The compound described by CsAsSe2 crystallizes in the orthorhombic Pbca space group. Cs(1) is bonded in a 10-coordinate geometry to two equivalent As(1), three equivalent Se(1), and five equivalent Se(2) atoms. As(1) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Cs(1), one Se(2), and two equivalent Se(1) atoms. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded in a 5-coordinate geometry to three equivalent Cs(1) and two equivalent As(1) atoms. In the second Se site, Se(2) is bonded in a 6-coordinate geometry to five equivalent Cs(1) and one As(1) atom. is represented by the CIF file [CIF]
data_CsAsSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.814
_cell_length_b   9.858
_cell_length_c   16.840
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1131.166
_cell_formula_units_Z   8
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  0.860  0.198  0.080  1.0
  Cs  Cs1  1  0.360  0.302  0.920  1.0
  Cs  Cs2  1  0.140  0.698  0.420  1.0
  Cs  Cs3  1  0.640  0.802  0.580  1.0
  Cs  Cs4  1  0.140  0.802  0.920  1.0
  Cs  Cs5  1  0.640  0.698  0.080  1.0
  Cs  Cs6  1  0.860  0.302  0.580  1.0
  Cs  Cs7  1  0.360  0.198  0.420  1.0
  As  As8  1  0.234  0.969  0.712  1.0
  As  As9  1  0.766  0.031  0.288  1.0
  As  As10  1  0.266  0.469  0.712  1.0
  As  As11  1  0.234  0.531  0.212  1.0
  As  As12  1  0.734  0.969  0.788  1.0
  As  As13  1  0.734  0.531  0.288  1.0
  As  As14  1  0.766  0.469  0.788  1.0
  As  As15  1  0.266  0.031  0.212  1.0
  Se  Se16  1  0.487  0.874  0.282  1.0
  Se  Se17  1  0.987  0.626  0.718  1.0
  Se  Se18  1  0.513  0.374  0.218  1.0
  Se  Se19  1  0.987  0.874  0.218  1.0
  Se  Se20  1  0.013  0.126  0.782  1.0
  Se  Se21  1  0.513  0.126  0.718  1.0
  Se  Se22  1  0.013  0.374  0.282  1.0
  Se  Se23  1  0.487  0.626  0.782  1.0
  Se  Se24  1  0.361  0.025  0.080  1.0
  Se  Se25  1  0.861  0.475  0.920  1.0
  Se  Se26  1  0.639  0.525  0.420  1.0
  Se  Se27  1  0.139  0.975  0.580  1.0
  Se  Se28  1  0.639  0.975  0.920  1.0
  Se  Se29  1  0.139  0.525  0.080  1.0
  Se  Se30  1  0.361  0.475  0.580  1.0
  Se  Se31  1  0.861  0.025  0.420  1.0
[/CIF]
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The compound described by CsAsSe2 crystallizes in the orthorhombic Pbca space group. Cs(1) is bonded in a 10-coordinate geometry to two equivalent As(1), three equivalent Se(1), and five equivalent Se(2) atoms. As(1) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Cs(1), one Se(2), and two equivalent Se(1) atoms. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded in a 5-coordinate geometry to three equivalent Cs(1) and two equivalent As(1) atoms. In the second Se site, Se(2) is bonded in a 6-coordinate geometry to five equivalent Cs(1) and one As(1) atom. is represented by the CIF file [CIF]
data_CsAsSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.814
_cell_length_b   9.858
_cell_length_c   16.840
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1131.166
_cell_formula_units_Z   8
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  0.860  0.198  0.080  1.0
  Cs  Cs1  1  0.360  0.302  0.920  1.0
  Cs  Cs2  1  0.140  0.698  0.420  1.0
  Cs  Cs3  1  0.640  0.802  0.580  1.0
  Cs  Cs4  1  0.140  0.802  0.920  1.0
  Cs  Cs5  1  0.640  0.698  0.080  1.0
  Cs  Cs6  1  0.860  0.302  0.580  1.0
  Cs  Cs7  1  0.360  0.198  0.420  1.0
  As  As8  1  0.234  0.969  0.712  1.0
  As  As9  1  0.766  0.031  0.288  1.0
  As  As10  1  0.266  0.469  0.712  1.0
  As  As11  1  0.234  0.531  0.212  1.0
  As  As12  1  0.734  0.969  0.788  1.0
  As  As13  1  0.734  0.531  0.288  1.0
  As  As14  1  0.766  0.469  0.788  1.0
  As  As15  1  0.266  0.031  0.212  1.0
  Se  Se16  1  0.487  0.874  0.282  1.0
  Se  Se17  1  0.987  0.626  0.718  1.0
  Se  Se18  1  0.513  0.374  0.218  1.0
  Se  Se19  1  0.987  0.874  0.218  1.0
  Se  Se20  1  0.013  0.126  0.782  1.0
  Se  Se21  1  0.513  0.126  0.718  1.0
  Se  Se22  1  0.013  0.374  0.282  1.0
  Se  Se23  1  0.487  0.626  0.782  1.0
  Se  Se24  1  0.361  0.025  0.080  1.0
  Se  Se25  1  0.861  0.475  0.920  1.0
  Se  Se26  1  0.639  0.525  0.420  1.0
  Se  Se27  1  0.139  0.975  0.580  1.0
  Se  Se28  1  0.639  0.975  0.920  1.0
  Se  Se29  1  0.139  0.525  0.080  1.0
  Se  Se30  1  0.361  0.475  0.580  1.0
  Se  Se31  1  0.861  0.025  0.420  1.0
[/CIF]
.