The material described by NaCrSe2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. Na(1) is bonded to six equivalent Se(1) atoms to form distorted NaSe6 octahedra that share corners with six equivalent Cr(1)Se6 octahedra, edges with six equivalent Na(1)Se6 octahedra, and edges with six equivalent Cr(1)Se6 octahedra. The corner-sharing octahedral tilt angles are 11°. Cr(1) is bonded to six equivalent Se(1) atoms to form CrSe6 octahedra that share corners with six equivalent Na(1)Se6 octahedra, edges with six equivalent Na(1)Se6 octahedra, and edges with six equivalent Cr(1)Se6 octahedra. The corner-sharing octahedral tilt angles are 11°. Se(1) is bonded to three equivalent Na(1) and three equivalent Cr(1) atoms to form a mixture of corner and edge-sharing SeNa3Cr3 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF file [CIF]
data_NaCrSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.106
_cell_length_b   7.106
_cell_length_c   7.106
_cell_angle_alpha   30.666
_cell_angle_beta   30.666
_cell_angle_gamma   30.666
_symmetry_Int_Tables_number   1
_cell_volume   82.744
_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  0.500  0.500  1.0
  Cr  Cr1  1  0.000  0.000  0.000  1.0
  Se  Se2  1  0.266  0.266  0.266  1.0
  Se  Se3  1  0.734  0.734  0.734  1.0
[/CIF]
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The material described by NaCrSe2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. Na(1) is bonded to six equivalent Se(1) atoms to form distorted NaSe6 octahedra that share corners with six equivalent Cr(1)Se6 octahedra, edges with six equivalent Na(1)Se6 octahedra, and edges with six equivalent Cr(1)Se6 octahedra. The corner-sharing octahedral tilt angles are 11°. Cr(1) is bonded to six equivalent Se(1) atoms to form CrSe6 octahedra that share corners with six equivalent Na(1)Se6 octahedra, edges with six equivalent Na(1)Se6 octahedra, and edges with six equivalent Cr(1)Se6 octahedra. The corner-sharing octahedral tilt angles are 11°. Se(1) is bonded to three equivalent Na(1) and three equivalent Cr(1) atoms to form a mixture of corner and edge-sharing SeNa3Cr3 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF file [CIF]
data_NaCrSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.106
_cell_length_b   7.106
_cell_length_c   7.106
_cell_angle_alpha   30.666
_cell_angle_beta   30.666
_cell_angle_gamma   30.666
_symmetry_Int_Tables_number   1
_cell_volume   82.744
_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  0.500  0.500  1.0
  Cr  Cr1  1  0.000  0.000  0.000  1.0
  Se  Se2  1  0.266  0.266  0.266  1.0
  Se  Se3  1  0.734  0.734  0.734  1.0
[/CIF]
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