The structure described by Na5CoCO5 crystallizes in the orthorhombic Pmm2 space group. There are three inequivalent Na sites. In the first Na site, Na(1) is bonded in a see-saw-like geometry to two equivalent O(1) and two equivalent O(3) atoms. In the second Na site, Na(2) is bonded in a distorted rectangular see-saw-like geometry to one O(2), one O(3), and two equivalent O(1) atoms. In the third Na site, Na(3) is bonded in a rectangular see-saw-like geometry to two equivalent O(1) and two equivalent O(2) atoms. Co(1) is bonded in a linear geometry to two equivalent O(1) atoms. C(1) is bonded in a trigonal planar geometry to one O(2) and two equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Na(3), two equivalent Na(1), two equivalent Na(2), and one Co(1) atom to form corner-sharing ONa5Co octahedra. The corner-sharing octahedral tilt angles range from 0-11°. In the second O site, O(2) is bonded in a 5-coordinate geometry to two equivalent Na(2), two equivalent Na(3), and one C(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Na(2), two equivalent Na(1), and one C(1) atom. is represented by the CIF card [CIF]
data_Na5CoCO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.956
_cell_length_b   4.524
_cell_length_c   8.340
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   187.004
_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
  Na  Na0  1  0.505  0.000  0.776  1.0
  Na  Na1  1  0.993  0.500  0.762  1.0
  Na  Na2  1  0.505  0.000  0.224  1.0
  Na  Na3  1  0.993  0.500  0.238  1.0
  Na  Na4  1  0.986  0.000  0.500  1.0
  Co  Co5  1  0.004  0.000  0.000  1.0
  C  C6  1  0.426  0.500  0.500  1.0
  O  O7  1  0.005  0.000  0.788  1.0
  O  O8  1  0.005  0.000  0.212  1.0
  O  O9  1  0.163  0.500  0.500  1.0
  O  O10  1  0.555  0.500  0.637  1.0
  O  O11  1  0.555  0.500  0.363  1.0
[/CIF]
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The structure described by Na5CoCO5 crystallizes in the orthorhombic Pmm2 space group. There are three inequivalent Na sites. In the first Na site, Na(1) is bonded in a see-saw-like geometry to two equivalent O(1) and two equivalent O(3) atoms. In the second Na site, Na(2) is bonded in a distorted rectangular see-saw-like geometry to one O(2), one O(3), and two equivalent O(1) atoms. In the third Na site, Na(3) is bonded in a rectangular see-saw-like geometry to two equivalent O(1) and two equivalent O(2) atoms. Co(1) is bonded in a linear geometry to two equivalent O(1) atoms. C(1) is bonded in a trigonal planar geometry to one O(2) and two equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Na(3), two equivalent Na(1), two equivalent Na(2), and one Co(1) atom to form corner-sharing ONa5Co octahedra. The corner-sharing octahedral tilt angles range from 0-11°. In the second O site, O(2) is bonded in a 5-coordinate geometry to two equivalent Na(2), two equivalent Na(3), and one C(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Na(2), two equivalent Na(1), and one C(1) atom. is represented by the CIF card [CIF]
data_Na5CoCO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.956
_cell_length_b   4.524
_cell_length_c   8.340
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   187.004
_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
  Na  Na0  1  0.505  0.000  0.776  1.0
  Na  Na1  1  0.993  0.500  0.762  1.0
  Na  Na2  1  0.505  0.000  0.224  1.0
  Na  Na3  1  0.993  0.500  0.238  1.0
  Na  Na4  1  0.986  0.000  0.500  1.0
  Co  Co5  1  0.004  0.000  0.000  1.0
  C  C6  1  0.426  0.500  0.500  1.0
  O  O7  1  0.005  0.000  0.788  1.0
  O  O8  1  0.005  0.000  0.212  1.0
  O  O9  1  0.163  0.500  0.500  1.0
  O  O10  1  0.555  0.500  0.637  1.0
  O  O11  1  0.555  0.500  0.363  1.0
[/CIF]
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