The crystal structure described by Ag8SnSe6 crystallizes in the orthorhombic Pmn2_1 space group. There are five inequivalent Ag sites. In the first Ag site, Ag(1) is bonded in a 4-coordinate geometry to one Se(1), one Se(2), and two equivalent Se(5) atoms. In the second Ag site, Ag(2) is bonded in a 2-coordinate geometry to one Se(2), one Se(3), and one Se(4) atom. In the third Ag site, Ag(3) is bonded in a 3-coordinate geometry to one Se(1), one Se(4), and one Se(5) atom. In the fourth Ag site, Ag(4) is bonded in a 3-coordinate geometry to one Se(2), one Se(3), and one Se(5) atom. In the fifth Ag site, Ag(5) is bonded in a 4-coordinate geometry to one Se(1), one Se(2), one Se(4), and one Se(5) atom. Sn(1) is bonded in a tetrahedral geometry to one Se(3), one Se(4), and two equivalent Se(5) atoms. There are five inequivalent Se sites. In the first Se site, Se(1) is bonded in a 5-coordinate geometry to one Ag(1), two equivalent Ag(3), and two equivalent Ag(5) atoms. In the second Se site, Se(2) is bonded in a distorted hexagonal planar geometry to one Ag(1), one Ag(2), two equivalent Ag(4), and two equivalent Ag(5) atoms. In the third Se site, Se(3) is bonded in a distorted trigonal pyramidal geometry to one Ag(2), two equivalent Ag(4), and one Sn(1) atom. In the fourth Se site, Se(4) is bonded in a 6-coordinate geometry to one Ag(2), two equivalent Ag(3), two equivalent Ag(5), and one Sn(1) atom. In the fifth Se site, Se(5) is bonded in a 5-coordinate geometry to one Ag(1), one Ag(3), one Ag(4), one Ag(5), and one Sn(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ag8SnSe6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.836
_cell_length_b   8.055
_cell_length_c   11.067
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   698.507
_cell_formula_units_Z   2
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  0.623  0.500  0.538  1.0
  Ag  Ag1  1  0.701  0.500  0.965  1.0
  Ag  Ag2  1  0.299  0.000  0.465  1.0
  Ag  Ag3  1  0.831  0.775  0.135  1.0
  Ag  Ag4  1  0.471  0.809  0.261  1.0
  Ag  Ag5  1  0.529  0.691  0.761  1.0
  Ag  Ag6  1  0.831  0.225  0.135  1.0
  Ag  Ag7  1  0.169  0.275  0.635  1.0
  Ag  Ag8  1  0.169  0.725  0.635  1.0
  Ag  Ag9  1  0.529  0.309  0.761  1.0
  Ag  Ag10  1  0.885  0.213  0.865  1.0
  Ag  Ag11  1  0.115  0.287  0.365  1.0
  Ag  Ag12  1  0.115  0.713  0.365  1.0
  Ag  Ag13  1  0.885  0.787  0.865  1.0
  Ag  Ag14  1  0.471  0.191  0.261  1.0
  Ag  Ag15  1  0.377  0.000  0.038  1.0
  Sn  Sn16  1  0.247  0.500  0.016  1.0
  Sn  Sn17  1  0.753  0.000  0.516  1.0
  Se  Se18  1  0.291  0.500  0.499  1.0
  Se  Se19  1  0.709  0.000  0.999  1.0
  Se  Se20  1  0.810  0.500  0.743  1.0
  Se  Se21  1  0.190  0.000  0.243  1.0
  Se  Se22  1  0.506  0.500  0.153  1.0
  Se  Se23  1  0.494  0.000  0.653  1.0
  Se  Se24  1  0.003  0.500  0.167  1.0
  Se  Se25  1  0.997  0.000  0.667  1.0
  Se  Se26  1  0.244  0.241  0.889  1.0
  Se  Se27  1  0.756  0.259  0.389  1.0
  Se  Se28  1  0.756  0.741  0.389  1.0
  Se  Se29  1  0.244  0.759  0.889  1.0
[/CIF]
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The crystal structure described by Ag8SnSe6 crystallizes in the orthorhombic Pmn2_1 space group. There are five inequivalent Ag sites. In the first Ag site, Ag(1) is bonded in a 4-coordinate geometry to one Se(1), one Se(2), and two equivalent Se(5) atoms. In the second Ag site, Ag(2) is bonded in a 2-coordinate geometry to one Se(2), one Se(3), and one Se(4) atom. In the third Ag site, Ag(3) is bonded in a 3-coordinate geometry to one Se(1), one Se(4), and one Se(5) atom. In the fourth Ag site, Ag(4) is bonded in a 3-coordinate geometry to one Se(2), one Se(3), and one Se(5) atom. In the fifth Ag site, Ag(5) is bonded in a 4-coordinate geometry to one Se(1), one Se(2), one Se(4), and one Se(5) atom. Sn(1) is bonded in a tetrahedral geometry to one Se(3), one Se(4), and two equivalent Se(5) atoms. There are five inequivalent Se sites. In the first Se site, Se(1) is bonded in a 5-coordinate geometry to one Ag(1), two equivalent Ag(3), and two equivalent Ag(5) atoms. In the second Se site, Se(2) is bonded in a distorted hexagonal planar geometry to one Ag(1), one Ag(2), two equivalent Ag(4), and two equivalent Ag(5) atoms. In the third Se site, Se(3) is bonded in a distorted trigonal pyramidal geometry to one Ag(2), two equivalent Ag(4), and one Sn(1) atom. In the fourth Se site, Se(4) is bonded in a 6-coordinate geometry to one Ag(2), two equivalent Ag(3), two equivalent Ag(5), and one Sn(1) atom. In the fifth Se site, Se(5) is bonded in a 5-coordinate geometry to one Ag(1), one Ag(3), one Ag(4), one Ag(5), and one Sn(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ag8SnSe6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.836
_cell_length_b   8.055
_cell_length_c   11.067
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   698.507
_cell_formula_units_Z   2
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  0.623  0.500  0.538  1.0
  Ag  Ag1  1  0.701  0.500  0.965  1.0
  Ag  Ag2  1  0.299  0.000  0.465  1.0
  Ag  Ag3  1  0.831  0.775  0.135  1.0
  Ag  Ag4  1  0.471  0.809  0.261  1.0
  Ag  Ag5  1  0.529  0.691  0.761  1.0
  Ag  Ag6  1  0.831  0.225  0.135  1.0
  Ag  Ag7  1  0.169  0.275  0.635  1.0
  Ag  Ag8  1  0.169  0.725  0.635  1.0
  Ag  Ag9  1  0.529  0.309  0.761  1.0
  Ag  Ag10  1  0.885  0.213  0.865  1.0
  Ag  Ag11  1  0.115  0.287  0.365  1.0
  Ag  Ag12  1  0.115  0.713  0.365  1.0
  Ag  Ag13  1  0.885  0.787  0.865  1.0
  Ag  Ag14  1  0.471  0.191  0.261  1.0
  Ag  Ag15  1  0.377  0.000  0.038  1.0
  Sn  Sn16  1  0.247  0.500  0.016  1.0
  Sn  Sn17  1  0.753  0.000  0.516  1.0
  Se  Se18  1  0.291  0.500  0.499  1.0
  Se  Se19  1  0.709  0.000  0.999  1.0
  Se  Se20  1  0.810  0.500  0.743  1.0
  Se  Se21  1  0.190  0.000  0.243  1.0
  Se  Se22  1  0.506  0.500  0.153  1.0
  Se  Se23  1  0.494  0.000  0.653  1.0
  Se  Se24  1  0.003  0.500  0.167  1.0
  Se  Se25  1  0.997  0.000  0.667  1.0
  Se  Se26  1  0.244  0.241  0.889  1.0
  Se  Se27  1  0.756  0.259  0.389  1.0
  Se  Se28  1  0.756  0.741  0.389  1.0
  Se  Se29  1  0.244  0.759  0.889  1.0
[/CIF]
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