The crystal structure described by Cs2As3 crystallizes in the orthorhombic Fmmm space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 8-coordinate geometry to four equivalent As(1) and four equivalent As(2) atoms. In the second Cs site, Cs(2) is bonded in a 10-coordinate geometry to two equivalent As(2) and eight equivalent As(1) atoms. There are two inequivalent As sites. In the first As site, As(1) is bonded in a 8-coordinate geometry to two equivalent Cs(1), four equivalent Cs(2), one As(1), and one As(2) atom. In the second As site, As(2) is bonded in a 8-coordinate geometry to two equivalent Cs(2), four equivalent Cs(1), and two equivalent As(1) atoms. is represented by the CIF card [CIF]
data_Cs2As3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.181
_cell_length_b   7.181
_cell_length_c   9.264
_cell_angle_alpha   110.777
_cell_angle_beta   110.777
_cell_angle_gamma   94.907
_symmetry_Int_Tables_number   1
_cell_volume   405.207
_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  0.750  0.250  0.500  1.0
  Cs  Cs1  1  0.250  0.750  0.500  1.0
  Cs  Cs2  1  0.272  0.728  0.000  1.0
  Cs  Cs3  1  0.728  0.272  1.000  1.0
  As  As4  1  0.712  0.712  0.849  1.0
  As  As5  1  0.863  0.863  0.151  1.0
  As  As6  1  0.288  0.288  0.151  1.0
  As  As7  1  0.137  0.137  0.849  1.0
  As  As8  1  0.848  0.848  0.696  1.0
  As  As9  1  0.152  0.152  0.304  1.0
[/CIF]
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The crystal structure described by Cs2As3 crystallizes in the orthorhombic Fmmm space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 8-coordinate geometry to four equivalent As(1) and four equivalent As(2) atoms. In the second Cs site, Cs(2) is bonded in a 10-coordinate geometry to two equivalent As(2) and eight equivalent As(1) atoms. There are two inequivalent As sites. In the first As site, As(1) is bonded in a 8-coordinate geometry to two equivalent Cs(1), four equivalent Cs(2), one As(1), and one As(2) atom. In the second As site, As(2) is bonded in a 8-coordinate geometry to two equivalent Cs(2), four equivalent Cs(1), and two equivalent As(1) atoms. is represented by the CIF card [CIF]
data_Cs2As3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.181
_cell_length_b   7.181
_cell_length_c   9.264
_cell_angle_alpha   110.777
_cell_angle_beta   110.777
_cell_angle_gamma   94.907
_symmetry_Int_Tables_number   1
_cell_volume   405.207
_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  0.750  0.250  0.500  1.0
  Cs  Cs1  1  0.250  0.750  0.500  1.0
  Cs  Cs2  1  0.272  0.728  0.000  1.0
  Cs  Cs3  1  0.728  0.272  1.000  1.0
  As  As4  1  0.712  0.712  0.849  1.0
  As  As5  1  0.863  0.863  0.151  1.0
  As  As6  1  0.288  0.288  0.151  1.0
  As  As7  1  0.137  0.137  0.849  1.0
  As  As8  1  0.848  0.848  0.696  1.0
  As  As9  1  0.152  0.152  0.304  1.0
[/CIF]
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