The material described by CsCoO2 crystallizes in the orthorhombic Cmce space group. Cs(1) is bonded in a 6-coordinate geometry to two equivalent O(2) and four equivalent O(1) atoms. Co(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form a mixture of corner and edge-sharing CoO4 tetrahedra. There are two inequivalent O sites. In the first O site, O(2) is bonded in a distorted bent 150 degrees geometry to two equivalent Cs(1) and two equivalent Co(1) atoms. In the second O site, O(1) is bonded to four equivalent Cs(1) and two equivalent Co(1) atoms to form a mixture of distorted corner and edge-sharing OCs4Co2 octahedra. The corner-sharing octahedral tilt angles range from 29-53°. is represented by the CIF file [CIF]
data_CsCoO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.055
_cell_length_b   6.865
_cell_length_c   8.199
_cell_angle_alpha   89.999
_cell_angle_beta   90.000
_cell_angle_gamma   116.152
_symmetry_Int_Tables_number   1
_cell_volume   305.892
_cell_formula_units_Z   4
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  0.164  0.328  0.567  1.0
  Cs  Cs1  1  0.836  0.672  0.433  1.0
  Cs  Cs2  1  0.336  0.672  0.067  1.0
  Cs  Cs3  1  0.664  0.328  0.933  1.0
  Co  Co4  1  0.456  0.911  0.639  1.0
  Co  Co5  1  0.544  0.089  0.361  1.0
  Co  Co6  1  0.044  0.089  0.139  1.0
  Co  Co7  1  0.956  0.911  0.861  1.0
  O  O8  1  0.102  0.203  0.925  1.0
  O  O9  1  0.898  0.797  0.075  1.0
  O  O10  1  0.398  0.797  0.425  1.0
  O  O11  1  0.602  0.203  0.575  1.0
  O  O12  1  0.165  0.829  0.750  1.0
  O  O13  1  0.335  0.171  0.250  1.0
  O  O14  1  0.835  0.171  0.250  1.0
  O  O15  1  0.665  0.829  0.750  1.0
[/CIF]
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The material described by CsCoO2 crystallizes in the orthorhombic Cmce space group. Cs(1) is bonded in a 6-coordinate geometry to two equivalent O(2) and four equivalent O(1) atoms. Co(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form a mixture of corner and edge-sharing CoO4 tetrahedra. There are two inequivalent O sites. In the first O site, O(2) is bonded in a distorted bent 150 degrees geometry to two equivalent Cs(1) and two equivalent Co(1) atoms. In the second O site, O(1) is bonded to four equivalent Cs(1) and two equivalent Co(1) atoms to form a mixture of distorted corner and edge-sharing OCs4Co2 octahedra. The corner-sharing octahedral tilt angles range from 29-53°. is represented by the CIF file [CIF]
data_CsCoO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.055
_cell_length_b   6.865
_cell_length_c   8.199
_cell_angle_alpha   89.999
_cell_angle_beta   90.000
_cell_angle_gamma   116.152
_symmetry_Int_Tables_number   1
_cell_volume   305.892
_cell_formula_units_Z   4
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  0.164  0.328  0.567  1.0
  Cs  Cs1  1  0.836  0.672  0.433  1.0
  Cs  Cs2  1  0.336  0.672  0.067  1.0
  Cs  Cs3  1  0.664  0.328  0.933  1.0
  Co  Co4  1  0.456  0.911  0.639  1.0
  Co  Co5  1  0.544  0.089  0.361  1.0
  Co  Co6  1  0.044  0.089  0.139  1.0
  Co  Co7  1  0.956  0.911  0.861  1.0
  O  O8  1  0.102  0.203  0.925  1.0
  O  O9  1  0.898  0.797  0.075  1.0
  O  O10  1  0.398  0.797  0.425  1.0
  O  O11  1  0.602  0.203  0.575  1.0
  O  O12  1  0.165  0.829  0.750  1.0
  O  O13  1  0.335  0.171  0.250  1.0
  O  O14  1  0.835  0.171  0.250  1.0
  O  O15  1  0.665  0.829  0.750  1.0
[/CIF]
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