The material structure described by K2Ag2SnSe4 crystallizes in the monoclinic P2/c space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 8-coordinate geometry to four equivalent Se(1) and four equivalent Se(2) atoms. In the second K site, K(2) is bonded in a 8-coordinate geometry to four equivalent Se(1) and four equivalent Se(2) atoms. Ag(1) is bonded in a 4-coordinate geometry to two equivalent Se(1) and two equivalent Se(2) atoms. Sn(1) is bonded in a tetrahedral geometry to two equivalent 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 7-coordinate geometry to two equivalent K(1), two equivalent K(2), two equivalent Ag(1), and one Sn(1) atom. In the second Se site, Se(2) is bonded in a 7-coordinate geometry to two equivalent K(1), two equivalent K(2), two equivalent Ag(1), and one Sn(1) atom. is represented by the CIF card [CIF]
data_K2Ag2SnSe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.017
_cell_length_b   7.691
_cell_length_c   12.478
_cell_angle_alpha   66.167
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   528.249
_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  0.522  0.000  0.250  1.0
  K  K1  1  0.000  0.000  0.000  1.0
  K  K2  1  0.478  0.000  0.750  1.0
  K  K3  1  0.000  0.000  0.500  1.0
  Ag  Ag4  1  0.750  0.501  0.032  1.0
  Ag  Ag5  1  0.250  0.501  0.532  1.0
  Ag  Ag6  1  0.250  0.499  0.968  1.0
  Ag  Ag7  1  0.750  0.499  0.468  1.0
  Sn  Sn8  1  0.249  0.500  0.250  1.0
  Sn  Sn9  1  0.751  0.500  0.750  1.0
  Se  Se10  1  0.031  0.733  0.311  1.0
  Se  Se11  1  0.530  0.267  0.926  1.0
  Se  Se12  1  0.470  0.733  0.074  1.0
  Se  Se13  1  0.530  0.733  0.574  1.0
  Se  Se14  1  0.031  0.267  0.189  1.0
  Se  Se15  1  0.470  0.267  0.426  1.0
  Se  Se16  1  0.969  0.733  0.811  1.0
  Se  Se17  1  0.969  0.267  0.689  1.0
[/CIF]
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The material structure described by K2Ag2SnSe4 crystallizes in the monoclinic P2/c space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 8-coordinate geometry to four equivalent Se(1) and four equivalent Se(2) atoms. In the second K site, K(2) is bonded in a 8-coordinate geometry to four equivalent Se(1) and four equivalent Se(2) atoms. Ag(1) is bonded in a 4-coordinate geometry to two equivalent Se(1) and two equivalent Se(2) atoms. Sn(1) is bonded in a tetrahedral geometry to two equivalent 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 7-coordinate geometry to two equivalent K(1), two equivalent K(2), two equivalent Ag(1), and one Sn(1) atom. In the second Se site, Se(2) is bonded in a 7-coordinate geometry to two equivalent K(1), two equivalent K(2), two equivalent Ag(1), and one Sn(1) atom. is represented by the CIF card [CIF]
data_K2Ag2SnSe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.017
_cell_length_b   7.691
_cell_length_c   12.478
_cell_angle_alpha   66.167
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   528.249
_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  0.522  0.000  0.250  1.0
  K  K1  1  0.000  0.000  0.000  1.0
  K  K2  1  0.478  0.000  0.750  1.0
  K  K3  1  0.000  0.000  0.500  1.0
  Ag  Ag4  1  0.750  0.501  0.032  1.0
  Ag  Ag5  1  0.250  0.501  0.532  1.0
  Ag  Ag6  1  0.250  0.499  0.968  1.0
  Ag  Ag7  1  0.750  0.499  0.468  1.0
  Sn  Sn8  1  0.249  0.500  0.250  1.0
  Sn  Sn9  1  0.751  0.500  0.750  1.0
  Se  Se10  1  0.031  0.733  0.311  1.0
  Se  Se11  1  0.530  0.267  0.926  1.0
  Se  Se12  1  0.470  0.733  0.074  1.0
  Se  Se13  1  0.530  0.733  0.574  1.0
  Se  Se14  1  0.031  0.267  0.189  1.0
  Se  Se15  1  0.470  0.267  0.426  1.0
  Se  Se16  1  0.969  0.733  0.811  1.0
  Se  Se17  1  0.969  0.267  0.689  1.0
[/CIF]
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