The crystal structure described by Cs6Co2O7 crystallizes in the monoclinic P2_1/c space group. There are three inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 6-coordinate geometry to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms. In the second Cs site, Cs(2) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), and three equivalent O(4) atoms. In the third Cs site, Cs(3) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), 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 single-bond geometry to one Cs(2), two equivalent Cs(1), two equivalent Cs(3), and one Co(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Cs(2), two equivalent Cs(1), two equivalent Cs(3), and one Co(1) atom. In the third O site, O(3) is bonded in a distorted linear geometry to two equivalent Cs(1), two equivalent Cs(2), and two equivalent Co(1) atoms. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Cs(1), two equivalent Cs(3), three equivalent Cs(2), and one Co(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cs6Co2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.826
_cell_length_b   7.254
_cell_length_c   12.131
_cell_angle_alpha   54.370
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   702.784
_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
  Cs  Cs0  1  0.290  0.913  0.716  1.0
  Cs  Cs1  1  0.855  0.448  0.919  1.0
  Cs  Cs2  1  0.973  0.697  0.556  1.0
  Cs  Cs3  1  0.473  0.303  0.944  1.0
  Cs  Cs4  1  0.210  0.913  0.216  1.0
  Cs  Cs5  1  0.355  0.552  0.581  1.0
  Cs  Cs6  1  0.645  0.448  0.419  1.0
  Cs  Cs7  1  0.790  0.087  0.784  1.0
  Cs  Cs8  1  0.527  0.697  0.056  1.0
  Cs  Cs9  1  0.027  0.303  0.444  1.0
  Cs  Cs10  1  0.145  0.552  0.081  1.0
  Cs  Cs11  1  0.710  0.087  0.284  1.0
  Co  Co12  1  0.635  0.825  0.630  1.0
  Co  Co13  1  0.135  0.175  0.870  1.0
  Co  Co14  1  0.865  0.825  0.130  1.0
  Co  Co15  1  0.365  0.175  0.370  1.0
  O  O16  1  0.286  0.005  0.929  1.0
  O  O17  1  0.587  0.766  0.789  1.0
  O  O18  1  0.500  0.000  0.500  1.0
  O  O19  1  0.214  0.005  0.429  1.0
  O  O20  1  0.161  0.432  0.857  1.0
  O  O21  1  0.661  0.568  0.643  1.0
  O  O22  1  0.913  0.766  0.289  1.0
  O  O23  1  0.000  0.000  0.000  1.0
  O  O24  1  0.087  0.234  0.711  1.0
  O  O25  1  0.339  0.432  0.357  1.0
  O  O26  1  0.839  0.568  0.143  1.0
  O  O27  1  0.786  0.995  0.571  1.0
  O  O28  1  0.413  0.234  0.211  1.0
  O  O29  1  0.714  0.995  0.071  1.0
[/CIF]
.
The crystal structure described by Cs6Co2O7 crystallizes in the monoclinic P2_1/c space group. There are three inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 6-coordinate geometry to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms. In the second Cs site, Cs(2) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), and three equivalent O(4) atoms. In the third Cs site, Cs(3) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), 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 single-bond geometry to one Cs(2), two equivalent Cs(1), two equivalent Cs(3), and one Co(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Cs(2), two equivalent Cs(1), two equivalent Cs(3), and one Co(1) atom. In the third O site, O(3) is bonded in a distorted linear geometry to two equivalent Cs(1), two equivalent Cs(2), and two equivalent Co(1) atoms. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Cs(1), two equivalent Cs(3), three equivalent Cs(2), and one Co(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cs6Co2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.826
_cell_length_b   7.254
_cell_length_c   12.131
_cell_angle_alpha   54.370
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   702.784
_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
  Cs  Cs0  1  0.290  0.913  0.716  1.0
  Cs  Cs1  1  0.855  0.448  0.919  1.0
  Cs  Cs2  1  0.973  0.697  0.556  1.0
  Cs  Cs3  1  0.473  0.303  0.944  1.0
  Cs  Cs4  1  0.210  0.913  0.216  1.0
  Cs  Cs5  1  0.355  0.552  0.581  1.0
  Cs  Cs6  1  0.645  0.448  0.419  1.0
  Cs  Cs7  1  0.790  0.087  0.784  1.0
  Cs  Cs8  1  0.527  0.697  0.056  1.0
  Cs  Cs9  1  0.027  0.303  0.444  1.0
  Cs  Cs10  1  0.145  0.552  0.081  1.0
  Cs  Cs11  1  0.710  0.087  0.284  1.0
  Co  Co12  1  0.635  0.825  0.630  1.0
  Co  Co13  1  0.135  0.175  0.870  1.0
  Co  Co14  1  0.865  0.825  0.130  1.0
  Co  Co15  1  0.365  0.175  0.370  1.0
  O  O16  1  0.286  0.005  0.929  1.0
  O  O17  1  0.587  0.766  0.789  1.0
  O  O18  1  0.500  0.000  0.500  1.0
  O  O19  1  0.214  0.005  0.429  1.0
  O  O20  1  0.161  0.432  0.857  1.0
  O  O21  1  0.661  0.568  0.643  1.0
  O  O22  1  0.913  0.766  0.289  1.0
  O  O23  1  0.000  0.000  0.000  1.0
  O  O24  1  0.087  0.234  0.711  1.0
  O  O25  1  0.339  0.432  0.357  1.0
  O  O26  1  0.839  0.568  0.143  1.0
  O  O27  1  0.786  0.995  0.571  1.0
  O  O28  1  0.413  0.234  0.211  1.0
  O  O29  1  0.714  0.995  0.071  1.0
[/CIF]
.