data_Mn(CoO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.04
_cell_length_b   6.04
_cell_length_c   6.04
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn(CoO2)2
_chemical_formula_sum   'Mn2 Co4 O8'
_cell_volume   155.88
_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
  Mn  Mn0  1  0.0  0.0  0.0  1.0
  Mn  Mn1  1  0.14  0.14  0.14  1.0
  Co  Co2  1  0.34  0.2  0.2  1.0
  Co  Co3  1  0.2  0.34  0.2  1.0
  Co  Co4  1  0.2  0.2  0.34  1.0
  Co  Co5  1  0.34  0.34  0.34  1.0
  O  O6  1  0.37  0.44  0.44  1.0
  O  O7  1  0.44  0.37  0.44  1.0
  O  O8  1  0.44  0.44  0.37  1.0
  O  O9  1  0.37  0.37  0.37  1.0
  O  O10  1  0.31  0.24  0.24  1.0
  O  O11  1  0.24  0.31  0.24  1.0
  O  O12  1  0.24  0.24  0.31  1.0
  O  O13  1  0.31  0.31  0.31  1.0

data_Mn(CoO2)2
_symmetry_space_group_name_H-M   R3m
_cell_length_a   6.04
_cell_length_b   6.04
_cell_length_c   14.8
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Mn(CoO2)2
_chemical_formula_sum   'Mn6 Co12 O24'
_cell_volume   467.63
_cell_formula_units_Z   6
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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
  Mn  Mn0  3  0.0  0.0  0.0  1.0
  Mn  Mn1  3  0.0  0.0  0.86  1.0
  Co  Co2  9  0.05  0.09  0.75  1.0
  Co  Co3  3  0.0  0.0  0.66  1.0
  O  O4  9  0.02  0.05  0.74  1.0
  O  O5  9  0.05  0.02  0.58  1.0
  O  O6  3  0.0  0.0  0.63  1.0
  O  O7  3  0.0  0.0  0.69  1.0

Mn Mn Co Co Co Co O O O O O O O O
Mn Mn Co Co Co Co O O O O O O O O 0 1 o o o 1 12 o o o 1 11 o o o 1 10 o o o 1 4 o o o 1 3 o o o 1 2 o o o 2 10 o o o 3 11 o o o 4 12 o o o 5 13 o o o 5 9 o o o 6 7 o o o 6 8 o o o 7 8 o o o 
MnCo2O4 crystallizes in the trigonal R3m space group. The structure consists of three CoO5 clusters inside a Mn2(CoO)3 framework. In each CoO5 cluster, Co(2) is bonded in a linear geometry to one O(2) and one O(4) atom. The Co(2)-O(2) bond length is 0.50 Å. The Co(2)-O(4) bond length is 0.50 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one O(2) and two equivalent O(1) atoms. The O(1)-O(2) bond length is 0.71 Å. Both O(1)-O(1) bond lengths are 0.41 Å. In the second O site, O(2) is bonded in a single-bond geometry to one Co(2) and three equivalent O(1) atoms. In the third O site, O(4) is bonded in a distorted single-bond geometry to one Co(2) atom. In the Mn2(CoO)3 framework, there are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a distorted tetrahedral geometry to one Mn(2) and three equivalent Co(1) atoms. The Mn(1)-Mn(2) bond length is 2.01 Å. All Mn(1)-Co(1) bond lengths are 3.26 Å. In the second Mn site, Mn(2) is bonded in a distorted rectangular see-saw-like geometry to one Mn(1) and three equivalent Co(1) atoms. All Mn(2)-Co(1) bond lengths are 1.74 Å. Co(1) is bonded in a single-bond geometry to one Mn(1), one Mn(2), and one O(3) atom. The Co(1)-O(3) bond length is 0.29 Å. O(3) is bonded in a single-bond geometry to one Co(1) atom.