The compound described by Na4SeS is Fluorite-derived structured and crystallizes in the tetragonal P4/mmm space group. Na(1) is bonded to two equivalent Se(1) and two equivalent S(1) atoms to form a mixture of corner and edge-sharing NaSe2S2 tetrahedra. Se(1) is bonded in a body-centered cubic geometry to eight equivalent Na(1) atoms. S(1) is bonded in a body-centered cubic geometry to eight equivalent Na(1) atoms. is represented by the CIF card [CIF]
data_Na4SeS
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.693
_cell_length_b   4.693
_cell_length_c   6.651
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   146.443
_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  0.500  0.000  0.757  1.0
  Na  Na1  1  0.000  0.500  0.243  1.0
  Na  Na2  1  0.500  0.000  0.243  1.0
  Na  Na3  1  0.000  0.500  0.757  1.0
  Se  Se4  1  0.500  0.500  0.500  1.0
  S  S5  1  0.000  0.000  0.000  1.0
[/CIF]
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The compound described by Na4SeS is Fluorite-derived structured and crystallizes in the tetragonal P4/mmm space group. Na(1) is bonded to two equivalent Se(1) and two equivalent S(1) atoms to form a mixture of corner and edge-sharing NaSe2S2 tetrahedra. Se(1) is bonded in a body-centered cubic geometry to eight equivalent Na(1) atoms. S(1) is bonded in a body-centered cubic geometry to eight equivalent Na(1) atoms. is represented by the CIF card [CIF]
data_Na4SeS
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.693
_cell_length_b   4.693
_cell_length_c   6.651
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   146.443
_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  0.500  0.000  0.757  1.0
  Na  Na1  1  0.000  0.500  0.243  1.0
  Na  Na2  1  0.500  0.000  0.243  1.0
  Na  Na3  1  0.000  0.500  0.757  1.0
  Se  Se4  1  0.500  0.500  0.500  1.0
  S  S5  1  0.000  0.000  0.000  1.0
[/CIF]
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