The compound described by ScAgSe2 is Modderite-derived structured and crystallizes in the trigonal P-3m1 space group. Sc(1) is bonded to six equivalent Se(1) atoms to form ScSe6 octahedra that share corners with twelve equivalent Ag(1)Se6 octahedra, edges with six equivalent Sc(1)Se6 octahedra, and faces with two equivalent Ag(1)Se6 octahedra. The corner-sharing octahedral tilt angles are 48°. Ag(1) is bonded to six equivalent Se(1) atoms to form distorted AgSe6 octahedra that share corners with twelve equivalent Sc(1)Se6 octahedra, edges with six equivalent Ag(1)Se6 octahedra, and faces with two equivalent Sc(1)Se6 octahedra. The corner-sharing octahedral tilt angles are 48°. Se(1) is bonded in a 6-coordinate geometry to three equivalent Sc(1) and three equivalent Ag(1) atoms. is represented by the CIF file [CIF]
data_ScAgSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.906
_cell_length_b   3.906
_cell_length_c   6.610
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   87.323
_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
  Sc  Sc0  1  0.000  0.000  0.000  1.0
  Ag  Ag1  1  0.000  0.000  0.500  1.0
  Se  Se2  1  0.333  0.667  0.232  1.0
  Se  Se3  1  0.667  0.333  0.768  1.0
[/CIF]
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The compound described by ScAgSe2 is Modderite-derived structured and crystallizes in the trigonal P-3m1 space group. Sc(1) is bonded to six equivalent Se(1) atoms to form ScSe6 octahedra that share corners with twelve equivalent Ag(1)Se6 octahedra, edges with six equivalent Sc(1)Se6 octahedra, and faces with two equivalent Ag(1)Se6 octahedra. The corner-sharing octahedral tilt angles are 48°. Ag(1) is bonded to six equivalent Se(1) atoms to form distorted AgSe6 octahedra that share corners with twelve equivalent Sc(1)Se6 octahedra, edges with six equivalent Ag(1)Se6 octahedra, and faces with two equivalent Sc(1)Se6 octahedra. The corner-sharing octahedral tilt angles are 48°. Se(1) is bonded in a 6-coordinate geometry to three equivalent Sc(1) and three equivalent Ag(1) atoms. is represented by the CIF file [CIF]
data_ScAgSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.906
_cell_length_b   3.906
_cell_length_c   6.610
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   87.323
_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
  Sc  Sc0  1  0.000  0.000  0.000  1.0
  Ag  Ag1  1  0.000  0.000  0.500  1.0
  Se  Se2  1  0.333  0.667  0.232  1.0
  Se  Se3  1  0.667  0.333  0.768  1.0
[/CIF]
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