The material described by Na5Co2S5 crystallizes in the tetragonal I4mm space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 5-coordinate geometry to one S(2) and four equivalent S(1) atoms. In the second Na site, Na(2) is bonded to two equivalent S(2) and four equivalent S(1) atoms to form NaS6 octahedra that share corners with two equivalent Na(2)S6 octahedra and corners with eight equivalent Co(1)S4 tetrahedra. The corner-sharing octahedra are not tilted. Co(1) is bonded to four equivalent S(1) atoms to form CoS4 tetrahedra that share corners with four equivalent Na(2)S6 octahedra and edges with two equivalent Co(1)S4 tetrahedra. The corner-sharing octahedral tilt angles range from 34-45°. There are two inequivalent S sites. In the first S site, S(1) is bonded to one Na(2), four equivalent Na(1), and two equivalent Co(1) atoms to form distorted SNa5Co2 pentagonal bipyramids that share corners with three equivalent S(2)Na6 octahedra, corners with five equivalent S(1)Na5Co2 pentagonal bipyramids, edges with five equivalent S(1)Na5Co2 pentagonal bipyramids,  a faceface with one S(2)Na6 octahedra, and faces with two equivalent S(1)Na5Co2 pentagonal bipyramids. The corner-sharing octahedral tilt angles range from 54-84°. In the second S site, S(2) is bonded to two equivalent Na(2) and four equivalent Na(1) atoms to form distorted SNa6 octahedra that share corners with two equivalent S(2)Na6 octahedra, corners with twelve equivalent S(1)Na5Co2 pentagonal bipyramids, and faces with four equivalent S(1)Na5Co2 pentagonal bipyramids. The corner-sharing octahedra are not tilted. is represented by the CIF file [CIF]
data_Na5Co2S5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.188
_cell_length_b   7.188
_cell_length_c   7.188
_cell_angle_alpha   98.494
_cell_angle_beta   98.494
_cell_angle_gamma   134.797
_symmetry_Int_Tables_number   1
_cell_volume   243.332
_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  0.154  0.546  0.000  1.0
  Na  Na1  1  0.546  0.154  0.000  1.0
  Na  Na2  1  0.154  0.154  0.608  1.0
  Na  Na3  1  0.546  0.546  0.392  1.0
  Na  Na4  1  0.931  0.931  0.000  1.0
  Co  Co5  1  0.236  0.736  0.500  1.0
  Co  Co6  1  0.736  0.236  0.500  1.0
  S  S7  1  0.986  0.666  0.681  1.0
  S  S8  1  0.986  0.305  0.319  1.0
  S  S9  1  0.666  0.986  0.681  1.0
  S  S10  1  0.446  0.446  0.000  1.0
  S  S11  1  0.305  0.986  0.319  1.0
[/CIF]
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The material described by Na5Co2S5 crystallizes in the tetragonal I4mm space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 5-coordinate geometry to one S(2) and four equivalent S(1) atoms. In the second Na site, Na(2) is bonded to two equivalent S(2) and four equivalent S(1) atoms to form NaS6 octahedra that share corners with two equivalent Na(2)S6 octahedra and corners with eight equivalent Co(1)S4 tetrahedra. The corner-sharing octahedra are not tilted. Co(1) is bonded to four equivalent S(1) atoms to form CoS4 tetrahedra that share corners with four equivalent Na(2)S6 octahedra and edges with two equivalent Co(1)S4 tetrahedra. The corner-sharing octahedral tilt angles range from 34-45°. There are two inequivalent S sites. In the first S site, S(1) is bonded to one Na(2), four equivalent Na(1), and two equivalent Co(1) atoms to form distorted SNa5Co2 pentagonal bipyramids that share corners with three equivalent S(2)Na6 octahedra, corners with five equivalent S(1)Na5Co2 pentagonal bipyramids, edges with five equivalent S(1)Na5Co2 pentagonal bipyramids,  a faceface with one S(2)Na6 octahedra, and faces with two equivalent S(1)Na5Co2 pentagonal bipyramids. The corner-sharing octahedral tilt angles range from 54-84°. In the second S site, S(2) is bonded to two equivalent Na(2) and four equivalent Na(1) atoms to form distorted SNa6 octahedra that share corners with two equivalent S(2)Na6 octahedra, corners with twelve equivalent S(1)Na5Co2 pentagonal bipyramids, and faces with four equivalent S(1)Na5Co2 pentagonal bipyramids. The corner-sharing octahedra are not tilted. is represented by the CIF file [CIF]
data_Na5Co2S5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.188
_cell_length_b   7.188
_cell_length_c   7.188
_cell_angle_alpha   98.494
_cell_angle_beta   98.494
_cell_angle_gamma   134.797
_symmetry_Int_Tables_number   1
_cell_volume   243.332
_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  0.154  0.546  0.000  1.0
  Na  Na1  1  0.546  0.154  0.000  1.0
  Na  Na2  1  0.154  0.154  0.608  1.0
  Na  Na3  1  0.546  0.546  0.392  1.0
  Na  Na4  1  0.931  0.931  0.000  1.0
  Co  Co5  1  0.236  0.736  0.500  1.0
  Co  Co6  1  0.736  0.236  0.500  1.0
  S  S7  1  0.986  0.666  0.681  1.0
  S  S8  1  0.986  0.305  0.319  1.0
  S  S9  1  0.666  0.986  0.681  1.0
  S  S10  1  0.446  0.446  0.000  1.0
  S  S11  1  0.305  0.986  0.319  1.0
[/CIF]
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