The material structure described by K6Co2O7 crystallizes in the monoclinic P2_1/c space group. There are three inequivalent K sites. In the first K site, K(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), two equivalent O(3), and two equivalent O(4) atoms. In the second K site, K(2) is bonded in a 5-coordinate geometry to one O(1), one O(3), one O(4), and two equivalent O(2) atoms. In the third K site, K(3) is bonded in a 6-coordinate geometry to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. Co(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form corner-sharing CoO4 tetrahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted octahedral geometry to two equivalent K(1), two equivalent K(2), and two equivalent Co(1) atoms. In the second O site, O(2) is bonded in a 1-coordinate geometry to one K(1), two equivalent K(2), two equivalent K(3), and one Co(1) atom. In the third O site, O(3) is bonded in a 6-coordinate geometry to one K(2), two equivalent K(1), two equivalent K(3), and one Co(1) atom. In the fourth O site, O(4) is bonded in a 6-coordinate geometry to one K(2), two equivalent K(1), two equivalent K(3), and one Co(1) atom. is represented by the CIF card [CIF]
data_K6Co2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.085
_cell_length_b   6.550
_cell_length_c   11.035
_cell_angle_alpha   55.990
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   544.317
_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
  K  K0  1  0.799  0.423  0.212  1.0
  K  K1  1  0.299  0.577  0.288  1.0
  K  K2  1  0.350  0.933  0.431  1.0
  K  K3  1  0.850  0.067  0.069  1.0
  K  K4  1  0.650  0.067  0.569  1.0
  K  K5  1  0.150  0.933  0.931  1.0
  K  K6  1  0.474  0.195  0.059  1.0
  K  K7  1  0.974  0.805  0.441  1.0
  K  K8  1  0.526  0.805  0.941  1.0
  K  K9  1  0.026  0.195  0.559  1.0
  K  K10  1  0.201  0.577  0.788  1.0
  K  K11  1  0.701  0.423  0.712  1.0
  Co  Co12  1  0.356  0.309  0.637  1.0
  Co  Co13  1  0.856  0.691  0.863  1.0
  Co  Co14  1  0.644  0.691  0.363  1.0
  Co  Co15  1  0.144  0.309  0.137  1.0
  O  O16  1  0.500  0.500  0.500  1.0
  O  O17  1  0.000  0.500  0.000  1.0
  O  O18  1  0.668  0.968  0.356  1.0
  O  O19  1  0.168  0.032  0.144  1.0
  O  O20  1  0.303  0.502  0.071  1.0
  O  O21  1  0.803  0.498  0.429  1.0
  O  O22  1  0.697  0.498  0.929  1.0
  O  O23  1  0.197  0.502  0.571  1.0
  O  O24  1  0.404  0.245  0.810  1.0
  O  O25  1  0.904  0.755  0.690  1.0
  O  O26  1  0.596  0.755  0.190  1.0
  O  O27  1  0.096  0.245  0.310  1.0
  O  O28  1  0.832  0.968  0.856  1.0
  O  O29  1  0.332  0.032  0.644  1.0
[/CIF]
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The material structure described by K6Co2O7 crystallizes in the monoclinic P2_1/c space group. There are three inequivalent K sites. In the first K site, K(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), two equivalent O(3), and two equivalent O(4) atoms. In the second K site, K(2) is bonded in a 5-coordinate geometry to one O(1), one O(3), one O(4), and two equivalent O(2) atoms. In the third K site, K(3) is bonded in a 6-coordinate geometry to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. Co(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form corner-sharing CoO4 tetrahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted octahedral geometry to two equivalent K(1), two equivalent K(2), and two equivalent Co(1) atoms. In the second O site, O(2) is bonded in a 1-coordinate geometry to one K(1), two equivalent K(2), two equivalent K(3), and one Co(1) atom. In the third O site, O(3) is bonded in a 6-coordinate geometry to one K(2), two equivalent K(1), two equivalent K(3), and one Co(1) atom. In the fourth O site, O(4) is bonded in a 6-coordinate geometry to one K(2), two equivalent K(1), two equivalent K(3), and one Co(1) atom. is represented by the CIF card [CIF]
data_K6Co2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.085
_cell_length_b   6.550
_cell_length_c   11.035
_cell_angle_alpha   55.990
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   544.317
_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
  K  K0  1  0.799  0.423  0.212  1.0
  K  K1  1  0.299  0.577  0.288  1.0
  K  K2  1  0.350  0.933  0.431  1.0
  K  K3  1  0.850  0.067  0.069  1.0
  K  K4  1  0.650  0.067  0.569  1.0
  K  K5  1  0.150  0.933  0.931  1.0
  K  K6  1  0.474  0.195  0.059  1.0
  K  K7  1  0.974  0.805  0.441  1.0
  K  K8  1  0.526  0.805  0.941  1.0
  K  K9  1  0.026  0.195  0.559  1.0
  K  K10  1  0.201  0.577  0.788  1.0
  K  K11  1  0.701  0.423  0.712  1.0
  Co  Co12  1  0.356  0.309  0.637  1.0
  Co  Co13  1  0.856  0.691  0.863  1.0
  Co  Co14  1  0.644  0.691  0.363  1.0
  Co  Co15  1  0.144  0.309  0.137  1.0
  O  O16  1  0.500  0.500  0.500  1.0
  O  O17  1  0.000  0.500  0.000  1.0
  O  O18  1  0.668  0.968  0.356  1.0
  O  O19  1  0.168  0.032  0.144  1.0
  O  O20  1  0.303  0.502  0.071  1.0
  O  O21  1  0.803  0.498  0.429  1.0
  O  O22  1  0.697  0.498  0.929  1.0
  O  O23  1  0.197  0.502  0.571  1.0
  O  O24  1  0.404  0.245  0.810  1.0
  O  O25  1  0.904  0.755  0.690  1.0
  O  O26  1  0.596  0.755  0.190  1.0
  O  O27  1  0.096  0.245  0.310  1.0
  O  O28  1  0.832  0.968  0.856  1.0
  O  O29  1  0.332  0.032  0.644  1.0
[/CIF]
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