The crystal structure described by Cs3BAs2 crystallizes in the monoclinic C2/c space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 4-coordinate geometry to two equivalent B(1) and two equivalent As(1) atoms. In the second Cs site, Cs(2) is bonded in a 5-coordinate geometry to one B(1) and four equivalent As(1) atoms. B(1) is bonded in a distorted linear geometry to one Cs(2), four equivalent Cs(1), and two equivalent As(1) atoms. As(1) is bonded in a 1-coordinate geometry to two equivalent Cs(1), two equivalent Cs(2), and one B(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cs3BAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.083
_cell_length_b   7.083
_cell_length_c   10.146
_cell_angle_alpha   75.649
_cell_angle_beta   75.649
_cell_angle_gamma   89.080
_symmetry_Int_Tables_number   1
_cell_volume   477.190
_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  0.258  0.152  0.019  1.0
  Cs  Cs1  1  0.345  0.655  0.750  1.0
  Cs  Cs2  1  0.742  0.848  0.981  1.0
  Cs  Cs3  1  0.655  0.345  0.250  1.0
  Cs  Cs4  1  0.152  0.258  0.519  1.0
  Cs  Cs5  1  0.848  0.742  0.481  1.0
  B  B6  1  0.713  0.287  0.750  1.0
  B  B7  1  0.287  0.713  0.250  1.0
  As  As8  1  0.406  0.837  0.354  1.0
  As  As9  1  0.837  0.406  0.854  1.0
  As  As10  1  0.163  0.594  0.146  1.0
  As  As11  1  0.594  0.163  0.646  1.0
[/CIF]
.
The crystal structure described by Cs3BAs2 crystallizes in the monoclinic C2/c space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 4-coordinate geometry to two equivalent B(1) and two equivalent As(1) atoms. In the second Cs site, Cs(2) is bonded in a 5-coordinate geometry to one B(1) and four equivalent As(1) atoms. B(1) is bonded in a distorted linear geometry to one Cs(2), four equivalent Cs(1), and two equivalent As(1) atoms. As(1) is bonded in a 1-coordinate geometry to two equivalent Cs(1), two equivalent Cs(2), and one B(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cs3BAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.083
_cell_length_b   7.083
_cell_length_c   10.146
_cell_angle_alpha   75.649
_cell_angle_beta   75.649
_cell_angle_gamma   89.080
_symmetry_Int_Tables_number   1
_cell_volume   477.190
_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  0.258  0.152  0.019  1.0
  Cs  Cs1  1  0.345  0.655  0.750  1.0
  Cs  Cs2  1  0.742  0.848  0.981  1.0
  Cs  Cs3  1  0.655  0.345  0.250  1.0
  Cs  Cs4  1  0.152  0.258  0.519  1.0
  Cs  Cs5  1  0.848  0.742  0.481  1.0
  B  B6  1  0.713  0.287  0.750  1.0
  B  B7  1  0.287  0.713  0.250  1.0
  As  As8  1  0.406  0.837  0.354  1.0
  As  As9  1  0.837  0.406  0.854  1.0
  As  As10  1  0.163  0.594  0.146  1.0
  As  As11  1  0.594  0.163  0.646  1.0
[/CIF]
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