The material structure described by Cs3As crystallizes in the hexagonal P6_3cm space group. There are four inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 2-coordinate geometry to four equivalent As(1) atoms. In the second Cs site, Cs(2) is bonded in a distorted trigonal planar geometry to three equivalent As(1) atoms. In the third Cs site, Cs(3) is bonded in a trigonal non-coplanar geometry to three equivalent As(1) atoms. In the fourth Cs site, Cs(4) is bonded in a distorted trigonal planar geometry to three equivalent As(1) atoms. As(1) is bonded in a 10-coordinate geometry to one Cs(3), two equivalent Cs(4), three equivalent Cs(2), and four equivalent Cs(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cs3As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.858
_cell_length_b   10.858
_cell_length_c   11.292
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   1153.007
_cell_formula_units_Z   6
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  0.630  0.000  0.510  1.0
  Cs  Cs1  1  0.630  0.630  0.010  1.0
  Cs  Cs2  1  0.000  0.370  0.010  1.0
  Cs  Cs3  1  0.000  0.630  0.510  1.0
  Cs  Cs4  1  0.370  0.370  0.510  1.0
  Cs  Cs5  1  0.370  0.000  0.010  1.0
  Cs  Cs6  1  0.710  0.000  0.179  1.0
  Cs  Cs7  1  0.710  0.710  0.679  1.0
  Cs  Cs8  1  0.000  0.290  0.679  1.0
  Cs  Cs9  1  0.000  0.710  0.179  1.0
  Cs  Cs10  1  0.290  0.290  0.179  1.0
  Cs  Cs11  1  0.290  0.000  0.679  1.0
  Cs  Cs12  1  0.000  0.000  0.428  1.0
  Cs  Cs13  1  0.000  0.000  0.928  1.0
  Cs  Cs14  1  0.667  0.333  0.291  1.0
  Cs  Cs15  1  0.333  0.667  0.791  1.0
  Cs  Cs16  1  0.667  0.333  0.791  1.0
  Cs  Cs17  1  0.333  0.667  0.291  1.0
  As  As18  1  0.000  0.327  0.346  1.0
  As  As19  1  0.673  0.000  0.846  1.0
  As  As20  1  0.327  0.327  0.846  1.0
  As  As21  1  0.673  0.673  0.346  1.0
  As  As22  1  0.327  0.000  0.346  1.0
  As  As23  1  0.000  0.673  0.846  1.0
[/CIF]
.
The material structure described by Cs3As crystallizes in the hexagonal P6_3cm space group. There are four inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 2-coordinate geometry to four equivalent As(1) atoms. In the second Cs site, Cs(2) is bonded in a distorted trigonal planar geometry to three equivalent As(1) atoms. In the third Cs site, Cs(3) is bonded in a trigonal non-coplanar geometry to three equivalent As(1) atoms. In the fourth Cs site, Cs(4) is bonded in a distorted trigonal planar geometry to three equivalent As(1) atoms. As(1) is bonded in a 10-coordinate geometry to one Cs(3), two equivalent Cs(4), three equivalent Cs(2), and four equivalent Cs(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cs3As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.858
_cell_length_b   10.858
_cell_length_c   11.292
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   1153.007
_cell_formula_units_Z   6
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  0.630  0.000  0.510  1.0
  Cs  Cs1  1  0.630  0.630  0.010  1.0
  Cs  Cs2  1  0.000  0.370  0.010  1.0
  Cs  Cs3  1  0.000  0.630  0.510  1.0
  Cs  Cs4  1  0.370  0.370  0.510  1.0
  Cs  Cs5  1  0.370  0.000  0.010  1.0
  Cs  Cs6  1  0.710  0.000  0.179  1.0
  Cs  Cs7  1  0.710  0.710  0.679  1.0
  Cs  Cs8  1  0.000  0.290  0.679  1.0
  Cs  Cs9  1  0.000  0.710  0.179  1.0
  Cs  Cs10  1  0.290  0.290  0.179  1.0
  Cs  Cs11  1  0.290  0.000  0.679  1.0
  Cs  Cs12  1  0.000  0.000  0.428  1.0
  Cs  Cs13  1  0.000  0.000  0.928  1.0
  Cs  Cs14  1  0.667  0.333  0.291  1.0
  Cs  Cs15  1  0.333  0.667  0.791  1.0
  Cs  Cs16  1  0.667  0.333  0.791  1.0
  Cs  Cs17  1  0.333  0.667  0.291  1.0
  As  As18  1  0.000  0.327  0.346  1.0
  As  As19  1  0.673  0.000  0.846  1.0
  As  As20  1  0.327  0.327  0.846  1.0
  As  As21  1  0.673  0.673  0.346  1.0
  As  As22  1  0.327  0.000  0.346  1.0
  As  As23  1  0.000  0.673  0.846  1.0
[/CIF]
.