The crystal structure described by AgSe3I crystallizes in the orthorhombic Pmna space group. Ag(1) is bonded to two equivalent Se(1) and two equivalent I(1) atoms to form corner-sharing AgSe2I2 tetrahedra. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded in a 3-coordinate geometry to one Ag(1), one Se(1), and one Se(2) atom. In the second Se site, Se(2) is bonded in a water-like geometry to two equivalent Se(1) atoms. I(1) is bonded in a bent 120 degrees geometry to two equivalent Ag(1) atoms. is represented by the CIF card [CIF]
data_AgSe3I
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.102
_cell_length_b   8.251
_cell_length_c   15.050
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   633.527
_cell_formula_units_Z   4
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
  Ag  Ag0  1  0.698  0.250  0.750  1.0
  Ag  Ag1  1  0.302  0.750  0.250  1.0
  Ag  Ag2  1  0.302  0.750  0.750  1.0
  Ag  Ag3  1  0.698  0.250  0.250  1.0
  Se  Se4  1  0.386  0.370  0.621  1.0
  Se  Se5  1  0.614  0.870  0.879  1.0
  Se  Se6  1  0.601  0.261  0.000  1.0
  Se  Se7  1  0.614  0.870  0.121  1.0
  Se  Se8  1  0.399  0.739  0.000  1.0
  Se  Se9  1  0.614  0.630  0.621  1.0
  Se  Se10  1  0.386  0.370  0.379  1.0
  Se  Se11  1  0.601  0.239  0.500  1.0
  Se  Se12  1  0.399  0.761  0.500  1.0
  Se  Se13  1  0.614  0.630  0.379  1.0
  Se  Se14  1  0.386  0.130  0.121  1.0
  Se  Se15  1  0.386  0.130  0.879  1.0
  I  I16  1  0.000  0.500  0.166  1.0
  I  I17  1  0.000  0.000  0.334  1.0
  I  I18  1  0.000  0.000  0.666  1.0
  I  I19  1  0.000  0.500  0.834  1.0
[/CIF]
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The crystal structure described by AgSe3I crystallizes in the orthorhombic Pmna space group. Ag(1) is bonded to two equivalent Se(1) and two equivalent I(1) atoms to form corner-sharing AgSe2I2 tetrahedra. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded in a 3-coordinate geometry to one Ag(1), one Se(1), and one Se(2) atom. In the second Se site, Se(2) is bonded in a water-like geometry to two equivalent Se(1) atoms. I(1) is bonded in a bent 120 degrees geometry to two equivalent Ag(1) atoms. is represented by the CIF card [CIF]
data_AgSe3I
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.102
_cell_length_b   8.251
_cell_length_c   15.050
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   633.527
_cell_formula_units_Z   4
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
  Ag  Ag0  1  0.698  0.250  0.750  1.0
  Ag  Ag1  1  0.302  0.750  0.250  1.0
  Ag  Ag2  1  0.302  0.750  0.750  1.0
  Ag  Ag3  1  0.698  0.250  0.250  1.0
  Se  Se4  1  0.386  0.370  0.621  1.0
  Se  Se5  1  0.614  0.870  0.879  1.0
  Se  Se6  1  0.601  0.261  0.000  1.0
  Se  Se7  1  0.614  0.870  0.121  1.0
  Se  Se8  1  0.399  0.739  0.000  1.0
  Se  Se9  1  0.614  0.630  0.621  1.0
  Se  Se10  1  0.386  0.370  0.379  1.0
  Se  Se11  1  0.601  0.239  0.500  1.0
  Se  Se12  1  0.399  0.761  0.500  1.0
  Se  Se13  1  0.614  0.630  0.379  1.0
  Se  Se14  1  0.386  0.130  0.121  1.0
  Se  Se15  1  0.386  0.130  0.879  1.0
  I  I16  1  0.000  0.500  0.166  1.0
  I  I17  1  0.000  0.000  0.334  1.0
  I  I18  1  0.000  0.000  0.666  1.0
  I  I19  1  0.000  0.500  0.834  1.0
[/CIF]
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