1.0
  O  O11  1  0.586  0.221  0.546  1.0
  O  O12  1  0.999  0.221  0.736  1.0
  O  O13  1  0.422  0.243  0.949  1.0
  O  O14  1  0.783  0.228  0.172  1.0
  O  O15  1  0.822  0.778  0.635  1.0
  O  O16  1  0.217  0.772  0.828  1.0
  O  O17  1  0.578  0.757  0.051  1.0
  O  O18  1  0.001  0.779  0.264  1.0
  O  O19  1  0.414  0.779  0.454  1.0
[/CIF]
.
The compound described by Li3MnCoO5 crystallizes in the triclinic P-1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded in a distorted linear geometry to two equivalent O(1) atoms. In the second Li site, Li(2) is bonded in a 2-coordinate geometry to one O(2), one O(3), one O(5), and two equivalent O(4) atoms. In the third Li site, Li(3) is bonded in a 3-coordinate geometry to one O(3) and two equivalent O(4) atoms. In the fourth Li site, Li(4) is bonded in a 2-coordinate geometry to two equivalent O(4) and two equivalent O(5) atoms. Mn(1) is bonded in a 2-coordinate geometry to one O(1), one O(2), one O(3), and one O(4) atom. Co(1) is bonded in a 1-coordinate geometry to one O(1), one O(5), and two equivalent O(4) atoms. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(1), one Mn(1), and one Co(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Li(2) and one Mn(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(2), one Li(3), and one Mn(1) atom. In the fourth O site, O(4) is bonded in a 8-coordinate geometry to one Li(4), two equivalent Li(2), two equivalent Li(3), one Mn(1), and two equivalent Co(1) atoms. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Li(2), one Li(4), and one Co(1) atom. is represented by the CIF card [CIF]
data_Li3MnCoO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.976
_cell_length_b   5.147
_cell_length_c   7.799
_cell_angle_alpha   108.921
_cell_angle_beta   102.202
_cell_angle_gamma   99.647
_symmetry_Int_Tables_number   1
_cell_volume   178.555
_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  0.000  0.500  0.500  1.0
  Li  Li1  1  0.392  0.489  0.712  1.0
  Li  Li2  1  0.800  0.505  0.909  1.0
  Li  Li3  1  0.200  0.495  0.091  1.0
  Li  Li4  1  0.608  0.511  0.288  1.0
  Li  Li5  1  0.000  0.000  0.000  1.0
  Mn  Mn6  1  0.199  0.999  0.602  1.0
  Mn  Mn7  1  0.801  0.001  0.398  1.0
  Co  Co8  1  0.594  0.999  0.813  1.0
  Co  Co9  1  0.406  0.001  0.187  1.0
  O  O10  1  0.178  0.222  0.365  1.0
  O  O11  1  0.586  0.221  0.546  1.0
  O  O12  1  0.999  0.221  0.736  1.0
  O  O13  1  0.422  0.243  0.949  1.0
  O  O14  1  0.783  0.228  0.172  1.0
  O  O15  1  0.822  0.778  0.635  1.0
  O  O16  1  0.217  0.772  0.828  1.0
  O  O17  1  0.578  0.757  0.051  1.0
  O  O18  1  0.001  0.779  0.264  1.0
  O  O19  1  0.414  0.779  0.454  1.0
[/CIF]
.