The structure described by Cs3GaSe3 crystallizes in the monoclinic P2_1/c space group. There are three inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 6-coordinate geometry to one Se(1), two equivalent Se(3), and three equivalent Se(2) atoms. In the second Cs site, Cs(2) is bonded in a 8-coordinate geometry to one Ga(1), two equivalent Se(1), two equivalent Se(2), and three equivalent Se(3) atoms. In the third Cs site, Cs(3) is bonded in a 5-coordinate geometry to one Se(1), two equivalent Se(2), and two equivalent Se(3) atoms. Ga(1) is bonded to one Cs(2), one Se(2), one Se(3), and two equivalent Se(1) atoms to form edge-sharing GaCsSe4 tetrahedra. There are three inequivalent Se sites. In the first Se site, Se(1) is bonded in a 6-coordinate geometry to one Cs(1), one Cs(3), two equivalent Cs(2), and two equivalent Ga(1) atoms. In the second Se site, Se(2) is bonded in a 1-coordinate geometry to two equivalent Cs(2), two equivalent Cs(3), three equivalent Cs(1), and one Ga(1) atom. In the third Se site, Se(3) is bonded in a 1-coordinate geometry to two equivalent Cs(1), two equivalent Cs(3), three equivalent Cs(2), and one Ga(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cs3GaSe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.864
_cell_length_b   8.622
_cell_length_c   11.282
_cell_angle_alpha   53.476
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1083.790
_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  0.923  0.355  0.386  1.0
  Cs  Cs1  1  0.423  0.645  0.114  1.0
  Cs  Cs2  1  0.077  0.645  0.614  1.0
  Cs  Cs3  1  0.577  0.355  0.886  1.0
  Cs  Cs4  1  0.193  0.130  0.586  1.0
  Cs  Cs5  1  0.693  0.870  0.914  1.0
  Cs  Cs6  1  0.807  0.870  0.414  1.0
  Cs  Cs7  1  0.307  0.130  0.086  1.0
  Cs  Cs8  1  0.629  0.378  0.486  1.0
  Cs  Cs9  1  0.129  0.622  0.014  1.0
  Cs  Cs10  1  0.371  0.622  0.514  1.0
  Cs  Cs11  1  0.871  0.378  0.986  1.0
  Ga  Ga12  1  0.943  0.068  0.840  1.0
  Ga  Ga13  1  0.443  0.932  0.660  1.0
  Ga  Ga14  1  0.057  0.932  0.160  1.0
  Ga  Ga15  1  0.557  0.068  0.340  1.0
  Se  Se16  1  0.396  0.136  0.393  1.0
  Se  Se17  1  0.896  0.864  0.107  1.0
  Se  Se18  1  0.604  0.864  0.607  1.0
  Se  Se19  1  0.104  0.136  0.893  1.0
  Se  Se20  1  0.660  0.345  0.196  1.0
  Se  Se21  1  0.160  0.655  0.304  1.0
  Se  Se22  1  0.340  0.655  0.804  1.0
  Se  Se23  1  0.840  0.345  0.696  1.0
  Se  Se24  1  0.554  0.889  0.241  1.0
  Se  Se25  1  0.054  0.111  0.259  1.0
  Se  Se26  1  0.446  0.111  0.759  1.0
  Se  Se27  1  0.946  0.889  0.741  1.0
[/CIF]
.
The structure described by Cs3GaSe3 crystallizes in the monoclinic P2_1/c space group. There are three inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 6-coordinate geometry to one Se(1), two equivalent Se(3), and three equivalent Se(2) atoms. In the second Cs site, Cs(2) is bonded in a 8-coordinate geometry to one Ga(1), two equivalent Se(1), two equivalent Se(2), and three equivalent Se(3) atoms. In the third Cs site, Cs(3) is bonded in a 5-coordinate geometry to one Se(1), two equivalent Se(2), and two equivalent Se(3) atoms. Ga(1) is bonded to one Cs(2), one Se(2), one Se(3), and two equivalent Se(1) atoms to form edge-sharing GaCsSe4 tetrahedra. There are three inequivalent Se sites. In the first Se site, Se(1) is bonded in a 6-coordinate geometry to one Cs(1), one Cs(3), two equivalent Cs(2), and two equivalent Ga(1) atoms. In the second Se site, Se(2) is bonded in a 1-coordinate geometry to two equivalent Cs(2), two equivalent Cs(3), three equivalent Cs(1), and one Ga(1) atom. In the third Se site, Se(3) is bonded in a 1-coordinate geometry to two equivalent Cs(1), two equivalent Cs(3), three equivalent Cs(2), and one Ga(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cs3GaSe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.864
_cell_length_b   8.622
_cell_length_c   11.282
_cell_angle_alpha   53.476
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1083.790
_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  0.923  0.355  0.386  1.0
  Cs  Cs1  1  0.423  0.645  0.114  1.0
  Cs  Cs2  1  0.077  0.645  0.614  1.0
  Cs  Cs3  1  0.577  0.355  0.886  1.0
  Cs  Cs4  1  0.193  0.130  0.586  1.0
  Cs  Cs5  1  0.693  0.870  0.914  1.0
  Cs  Cs6  1  0.807  0.870  0.414  1.0
  Cs  Cs7  1  0.307  0.130  0.086  1.0
  Cs  Cs8  1  0.629  0.378  0.486  1.0
  Cs  Cs9  1  0.129  0.622  0.014  1.0
  Cs  Cs10  1  0.371  0.622  0.514  1.0
  Cs  Cs11  1  0.871  0.378  0.986  1.0
  Ga  Ga12  1  0.943  0.068  0.840  1.0
  Ga  Ga13  1  0.443  0.932  0.660  1.0
  Ga  Ga14  1  0.057  0.932  0.160  1.0
  Ga  Ga15  1  0.557  0.068  0.340  1.0
  Se  Se16  1  0.396  0.136  0.393  1.0
  Se  Se17  1  0.896  0.864  0.107  1.0
  Se  Se18  1  0.604  0.864  0.607  1.0
  Se  Se19  1  0.104  0.136  0.893  1.0
  Se  Se20  1  0.660  0.345  0.196  1.0
  Se  Se21  1  0.160  0.655  0.304  1.0
  Se  Se22  1  0.340  0.655  0.804  1.0
  Se  Se23  1  0.840  0.345  0.696  1.0
  Se  Se24  1  0.554  0.889  0.241  1.0
  Se  Se25  1  0.054  0.111  0.259  1.0
  Se  Se26  1  0.446  0.111  0.759  1.0
  Se  Se27  1  0.946  0.889  0.741  1.0
[/CIF]
.