The crystal structure described by K2Ag4Se3 crystallizes in the monoclinic C2/m space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 6-coordinate geometry to one Se(1), two equivalent Se(3), and three equivalent Se(2) atoms. In the second K site, K(2) is bonded in a 6-coordinate geometry to one Se(3), two equivalent Se(2), and three equivalent Se(1) atoms. There are four inequivalent Ag sites. In the first Ag site, Ag(1) is bonded in a distorted trigonal non-coplanar geometry to one Se(3) and two equivalent Se(2) atoms. In the second Ag site, Ag(2) is bonded in a 3-coordinate geometry to one Se(1) and two equivalent Se(3) atoms. In the third Ag site, Ag(3) is bonded in a distorted trigonal planar geometry to one Se(2) and two equivalent Se(3) atoms. In the fourth Ag site, Ag(4) is bonded in a distorted trigonal planar geometry to one Se(3) and two equivalent Se(1) atoms. There are three inequivalent Se sites. In the first Se site, Se(1) is bonded in a 7-coordinate geometry to one K(1), three equivalent K(2), one Ag(2), and two equivalent Ag(4) atoms. In the second Se site, Se(2) is bonded in a 8-coordinate geometry to two equivalent K(2), three equivalent K(1), one Ag(3), and two equivalent Ag(1) atoms. In the third Se site, Se(3) is bonded in a 9-coordinate geometry to one K(2), two equivalent K(1), one Ag(1), one Ag(4), two equivalent Ag(2), and two equivalent Ag(3) atoms. is represented by the CIF card [CIF]
data_K2Ag4Se3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.435
_cell_length_b   9.295
_cell_length_c   11.895
_cell_angle_alpha   107.815
_cell_angle_beta   90.000
_cell_angle_gamma   103.803
_symmetry_Int_Tables_number   1
_cell_volume   452.011
_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  0.814  0.628  0.657  1.0
  K  K1  1  0.186  0.372  0.343  1.0
  K  K2  1  0.336  0.672  0.161  1.0
  K  K3  1  0.664  0.328  0.839  1.0
  Ag  Ag4  1  0.588  0.176  0.517  1.0
  Ag  Ag5  1  0.009  0.019  0.878  1.0
  Ag  Ag6  1  0.019  0.037  0.629  1.0
  Ag  Ag7  1  0.584  0.168  0.080  1.0
  Ag  Ag8  1  0.412  0.824  0.483  1.0
  Ag  Ag9  1  0.416  0.832  0.920  1.0
  Ag  Ag10  1  0.981  0.963  0.371  1.0
  Ag  Ag11  1  0.991  0.981  0.122  1.0
  Se  Se12  1  0.854  0.707  0.959  1.0
  Se  Se13  1  0.162  0.325  0.616  1.0
  Se  Se14  1  0.466  0.932  0.723  1.0
  Se  Se15  1  0.838  0.675  0.384  1.0
  Se  Se16  1  0.534  0.068  0.277  1.0
  Se  Se17  1  0.146  0.293  0.041  1.0
[/CIF]
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The crystal structure described by K2Ag4Se3 crystallizes in the monoclinic C2/m space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 6-coordinate geometry to one Se(1), two equivalent Se(3), and three equivalent Se(2) atoms. In the second K site, K(2) is bonded in a 6-coordinate geometry to one Se(3), two equivalent Se(2), and three equivalent Se(1) atoms. There are four inequivalent Ag sites. In the first Ag site, Ag(1) is bonded in a distorted trigonal non-coplanar geometry to one Se(3) and two equivalent Se(2) atoms. In the second Ag site, Ag(2) is bonded in a 3-coordinate geometry to one Se(1) and two equivalent Se(3) atoms. In the third Ag site, Ag(3) is bonded in a distorted trigonal planar geometry to one Se(2) and two equivalent Se(3) atoms. In the fourth Ag site, Ag(4) is bonded in a distorted trigonal planar geometry to one Se(3) and two equivalent Se(1) atoms. There are three inequivalent Se sites. In the first Se site, Se(1) is bonded in a 7-coordinate geometry to one K(1), three equivalent K(2), one Ag(2), and two equivalent Ag(4) atoms. In the second Se site, Se(2) is bonded in a 8-coordinate geometry to two equivalent K(2), three equivalent K(1), one Ag(3), and two equivalent Ag(1) atoms. In the third Se site, Se(3) is bonded in a 9-coordinate geometry to one K(2), two equivalent K(1), one Ag(1), one Ag(4), two equivalent Ag(2), and two equivalent Ag(3) atoms. is represented by the CIF card [CIF]
data_K2Ag4Se3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.435
_cell_length_b   9.295
_cell_length_c   11.895
_cell_angle_alpha   107.815
_cell_angle_beta   90.000
_cell_angle_gamma   103.803
_symmetry_Int_Tables_number   1
_cell_volume   452.011
_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  0.814  0.628  0.657  1.0
  K  K1  1  0.186  0.372  0.343  1.0
  K  K2  1  0.336  0.672  0.161  1.0
  K  K3  1  0.664  0.328  0.839  1.0
  Ag  Ag4  1  0.588  0.176  0.517  1.0
  Ag  Ag5  1  0.009  0.019  0.878  1.0
  Ag  Ag6  1  0.019  0.037  0.629  1.0
  Ag  Ag7  1  0.584  0.168  0.080  1.0
  Ag  Ag8  1  0.412  0.824  0.483  1.0
  Ag  Ag9  1  0.416  0.832  0.920  1.0
  Ag  Ag10  1  0.981  0.963  0.371  1.0
  Ag  Ag11  1  0.991  0.981  0.122  1.0
  Se  Se12  1  0.854  0.707  0.959  1.0
  Se  Se13  1  0.162  0.325  0.616  1.0
  Se  Se14  1  0.466  0.932  0.723  1.0
  Se  Se15  1  0.838  0.675  0.384  1.0
  Se  Se16  1  0.534  0.068  0.277  1.0
  Se  Se17  1  0.146  0.293  0.041  1.0
[/CIF]
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