The material described by NiAgSe2 is Ilmenite-like structured and crystallizes in the trigonal R3m space group. Ni(1) is bonded to three equivalent Se(1) and three equivalent Se(2) atoms to form edge-sharing NiSe6 octahedra. Ag(1) is bonded in a 4-coordinate 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 Ni(1) and one Ag(1) atom to form distorted corner-sharing SeNi3Ag tetrahedra. In the second Se site, Se(2) is bonded in a 6-coordinate geometry to three equivalent Ni(1) and three equivalent Ag(1) atoms. is represented by the CIF file [CIF]
data_NiAgSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.641
_cell_length_b   3.641
_cell_length_c   7.233
_cell_angle_alpha   75.420
_cell_angle_beta   75.420
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   79.464
_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
  Ni  Ni0  1  0.997  0.997  0.009  1.0
  Ag  Ag1  1  0.149  0.149  0.553  1.0
  Se  Se2  1  0.272  0.272  0.183  1.0
  Se  Se3  1  0.726  0.726  0.823  1.0
[/CIF]
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The material described by NiAgSe2 is Ilmenite-like structured and crystallizes in the trigonal R3m space group. Ni(1) is bonded to three equivalent Se(1) and three equivalent Se(2) atoms to form edge-sharing NiSe6 octahedra. Ag(1) is bonded in a 4-coordinate 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 Ni(1) and one Ag(1) atom to form distorted corner-sharing SeNi3Ag tetrahedra. In the second Se site, Se(2) is bonded in a 6-coordinate geometry to three equivalent Ni(1) and three equivalent Ag(1) atoms. is represented by the CIF file [CIF]
data_NiAgSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.641
_cell_length_b   3.641
_cell_length_c   7.233
_cell_angle_alpha   75.420
_cell_angle_beta   75.420
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   79.464
_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
  Ni  Ni0  1  0.997  0.997  0.009  1.0
  Ag  Ag1  1  0.149  0.149  0.553  1.0
  Se  Se2  1  0.272  0.272  0.183  1.0
  Se  Se3  1  0.726  0.726  0.823  1.0
[/CIF]
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