The structure described by CsAgPSe3 crystallizes in the monoclinic P2_1/c space group. Cs(1) is bonded in a 10-coordinate geometry to one Ag(1), three equivalent Se(1), three equivalent Se(2), and three equivalent Se(3) atoms. Ag(1) is bonded in a distorted trigonal planar geometry to one Cs(1), one Se(1), one Se(2), and one Se(3) atom. P(1) is bonded in a distorted tetrahedral geometry to one P(1), one Se(1), one Se(2), and one Se(3) atom. There are three inequivalent Se sites. In the first Se site, Se(1) is bonded in a distorted L-shaped geometry to three equivalent Cs(1), one Ag(1), and one P(1) atom. In the second Se site, Se(2) is bonded in a 2-coordinate geometry to three equivalent Cs(1), one Ag(1), and one P(1) atom. In the third Se site, Se(3) is bonded in a 5-coordinate geometry to three equivalent Cs(1), one Ag(1), and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CsAgPSe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.743
_cell_length_b   6.965
_cell_length_c   10.567
_cell_angle_alpha   56.012
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   777.669
_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
  Cs  Cs0  1  0.169  0.264  0.485  1.0
  Cs  Cs1  1  0.669  0.736  0.015  1.0
  Cs  Cs2  1  0.831  0.736  0.515  1.0
  Cs  Cs3  1  0.331  0.264  0.985  1.0
  Ag  Ag4  1  0.059  0.682  0.862  1.0
  Ag  Ag5  1  0.559  0.318  0.638  1.0
  Ag  Ag6  1  0.941  0.318  0.138  1.0
  Ag  Ag7  1  0.441  0.682  0.362  1.0
  P  P8  1  0.460  0.850  0.612  1.0
  P  P9  1  0.960  0.150  0.888  1.0
  P  P10  1  0.540  0.150  0.388  1.0
  P  P11  1  0.040  0.850  0.112  1.0
  Se  Se12  1  0.322  0.741  0.541  1.0
  Se  Se13  1  0.822  0.259  0.959  1.0
  Se  Se14  1  0.678  0.259  0.459  1.0
  Se  Se15  1  0.178  0.741  0.041  1.0
  Se  Se16  1  0.411  0.993  0.744  1.0
  Se  Se17  1  0.911  0.007  0.756  1.0
  Se  Se18  1  0.589  0.007  0.256  1.0
  Se  Se19  1  0.089  0.993  0.244  1.0
  Se  Se20  1  0.580  0.573  0.745  1.0
  Se  Se21  1  0.080  0.427  0.755  1.0
  Se  Se22  1  0.420  0.427  0.255  1.0
  Se  Se23  1  0.920  0.573  0.245  1.0
[/CIF]
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The structure described by CsAgPSe3 crystallizes in the monoclinic P2_1/c space group. Cs(1) is bonded in a 10-coordinate geometry to one Ag(1), three equivalent Se(1), three equivalent Se(2), and three equivalent Se(3) atoms. Ag(1) is bonded in a distorted trigonal planar geometry to one Cs(1), one Se(1), one Se(2), and one Se(3) atom. P(1) is bonded in a distorted tetrahedral geometry to one P(1), one Se(1), one Se(2), and one Se(3) atom. There are three inequivalent Se sites. In the first Se site, Se(1) is bonded in a distorted L-shaped geometry to three equivalent Cs(1), one Ag(1), and one P(1) atom. In the second Se site, Se(2) is bonded in a 2-coordinate geometry to three equivalent Cs(1), one Ag(1), and one P(1) atom. In the third Se site, Se(3) is bonded in a 5-coordinate geometry to three equivalent Cs(1), one Ag(1), and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CsAgPSe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.743
_cell_length_b   6.965
_cell_length_c   10.567
_cell_angle_alpha   56.012
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   777.669
_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
  Cs  Cs0  1  0.169  0.264  0.485  1.0
  Cs  Cs1  1  0.669  0.736  0.015  1.0
  Cs  Cs2  1  0.831  0.736  0.515  1.0
  Cs  Cs3  1  0.331  0.264  0.985  1.0
  Ag  Ag4  1  0.059  0.682  0.862  1.0
  Ag  Ag5  1  0.559  0.318  0.638  1.0
  Ag  Ag6  1  0.941  0.318  0.138  1.0
  Ag  Ag7  1  0.441  0.682  0.362  1.0
  P  P8  1  0.460  0.850  0.612  1.0
  P  P9  1  0.960  0.150  0.888  1.0
  P  P10  1  0.540  0.150  0.388  1.0
  P  P11  1  0.040  0.850  0.112  1.0
  Se  Se12  1  0.322  0.741  0.541  1.0
  Se  Se13  1  0.822  0.259  0.959  1.0
  Se  Se14  1  0.678  0.259  0.459  1.0
  Se  Se15  1  0.178  0.741  0.041  1.0
  Se  Se16  1  0.411  0.993  0.744  1.0
  Se  Se17  1  0.911  0.007  0.756  1.0
  Se  Se18  1  0.589  0.007  0.256  1.0
  Se  Se19  1  0.089  0.993  0.244  1.0
  Se  Se20  1  0.580  0.573  0.745  1.0
  Se  Se21  1  0.080  0.427  0.755  1.0
  Se  Se22  1  0.420  0.427  0.255  1.0
  Se  Se23  1  0.920  0.573  0.245  1.0
[/CIF]
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