The crystal structure described by Cs5SiAs3 crystallizes in the orthorhombic Pnma space group. There are five inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 5-coordinate geometry to two equivalent As(3) and three equivalent As(1) atoms. In the second Cs site, Cs(2) is bonded in a 3-coordinate geometry to one As(3), two equivalent As(1), and two equivalent As(2) atoms. In the third Cs site, Cs(3) is bonded in a 3-coordinate geometry to one As(3) and two equivalent As(2) atoms. In the fourth Cs site, Cs(4) is bonded in a 4-coordinate geometry to one As(3) and three equivalent As(1) atoms. In the fifth Cs site, Cs(5) is bonded in a 4-coordinate geometry to one As(1), one As(2), and two equivalent As(3) atoms. Si(1) is bonded in a trigonal planar geometry to one As(1), one As(2), and one As(3) atom. There are three inequivalent As sites. In the first As site, As(1) is bonded in a 10-coordinate geometry to one Cs(5), two equivalent Cs(2), three equivalent Cs(1), three equivalent Cs(4), and one Si(1) atom. In the second As site, As(2) is bonded in a 1-coordinate geometry to one Cs(5), two equivalent Cs(2), two equivalent Cs(3), and one Si(1) atom. In the third As site, As(3) is bonded in a 1-coordinate geometry to one Cs(2), one Cs(3), one Cs(4), two equivalent Cs(1), two equivalent Cs(5), and one Si(1) atom. is represented by the CIF file [CIF]
data_Cs5SiAs3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.079
_cell_length_b   14.596
_cell_length_c   16.044
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1423.446
_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  0.750  0.645  0.952  1.0
  Cs  Cs1  1  0.250  0.778  0.705  1.0
  Cs  Cs2  1  0.750  0.936  0.048  1.0
  Cs  Cs3  1  0.750  0.950  0.347  1.0
  Cs  Cs4  1  0.250  0.355  0.048  1.0
  Cs  Cs5  1  0.250  0.855  0.452  1.0
  Cs  Cs6  1  0.750  0.145  0.548  1.0
  Cs  Cs7  1  0.750  0.436  0.452  1.0
  Cs  Cs8  1  0.250  0.050  0.653  1.0
  Cs  Cs9  1  0.250  0.278  0.795  1.0
  Cs  Cs10  1  0.750  0.380  0.686  1.0
  Cs  Cs11  1  0.250  0.564  0.548  1.0
  Cs  Cs12  1  0.750  0.222  0.295  1.0
  Cs  Cs13  1  0.750  0.722  0.205  1.0
  Cs  Cs14  1  0.750  0.450  0.153  1.0
  Cs  Cs15  1  0.250  0.064  0.952  1.0
  Cs  Cs16  1  0.250  0.620  0.314  1.0
  Cs  Cs17  1  0.750  0.880  0.814  1.0
  Cs  Cs18  1  0.250  0.550  0.847  1.0
  Cs  Cs19  1  0.250  0.120  0.186  1.0
  Si  Si20  1  0.750  0.740  0.566  1.0
  Si  Si21  1  0.750  0.240  0.934  1.0
  Si  Si22  1  0.250  0.260  0.434  1.0
  Si  Si23  1  0.250  0.760  0.066  1.0
  As  As24  1  0.750  0.395  0.912  1.0
  As  As25  1  0.250  0.864  0.175  1.0
  As  As26  1  0.750  0.636  0.675  1.0
  As  As27  1  0.750  0.693  0.430  1.0
  As  As28  1  0.750  0.895  0.588  1.0
  As  As29  1  0.250  0.605  0.088  1.0
  As  As30  1  0.250  0.807  0.930  1.0
  As  As31  1  0.250  0.307  0.570  1.0
  As  As32  1  0.750  0.136  0.825  1.0
  As  As33  1  0.250  0.105  0.412  1.0
  As  As34  1  0.250  0.364  0.325  1.0
  As  As35  1  0.750  0.193  0.070  1.0
[/CIF]
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The crystal structure described by Cs5SiAs3 crystallizes in the orthorhombic Pnma space group. There are five inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 5-coordinate geometry to two equivalent As(3) and three equivalent As(1) atoms. In the second Cs site, Cs(2) is bonded in a 3-coordinate geometry to one As(3), two equivalent As(1), and two equivalent As(2) atoms. In the third Cs site, Cs(3) is bonded in a 3-coordinate geometry to one As(3) and two equivalent As(2) atoms. In the fourth Cs site, Cs(4) is bonded in a 4-coordinate geometry to one As(3) and three equivalent As(1) atoms. In the fifth Cs site, Cs(5) is bonded in a 4-coordinate geometry to one As(1), one As(2), and two equivalent As(3) atoms. Si(1) is bonded in a trigonal planar geometry to one As(1), one As(2), and one As(3) atom. There are three inequivalent As sites. In the first As site, As(1) is bonded in a 10-coordinate geometry to one Cs(5), two equivalent Cs(2), three equivalent Cs(1), three equivalent Cs(4), and one Si(1) atom. In the second As site, As(2) is bonded in a 1-coordinate geometry to one Cs(5), two equivalent Cs(2), two equivalent Cs(3), and one Si(1) atom. In the third As site, As(3) is bonded in a 1-coordinate geometry to one Cs(2), one Cs(3), one Cs(4), two equivalent Cs(1), two equivalent Cs(5), and one Si(1) atom. is represented by the CIF file [CIF]
data_Cs5SiAs3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.079
_cell_length_b   14.596
_cell_length_c   16.044
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1423.446
_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  0.750  0.645  0.952  1.0
  Cs  Cs1  1  0.250  0.778  0.705  1.0
  Cs  Cs2  1  0.750  0.936  0.048  1.0
  Cs  Cs3  1  0.750  0.950  0.347  1.0
  Cs  Cs4  1  0.250  0.355  0.048  1.0
  Cs  Cs5  1  0.250  0.855  0.452  1.0
  Cs  Cs6  1  0.750  0.145  0.548  1.0
  Cs  Cs7  1  0.750  0.436  0.452  1.0
  Cs  Cs8  1  0.250  0.050  0.653  1.0
  Cs  Cs9  1  0.250  0.278  0.795  1.0
  Cs  Cs10  1  0.750  0.380  0.686  1.0
  Cs  Cs11  1  0.250  0.564  0.548  1.0
  Cs  Cs12  1  0.750  0.222  0.295  1.0
  Cs  Cs13  1  0.750  0.722  0.205  1.0
  Cs  Cs14  1  0.750  0.450  0.153  1.0
  Cs  Cs15  1  0.250  0.064  0.952  1.0
  Cs  Cs16  1  0.250  0.620  0.314  1.0
  Cs  Cs17  1  0.750  0.880  0.814  1.0
  Cs  Cs18  1  0.250  0.550  0.847  1.0
  Cs  Cs19  1  0.250  0.120  0.186  1.0
  Si  Si20  1  0.750  0.740  0.566  1.0
  Si  Si21  1  0.750  0.240  0.934  1.0
  Si  Si22  1  0.250  0.260  0.434  1.0
  Si  Si23  1  0.250  0.760  0.066  1.0
  As  As24  1  0.750  0.395  0.912  1.0
  As  As25  1  0.250  0.864  0.175  1.0
  As  As26  1  0.750  0.636  0.675  1.0
  As  As27  1  0.750  0.693  0.430  1.0
  As  As28  1  0.750  0.895  0.588  1.0
  As  As29  1  0.250  0.605  0.088  1.0
  As  As30  1  0.250  0.807  0.930  1.0
  As  As31  1  0.250  0.307  0.570  1.0
  As  As32  1  0.750  0.136  0.825  1.0
  As  As33  1  0.250  0.105  0.412  1.0
  As  As34  1  0.250  0.364  0.325  1.0
  As  As35  1  0.750  0.193  0.070  1.0
[/CIF]
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