The material structure described by Cs2AsH3SeO8 crystallizes in the triclinic P-1 space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 11-coordinate geometry to one H(3), one O(1), one O(4), one O(5), one O(6), one O(7), one O(8), two equivalent O(2), and two equivalent O(3) atoms. In the second Cs site, Cs(2) is bonded in a 7-coordinate geometry to one O(2), one O(5), one O(6), one O(7), one O(8), and two equivalent O(1) atoms. As(1) is bonded in a tetrahedral geometry to one O(1), one O(3), one O(5), and one O(7) atom. There are four inequivalent H sites. In the first H site, H(1) is bonded in a linear geometry to two equivalent O(5) atoms. In the second H site, H(2) is bonded in a linear geometry to two equivalent O(6) atoms. In the third H site, H(3) is bonded in a distorted linear geometry to one Cs(1), one O(3), and one O(8) atom. In the fourth H site, H(4) is bonded in a distorted linear geometry to one O(4) and one O(7) atom. Se(1) is bonded in a tetrahedral geometry to one O(2), one O(4), one O(6), and one O(8) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Cs(1), two equivalent Cs(2), and one As(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Cs(2), two equivalent Cs(1), and one Se(1) atom. In the third O site, O(3) is bonded in a distorted water-like geometry to two equivalent Cs(1), one As(1), and one H(3) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Cs(1), one H(4), and one Se(1) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Cs(1), one Cs(2), one As(1), and one H(1) atom. In the sixth O site, O(6) is bonded in a distorted bent 120 degrees geometry to one Cs(1), one Cs(2), one H(2), and one Se(1) atom. In the seventh O site, O(7) is bonded in a distorted bent 120 degrees geometry to one Cs(1), one Cs(2), one As(1), and one H(4) atom. In the eighth O site, O(8) is bonded in a distorted bent 120 degrees geometry to one Cs(1), one Cs(2), one H(3), and one Se(1) atom. is represented by the CIF file [CIF]
data_Cs2AsH3SeO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.163
_cell_length_b   8.197
_cell_length_c   8.228
_cell_angle_alpha   87.670
_cell_angle_beta   89.436
_cell_angle_gamma   78.457
_symmetry_Int_Tables_number   1
_cell_volume   538.992
_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
  Cs  Cs0  1  0.118  0.768  0.832  1.0
  Cs  Cs1  1  0.608  0.276  0.667  1.0
  Cs  Cs2  1  0.882  0.232  0.168  1.0
  Cs  Cs3  1  0.392  0.724  0.333  1.0
  As  As4  1  0.602  0.750  0.823  1.0
  As  As5  1  0.398  0.250  0.177  1.0
  H  H6  1  0.500  0.000  0.000  1.0
  H  H7  1  0.000  0.500  0.500  1.0
  H  H8  1  0.764  0.621  0.042  1.0
  H  H9  1  0.272  0.125  0.396  1.0
  H  H10  1  0.236  0.379  0.958  1.0
  H  H11  1  0.728  0.875  0.604  1.0
  Se  Se12  1  0.113  0.247  0.675  1.0
  Se  Se13  1  0.887  0.753  0.325  1.0
  O  O14  1  0.496  0.659  0.694  1.0
  O  O15  1  0.994  0.164  0.805  1.0
  O  O16  1  0.504  0.341  0.306  1.0
  O  O17  1  0.006  0.836  0.195  1.0
  O  O18  1  0.755  0.595  0.924  1.0
  O  O19  1  0.250  0.097  0.585  1.0
  O  O20  1  0.245  0.405  0.076  1.0
  O  O21  1  0.750  0.903  0.415  1.0
  O  O22  1  0.484  0.860  0.972  1.0
  O  O23  1  0.985  0.356  0.525  1.0
  O  O24  1  0.516  0.140  0.028  1.0
  O  O25  1  0.015  0.644  0.475  1.0
  O  O26  1  0.722  0.884  0.728  1.0
  O  O27  1  0.214  0.380  0.760  1.0
  O  O28  1  0.278  0.116  0.272  1.0
  O  O29  1  0.786  0.620  0.240  1.0
[/CIF]
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The material structure described by Cs2AsH3SeO8 crystallizes in the triclinic P-1 space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 11-coordinate geometry to one H(3), one O(1), one O(4), one O(5), one O(6), one O(7), one O(8), two equivalent O(2), and two equivalent O(3) atoms. In the second Cs site, Cs(2) is bonded in a 7-coordinate geometry to one O(2), one O(5), one O(6), one O(7), one O(8), and two equivalent O(1) atoms. As(1) is bonded in a tetrahedral geometry to one O(1), one O(3), one O(5), and one O(7) atom. There are four inequivalent H sites. In the first H site, H(1) is bonded in a linear geometry to two equivalent O(5) atoms. In the second H site, H(2) is bonded in a linear geometry to two equivalent O(6) atoms. In the third H site, H(3) is bonded in a distorted linear geometry to one Cs(1), one O(3), and one O(8) atom. In the fourth H site, H(4) is bonded in a distorted linear geometry to one O(4) and one O(7) atom. Se(1) is bonded in a tetrahedral geometry to one O(2), one O(4), one O(6), and one O(8) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Cs(1), two equivalent Cs(2), and one As(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Cs(2), two equivalent Cs(1), and one Se(1) atom. In the third O site, O(3) is bonded in a distorted water-like geometry to two equivalent Cs(1), one As(1), and one H(3) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Cs(1), one H(4), and one Se(1) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Cs(1), one Cs(2), one As(1), and one H(1) atom. In the sixth O site, O(6) is bonded in a distorted bent 120 degrees geometry to one Cs(1), one Cs(2), one H(2), and one Se(1) atom. In the seventh O site, O(7) is bonded in a distorted bent 120 degrees geometry to one Cs(1), one Cs(2), one As(1), and one H(4) atom. In the eighth O site, O(8) is bonded in a distorted bent 120 degrees geometry to one Cs(1), one Cs(2), one H(3), and one Se(1) atom. is represented by the CIF file [CIF]
data_Cs2AsH3SeO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.163
_cell_length_b   8.197
_cell_length_c   8.228
_cell_angle_alpha   87.670
_cell_angle_beta   89.436
_cell_angle_gamma   78.457
_symmetry_Int_Tables_number   1
_cell_volume   538.992
_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
  Cs  Cs0  1  0.118  0.768  0.832  1.0
  Cs  Cs1  1  0.608  0.276  0.667  1.0
  Cs  Cs2  1  0.882  0.232  0.168  1.0
  Cs  Cs3  1  0.392  0.724  0.333  1.0
  As  As4  1  0.602  0.750  0.823  1.0
  As  As5  1  0.398  0.250  0.177  1.0
  H  H6  1  0.500  0.000  0.000  1.0
  H  H7  1  0.000  0.500  0.500  1.0
  H  H8  1  0.764  0.621  0.042  1.0
  H  H9  1  0.272  0.125  0.396  1.0
  H  H10  1  0.236  0.379  0.958  1.0
  H  H11  1  0.728  0.875  0.604  1.0
  Se  Se12  1  0.113  0.247  0.675  1.0
  Se  Se13  1  0.887  0.753  0.325  1.0
  O  O14  1  0.496  0.659  0.694  1.0
  O  O15  1  0.994  0.164  0.805  1.0
  O  O16  1  0.504  0.341  0.306  1.0
  O  O17  1  0.006  0.836  0.195  1.0
  O  O18  1  0.755  0.595  0.924  1.0
  O  O19  1  0.250  0.097  0.585  1.0
  O  O20  1  0.245  0.405  0.076  1.0
  O  O21  1  0.750  0.903  0.415  1.0
  O  O22  1  0.484  0.860  0.972  1.0
  O  O23  1  0.985  0.356  0.525  1.0
  O  O24  1  0.516  0.140  0.028  1.0
  O  O25  1  0.015  0.644  0.475  1.0
  O  O26  1  0.722  0.884  0.728  1.0
  O  O27  1  0.214  0.380  0.760  1.0
  O  O28  1  0.278  0.116  0.272  1.0
  O  O29  1  0.786  0.620  0.240  1.0
[/CIF]
.