The material structure described by KAg3Se2 crystallizes in the monoclinic C2/m space group. K(1) is bonded in a 7-coordinate geometry to three equivalent Se(2) and four equivalent Se(1) atoms. There are three inequivalent Ag sites. In the first Ag site, Ag(1) is bonded in a distorted trigonal planar geometry to one Se(2) and two equivalent Se(1) atoms. In the second Ag site, Ag(2) is bonded in a distorted water-like geometry to one Se(1) and three equivalent Se(2) atoms. In the third Ag site, Ag(3) is bonded in a distorted trigonal non-coplanar geometry to one Se(1) and two equivalent Se(2) atoms. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded in a 8-coordinate geometry to four equivalent K(1), one Ag(2), one Ag(3), and two equivalent Ag(1) atoms. In the second Se site, Se(2) is bonded in a 9-coordinate geometry to three equivalent K(1), one Ag(1), two equivalent Ag(3), and three equivalent Ag(2) atoms. is represented by the CIF card [CIF]
data_KAg3Se2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.366
_cell_length_b   8.557
_cell_length_c   8.895
_cell_angle_alpha   114.249
_cell_angle_beta   90.000
_cell_angle_gamma   104.781
_symmetry_Int_Tables_number   1
_cell_volume   290.937
_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
  K  K0  1  0.864  0.728  0.949  1.0
  K  K1  1  0.136  0.272  0.051  1.0
  Ag  Ag2  1  0.944  0.887  0.597  1.0
  Ag  Ag3  1  0.056  0.113  0.403  1.0
  Ag  Ag4  1  0.312  0.625  0.563  1.0
  Ag  Ag5  1  0.688  0.375  0.437  1.0
  Ag  Ag6  1  0.408  0.816  0.355  1.0
  Ag  Ag7  1  0.592  0.184  0.645  1.0
  Se  Se8  1  0.515  0.030  0.209  1.0
  Se  Se9  1  0.485  0.970  0.791  1.0
  Se  Se10  1  0.797  0.594  0.294  1.0
  Se  Se11  1  0.203  0.406  0.706  1.0
[/CIF]
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The material structure described by KAg3Se2 crystallizes in the monoclinic C2/m space group. K(1) is bonded in a 7-coordinate geometry to three equivalent Se(2) and four equivalent Se(1) atoms. There are three inequivalent Ag sites. In the first Ag site, Ag(1) is bonded in a distorted trigonal planar geometry to one Se(2) and two equivalent Se(1) atoms. In the second Ag site, Ag(2) is bonded in a distorted water-like geometry to one Se(1) and three equivalent Se(2) atoms. In the third Ag site, Ag(3) is bonded in a distorted trigonal non-coplanar geometry to one Se(1) and two equivalent Se(2) atoms. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded in a 8-coordinate geometry to four equivalent K(1), one Ag(2), one Ag(3), and two equivalent Ag(1) atoms. In the second Se site, Se(2) is bonded in a 9-coordinate geometry to three equivalent K(1), one Ag(1), two equivalent Ag(3), and three equivalent Ag(2) atoms. is represented by the CIF card [CIF]
data_KAg3Se2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.366
_cell_length_b   8.557
_cell_length_c   8.895
_cell_angle_alpha   114.249
_cell_angle_beta   90.000
_cell_angle_gamma   104.781
_symmetry_Int_Tables_number   1
_cell_volume   290.937
_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
  K  K0  1  0.864  0.728  0.949  1.0
  K  K1  1  0.136  0.272  0.051  1.0
  Ag  Ag2  1  0.944  0.887  0.597  1.0
  Ag  Ag3  1  0.056  0.113  0.403  1.0
  Ag  Ag4  1  0.312  0.625  0.563  1.0
  Ag  Ag5  1  0.688  0.375  0.437  1.0
  Ag  Ag6  1  0.408  0.816  0.355  1.0
  Ag  Ag7  1  0.592  0.184  0.645  1.0
  Se  Se8  1  0.515  0.030  0.209  1.0
  Se  Se9  1  0.485  0.970  0.791  1.0
  Se  Se10  1  0.797  0.594  0.294  1.0
  Se  Se11  1  0.203  0.406  0.706  1.0
[/CIF]
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