The material structure described by AgCrSe2 is Ilmenite-like structured and crystallizes in the trigonal R3m space group. Cr(1) is bonded to three equivalent Se(1) and three equivalent Se(2) atoms to form edge-sharing CrSe6 octahedra. Ag(1) is bonded in a distorted rectangular see-saw-like geometry to one Se(1) and three equivalent Se(2) atoms. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded to three equivalent Cr(1) and one Ag(1) atom to form distorted corner-sharing SeCr3Ag trigonal pyramids. In the second Se site, Se(2) is bonded in a 6-coordinate geometry to three equivalent Cr(1) and three equivalent Ag(1) atoms. is represented by the CIF file [CIF]
data_CrAgSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.341
_cell_length_b   7.341
_cell_length_c   7.341
_cell_angle_alpha   29.475
_cell_angle_beta   29.475
_cell_angle_gamma   29.475
_symmetry_Int_Tables_number   1
_cell_volume   84.783
_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
  Cr  Cr0  1  1.000  1.000  1.000  1.0
  Ag  Ag1  1  0.151  0.151  0.151  1.0
  Se  Se2  1  0.271  0.271  0.271  1.0
  Se  Se3  1  0.734  0.734  0.734  1.0
[/CIF]
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The material structure described by AgCrSe2 is Ilmenite-like structured and crystallizes in the trigonal R3m space group. Cr(1) is bonded to three equivalent Se(1) and three equivalent Se(2) atoms to form edge-sharing CrSe6 octahedra. Ag(1) is bonded in a distorted rectangular see-saw-like geometry to one Se(1) and three equivalent Se(2) atoms. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded to three equivalent Cr(1) and one Ag(1) atom to form distorted corner-sharing SeCr3Ag trigonal pyramids. In the second Se site, Se(2) is bonded in a 6-coordinate geometry to three equivalent Cr(1) and three equivalent Ag(1) atoms. is represented by the CIF file [CIF]
data_CrAgSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.341
_cell_length_b   7.341
_cell_length_c   7.341
_cell_angle_alpha   29.475
_cell_angle_beta   29.475
_cell_angle_gamma   29.475
_symmetry_Int_Tables_number   1
_cell_volume   84.783
_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
  Cr  Cr0  1  1.000  1.000  1.000  1.0
  Ag  Ag1  1  0.151  0.151  0.151  1.0
  Se  Se2  1  0.271  0.271  0.271  1.0
  Se  Se3  1  0.734  0.734  0.734  1.0
[/CIF]
.