The material described by Cs3GaAs2 crystallizes in the monoclinic P2_1/c space group. There are six inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 5-coordinate geometry to one Ga(1), one As(1), one As(4), and two equivalent As(3) atoms. In the second Cs site, Cs(2) is bonded in a 3-coordinate geometry to one As(1), one As(2), and one As(4) atom. In the third Cs site, Cs(3) is bonded in a 7-coordinate geometry to one Ga(1), one Ga(2), one As(3), two equivalent As(1), and two equivalent As(2) atoms. In the fourth Cs site, Cs(4) is bonded in a 3-coordinate geometry to one Ga(1), one As(3), and one As(4) atom. In the fifth Cs site, Cs(5) is bonded in a 4-coordinate geometry to one As(2), one As(4), and two equivalent As(1) atoms. In the sixth Cs site, Cs(6) is bonded in a 4-coordinate geometry to one As(1), one As(3), and two equivalent As(4) atoms. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 3-coordinate geometry to one Cs(1), one Cs(3), one Cs(4), one As(1), and two equivalent As(2) atoms. In the second Ga site, Ga(2) is bonded in a 3-coordinate geometry to one Cs(3), one As(4), and two equivalent As(3) atoms. There are four inequivalent As sites. In the first As site, As(1) is bonded in a 8-coordinate geometry to one Cs(1), one Cs(2), one Cs(6), two equivalent Cs(3), two equivalent Cs(5), and one Ga(1) atom. In the second As site, As(2) is bonded in a 5-coordinate geometry to one Cs(2), one Cs(5), two equivalent Cs(3), and two equivalent Ga(1) atoms. In the third As site, As(3) is bonded in a 2-coordinate geometry to one Cs(3), one Cs(4), one Cs(6), two equivalent Cs(1), and two equivalent Ga(2) atoms. In the fourth As site, As(4) is bonded in a 1-coordinate geometry to one Cs(1), one Cs(2), one Cs(4), one Cs(5), two equivalent Cs(6), and one Ga(2) atom. is represented by the CIF card [CIF]
data_Cs3GaAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.944
_cell_length_b   11.439
_cell_length_c   19.568
_cell_angle_alpha   80.500
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1974.400
_cell_formula_units_Z   8
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  0.924  0.376  0.890  1.0
  Cs  Cs1  1  0.424  0.624  0.610  1.0
  Cs  Cs2  1  0.076  0.624  0.110  1.0
  Cs  Cs3  1  0.576  0.376  0.390  1.0
  Cs  Cs4  1  0.379  0.293  0.840  1.0
  Cs  Cs5  1  0.879  0.707  0.660  1.0
  Cs  Cs6  1  0.621  0.707  0.160  1.0
  Cs  Cs7  1  0.121  0.293  0.340  1.0
  Cs  Cs8  1  0.526  0.154  0.031  1.0
  Cs  Cs9  1  0.026  0.846  0.469  1.0
  Cs  Cs10  1  0.474  0.846  0.969  1.0
  Cs  Cs11  1  0.974  0.154  0.531  1.0
  Cs  Cs12  1  0.409  0.259  0.576  1.0
  Cs  Cs13  1  0.909  0.741  0.924  1.0
  Cs  Cs14  1  0.591  0.741  0.424  1.0
  Cs  Cs15  1  0.091  0.259  0.076  1.0
  Cs  Cs16  1  0.048  0.079  0.758  1.0
  Cs  Cs17  1  0.548  0.921  0.742  1.0
  Cs  Cs18  1  0.952  0.921  0.242  1.0
  Cs  Cs19  1  0.452  0.079  0.258  1.0
  Cs  Cs20  1  0.742  0.360  0.708  1.0
  Cs  Cs21  1  0.242  0.640  0.792  1.0
  Cs  Cs22  1  0.258  0.640  0.292  1.0
  Cs  Cs23  1  0.758  0.360  0.208  1.0
  Ga  Ga24  1  0.881  0.046  0.944  1.0
  Ga  Ga25  1  0.381  0.954  0.556  1.0
  Ga  Ga26  1  0.119  0.954  0.056  1.0
  Ga  Ga27  1  0.619  0.046  0.444  1.0
  Ga  Ga28  1  0.056  0.461  0.576  1.0
  Ga  Ga29  1  0.556  0.539  0.924  1.0
  Ga  Ga30  1  0.944  0.539  0.424  1.0
  Ga  Ga31  1  0.444  0.461  0.076  1.0
  As  As32  1  0.701  0.105  0.859  1.0
  As  As33  1  0.201  0.895  0.641  1.0
  As  As34  1  0.299  0.895  0.141  1.0
  As  As35  1  0.799  0.105  0.359  1.0
  As  As36  1  0.845  0.953  0.065  1.0
  As  As37  1  0.345  0.047  0.435  1.0
  As  As38  1  0.155  0.047  0.935  1.0
  As  As39  1  0.655  0.953  0.565  1.0
  As  As40  1  0.798  0.492  0.531  1.0
  As  As41  1  0.298  0.508  0.969  1.0
  As  As42  1  0.202  0.508  0.469  1.0
  As  As43  1  0.702  0.492  0.031  1.0
  As  As44  1  0.143  0.400  0.690  1.0
  As  As45  1  0.643  0.600  0.810  1.0
  As  As46  1  0.857  0.600  0.310  1.0
  As  As47  1  0.357  0.400  0.190  1.0
[/CIF]
.
The material described by Cs3GaAs2 crystallizes in the monoclinic P2_1/c space group. There are six inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 5-coordinate geometry to one Ga(1), one As(1), one As(4), and two equivalent As(3) atoms. In the second Cs site, Cs(2) is bonded in a 3-coordinate geometry to one As(1), one As(2), and one As(4) atom. In the third Cs site, Cs(3) is bonded in a 7-coordinate geometry to one Ga(1), one Ga(2), one As(3), two equivalent As(1), and two equivalent As(2) atoms. In the fourth Cs site, Cs(4) is bonded in a 3-coordinate geometry to one Ga(1), one As(3), and one As(4) atom. In the fifth Cs site, Cs(5) is bonded in a 4-coordinate geometry to one As(2), one As(4), and two equivalent As(1) atoms. In the sixth Cs site, Cs(6) is bonded in a 4-coordinate geometry to one As(1), one As(3), and two equivalent As(4) atoms. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 3-coordinate geometry to one Cs(1), one Cs(3), one Cs(4), one As(1), and two equivalent As(2) atoms. In the second Ga site, Ga(2) is bonded in a 3-coordinate geometry to one Cs(3), one As(4), and two equivalent As(3) atoms. There are four inequivalent As sites. In the first As site, As(1) is bonded in a 8-coordinate geometry to one Cs(1), one Cs(2), one Cs(6), two equivalent Cs(3), two equivalent Cs(5), and one Ga(1) atom. In the second As site, As(2) is bonded in a 5-coordinate geometry to one Cs(2), one Cs(5), two equivalent Cs(3), and two equivalent Ga(1) atoms. In the third As site, As(3) is bonded in a 2-coordinate geometry to one Cs(3), one Cs(4), one Cs(6), two equivalent Cs(1), and two equivalent Ga(2) atoms. In the fourth As site, As(4) is bonded in a 1-coordinate geometry to one Cs(1), one Cs(2), one Cs(4), one Cs(5), two equivalent Cs(6), and one Ga(2) atom. is represented by the CIF card [CIF]
data_Cs3GaAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.944
_cell_length_b   11.439
_cell_length_c   19.568
_cell_angle_alpha   80.500
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1974.400
_cell_formula_units_Z   8
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  0.924  0.376  0.890  1.0
  Cs  Cs1  1  0.424  0.624  0.610  1.0
  Cs  Cs2  1  0.076  0.624  0.110  1.0
  Cs  Cs3  1  0.576  0.376  0.390  1.0
  Cs  Cs4  1  0.379  0.293  0.840  1.0
  Cs  Cs5  1  0.879  0.707  0.660  1.0
  Cs  Cs6  1  0.621  0.707  0.160  1.0
  Cs  Cs7  1  0.121  0.293  0.340  1.0
  Cs  Cs8  1  0.526  0.154  0.031  1.0
  Cs  Cs9  1  0.026  0.846  0.469  1.0
  Cs  Cs10  1  0.474  0.846  0.969  1.0
  Cs  Cs11  1  0.974  0.154  0.531  1.0
  Cs  Cs12  1  0.409  0.259  0.576  1.0
  Cs  Cs13  1  0.909  0.741  0.924  1.0
  Cs  Cs14  1  0.591  0.741  0.424  1.0
  Cs  Cs15  1  0.091  0.259  0.076  1.0
  Cs  Cs16  1  0.048  0.079  0.758  1.0
  Cs  Cs17  1  0.548  0.921  0.742  1.0
  Cs  Cs18  1  0.952  0.921  0.242  1.0
  Cs  Cs19  1  0.452  0.079  0.258  1.0
  Cs  Cs20  1  0.742  0.360  0.708  1.0
  Cs  Cs21  1  0.242  0.640  0.792  1.0
  Cs  Cs22  1  0.258  0.640  0.292  1.0
  Cs  Cs23  1  0.758  0.360  0.208  1.0
  Ga  Ga24  1  0.881  0.046  0.944  1.0
  Ga  Ga25  1  0.381  0.954  0.556  1.0
  Ga  Ga26  1  0.119  0.954  0.056  1.0
  Ga  Ga27  1  0.619  0.046  0.444  1.0
  Ga  Ga28  1  0.056  0.461  0.576  1.0
  Ga  Ga29  1  0.556  0.539  0.924  1.0
  Ga  Ga30  1  0.944  0.539  0.424  1.0
  Ga  Ga31  1  0.444  0.461  0.076  1.0
  As  As32  1  0.701  0.105  0.859  1.0
  As  As33  1  0.201  0.895  0.641  1.0
  As  As34  1  0.299  0.895  0.141  1.0
  As  As35  1  0.799  0.105  0.359  1.0
  As  As36  1  0.845  0.953  0.065  1.0
  As  As37  1  0.345  0.047  0.435  1.0
  As  As38  1  0.155  0.047  0.935  1.0
  As  As39  1  0.655  0.953  0.565  1.0
  As  As40  1  0.798  0.492  0.531  1.0
  As  As41  1  0.298  0.508  0.969  1.0
  As  As42  1  0.202  0.508  0.469  1.0
  As  As43  1  0.702  0.492  0.031  1.0
  As  As44  1  0.143  0.400  0.690  1.0
  As  As45  1  0.643  0.600  0.810  1.0
  As  As46  1  0.857  0.600  0.310  1.0
  As  As47  1  0.357  0.400  0.190  1.0
[/CIF]
.