The material structure described by Co7O12 crystallizes in the monoclinic C2 space group. There are six inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form a mixture of corner and edge-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles are 15°. In the second Co site, Co(2) 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 a mixture of distorted corner and edge-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles range from 14-19°. In the third Co site, Co(3) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form a mixture of corner and edge-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles are 19°. In the fourth Co site, Co(4) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form a mixture of corner and edge-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles are 14°. In the fifth Co site, Co(5) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form a mixture of corner and edge-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles are 14°. In the sixth Co site, Co(6) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form a mixture of corner and edge-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles are 14°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Co(2), one Co(3), and one Co(5) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Co(1), one Co(2), one Co(4), and one Co(6) atom. In the third O site, O(3) is bonded in a T-shaped geometry to one Co(2), one Co(3), and one Co(5) atom. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to one Co(1), one Co(2), one Co(4), and one Co(6) atom. In the fifth O site, O(5) is bonded in a T-shaped geometry to one Co(2), one Co(3), and one Co(5) atom. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to one Co(1), one Co(2), one Co(4), and one Co(6) atom. is represented by the CIF file [CIF]
data_Co7O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.964
_cell_length_b   4.964
_cell_length_c   9.623
_cell_angle_alpha   83.827
_cell_angle_beta   83.827
_cell_angle_gamma   120.717
_symmetry_Int_Tables_number   1
_cell_volume   199.001
_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  0.910  0.090  0.500  1.0
  Co  Co1  1  0.006  0.545  0.227  1.0
  Co  Co2  1  0.764  0.236  0.000  1.0
  Co  Co3  1  0.455  0.994  0.773  1.0
  Co  Co4  1  0.576  0.424  0.500  1.0
  Co  Co5  1  0.441  0.559  0.000  1.0
  Co  Co6  1  0.244  0.756  0.500  1.0
  O  O7  1  0.056  0.251  0.116  1.0
  O  O8  1  0.749  0.944  0.884  1.0
  O  O9  1  0.819  0.358  0.616  1.0
  O  O10  1  0.642  0.181  0.384  1.0
  O  O11  1  0.716  0.507  0.104  1.0
  O  O12  1  0.493  0.284  0.896  1.0
  O  O13  1  0.536  0.723  0.602  1.0
  O  O14  1  0.277  0.464  0.398  1.0
  O  O15  1  0.410  0.844  0.110  1.0
  O  O16  1  0.156  0.590  0.890  1.0
  O  O17  1  0.217  0.044  0.610  1.0
  O  O18  1  0.956  0.783  0.390  1.0
[/CIF]
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The material structure described by Co7O12 crystallizes in the monoclinic C2 space group. There are six inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form a mixture of corner and edge-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles are 15°. In the second Co site, Co(2) 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 a mixture of distorted corner and edge-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles range from 14-19°. In the third Co site, Co(3) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form a mixture of corner and edge-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles are 19°. In the fourth Co site, Co(4) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form a mixture of corner and edge-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles are 14°. In the fifth Co site, Co(5) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form a mixture of corner and edge-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles are 14°. In the sixth Co site, Co(6) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form a mixture of corner and edge-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles are 14°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Co(2), one Co(3), and one Co(5) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Co(1), one Co(2), one Co(4), and one Co(6) atom. In the third O site, O(3) is bonded in a T-shaped geometry to one Co(2), one Co(3), and one Co(5) atom. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to one Co(1), one Co(2), one Co(4), and one Co(6) atom. In the fifth O site, O(5) is bonded in a T-shaped geometry to one Co(2), one Co(3), and one Co(5) atom. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to one Co(1), one Co(2), one Co(4), and one Co(6) atom. is represented by the CIF file [CIF]
data_Co7O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.964
_cell_length_b   4.964
_cell_length_c   9.623
_cell_angle_alpha   83.827
_cell_angle_beta   83.827
_cell_angle_gamma   120.717
_symmetry_Int_Tables_number   1
_cell_volume   199.001
_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  0.910  0.090  0.500  1.0
  Co  Co1  1  0.006  0.545  0.227  1.0
  Co  Co2  1  0.764  0.236  0.000  1.0
  Co  Co3  1  0.455  0.994  0.773  1.0
  Co  Co4  1  0.576  0.424  0.500  1.0
  Co  Co5  1  0.441  0.559  0.000  1.0
  Co  Co6  1  0.244  0.756  0.500  1.0
  O  O7  1  0.056  0.251  0.116  1.0
  O  O8  1  0.749  0.944  0.884  1.0
  O  O9  1  0.819  0.358  0.616  1.0
  O  O10  1  0.642  0.181  0.384  1.0
  O  O11  1  0.716  0.507  0.104  1.0
  O  O12  1  0.493  0.284  0.896  1.0
  O  O13  1  0.536  0.723  0.602  1.0
  O  O14  1  0.277  0.464  0.398  1.0
  O  O15  1  0.410  0.844  0.110  1.0
  O  O16  1  0.156  0.590  0.890  1.0
  O  O17  1  0.217  0.044  0.610  1.0
  O  O18  1  0.956  0.783  0.390  1.0
[/CIF]
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