The compound described by Cs8Ga11Cl crystallizes in the trigonal R-3c space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 1-coordinate geometry to one Ga(1), two equivalent Ga(2), four equivalent Ga(3), and one Cl(1) atom. In the second Cs site, Cs(2) is bonded in a 4-coordinate geometry to three equivalent Ga(1), six equivalent Ga(3), and one Cl(1) atom. There are three inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 10-coordinate geometry to two equivalent Cs(1), two equivalent Cs(2), two equivalent Ga(2), and four equivalent Ga(3) atoms. In the second Ga site, Ga(2) is bonded to six equivalent Cs(1), three equivalent Ga(1), and three equivalent Ga(3) atoms to form a mixture of distorted edge and face-sharing GaCs6Ga6 cuboctahedra. In the third Ga site, Ga(3) is bonded in a 10-coordinate geometry to two equivalent Cs(2), four equivalent Cs(1), one Ga(2), one Ga(3), and two equivalent Ga(1) atoms. Cl(1) is bonded in a body-centered cubic geometry to two equivalent Cs(2) and six equivalent Cs(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cs8Ga11Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   18.075
_cell_length_b   18.075
_cell_length_c   18.075
_cell_angle_alpha   32.668
_cell_angle_beta   32.668
_cell_angle_gamma   32.668
_symmetry_Int_Tables_number   1
_cell_volume   1530.335
_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  0.902  0.691  0.339  1.0
  Cs  Cs1  1  0.339  0.902  0.691  1.0
  Cs  Cs2  1  0.691  0.339  0.902  1.0
  Cs  Cs3  1  0.839  0.191  0.402  1.0
  Cs  Cs4  1  0.402  0.839  0.191  1.0
  Cs  Cs5  1  0.191  0.402  0.839  1.0
  Cs  Cs6  1  0.098  0.309  0.661  1.0
  Cs  Cs7  1  0.661  0.098  0.309  1.0
  Cs  Cs8  1  0.309  0.661  0.098  1.0
  Cs  Cs9  1  0.161  0.809  0.598  1.0
  Cs  Cs10  1  0.598  0.161  0.809  1.0
  Cs  Cs11  1  0.809  0.598  0.161  1.0
  Cs  Cs12  1  0.925  0.925  0.925  1.0
  Cs  Cs13  1  0.425  0.425  0.425  1.0
  Cs  Cs14  1  0.075  0.075  0.075  1.0
  Cs  Cs15  1  0.575  0.575  0.575  1.0
  Ga  Ga16  1  0.938  0.562  0.750  1.0
  Ga  Ga17  1  0.750  0.938  0.562  1.0
  Ga  Ga18  1  0.562  0.750  0.938  1.0
  Ga  Ga19  1  0.250  0.062  0.438  1.0
  Ga  Ga20  1  0.438  0.250  0.062  1.0
  Ga  Ga21  1  0.062  0.438  0.250  1.0
  Ga  Ga22  1  0.294  0.294  0.294  1.0
  Ga  Ga23  1  0.794  0.794  0.794  1.0
  Ga  Ga24  1  0.706  0.706  0.706  1.0
  Ga  Ga25  1  0.206  0.206  0.206  1.0
  Ga  Ga26  1  0.529  0.026  0.276  1.0
  Ga  Ga27  1  0.276  0.529  0.026  1.0
  Ga  Ga28  1  0.026  0.276  0.529  1.0
  Ga  Ga29  1  0.776  0.526  0.029  1.0
  Ga  Ga30  1  0.029  0.776  0.526  1.0
  Ga  Ga31  1  0.526  0.029  0.776  1.0
  Ga  Ga32  1  0.471  0.974  0.724  1.0
  Ga  Ga33  1  0.724  0.471  0.974  1.0
  Ga  Ga34  1  0.974  0.724  0.471  1.0
  Ga  Ga35  1  0.224  0.474  0.971  1.0
  Ga  Ga36  1  0.971  0.224  0.474  1.0
  Ga  Ga37  1  0.474  0.971  0.224  1.0
  Cl  Cl38  1  0.000  0.000  0.000  1.0
  Cl  Cl39  1  0.500  0.500  0.500  1.0
[/CIF]
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The compound described by Cs8Ga11Cl crystallizes in the trigonal R-3c space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 1-coordinate geometry to one Ga(1), two equivalent Ga(2), four equivalent Ga(3), and one Cl(1) atom. In the second Cs site, Cs(2) is bonded in a 4-coordinate geometry to three equivalent Ga(1), six equivalent Ga(3), and one Cl(1) atom. There are three inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 10-coordinate geometry to two equivalent Cs(1), two equivalent Cs(2), two equivalent Ga(2), and four equivalent Ga(3) atoms. In the second Ga site, Ga(2) is bonded to six equivalent Cs(1), three equivalent Ga(1), and three equivalent Ga(3) atoms to form a mixture of distorted edge and face-sharing GaCs6Ga6 cuboctahedra. In the third Ga site, Ga(3) is bonded in a 10-coordinate geometry to two equivalent Cs(2), four equivalent Cs(1), one Ga(2), one Ga(3), and two equivalent Ga(1) atoms. Cl(1) is bonded in a body-centered cubic geometry to two equivalent Cs(2) and six equivalent Cs(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cs8Ga11Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   18.075
_cell_length_b   18.075
_cell_length_c   18.075
_cell_angle_alpha   32.668
_cell_angle_beta   32.668
_cell_angle_gamma   32.668
_symmetry_Int_Tables_number   1
_cell_volume   1530.335
_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  0.902  0.691  0.339  1.0
  Cs  Cs1  1  0.339  0.902  0.691  1.0
  Cs  Cs2  1  0.691  0.339  0.902  1.0
  Cs  Cs3  1  0.839  0.191  0.402  1.0
  Cs  Cs4  1  0.402  0.839  0.191  1.0
  Cs  Cs5  1  0.191  0.402  0.839  1.0
  Cs  Cs6  1  0.098  0.309  0.661  1.0
  Cs  Cs7  1  0.661  0.098  0.309  1.0
  Cs  Cs8  1  0.309  0.661  0.098  1.0
  Cs  Cs9  1  0.161  0.809  0.598  1.0
  Cs  Cs10  1  0.598  0.161  0.809  1.0
  Cs  Cs11  1  0.809  0.598  0.161  1.0
  Cs  Cs12  1  0.925  0.925  0.925  1.0
  Cs  Cs13  1  0.425  0.425  0.425  1.0
  Cs  Cs14  1  0.075  0.075  0.075  1.0
  Cs  Cs15  1  0.575  0.575  0.575  1.0
  Ga  Ga16  1  0.938  0.562  0.750  1.0
  Ga  Ga17  1  0.750  0.938  0.562  1.0
  Ga  Ga18  1  0.562  0.750  0.938  1.0
  Ga  Ga19  1  0.250  0.062  0.438  1.0
  Ga  Ga20  1  0.438  0.250  0.062  1.0
  Ga  Ga21  1  0.062  0.438  0.250  1.0
  Ga  Ga22  1  0.294  0.294  0.294  1.0
  Ga  Ga23  1  0.794  0.794  0.794  1.0
  Ga  Ga24  1  0.706  0.706  0.706  1.0
  Ga  Ga25  1  0.206  0.206  0.206  1.0
  Ga  Ga26  1  0.529  0.026  0.276  1.0
  Ga  Ga27  1  0.276  0.529  0.026  1.0
  Ga  Ga28  1  0.026  0.276  0.529  1.0
  Ga  Ga29  1  0.776  0.526  0.029  1.0
  Ga  Ga30  1  0.029  0.776  0.526  1.0
  Ga  Ga31  1  0.526  0.029  0.776  1.0
  Ga  Ga32  1  0.471  0.974  0.724  1.0
  Ga  Ga33  1  0.724  0.471  0.974  1.0
  Ga  Ga34  1  0.974  0.724  0.471  1.0
  Ga  Ga35  1  0.224  0.474  0.971  1.0
  Ga  Ga36  1  0.971  0.224  0.474  1.0
  Ga  Ga37  1  0.474  0.971  0.224  1.0
  Cl  Cl38  1  0.000  0.000  0.000  1.0
  Cl  Cl39  1  0.500  0.500  0.500  1.0
[/CIF]
.