The material structure described by Cs6GaSb3 is alpha Pu-derived structured and crystallizes in the monoclinic P2_1/m space group. There are six inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 4-coordinate geometry to three equivalent Sb(2) and three equivalent Sb(3) atoms. In the second Cs site, Cs(2) is bonded in a 3-coordinate geometry to one Sb(1), one Sb(3), and two equivalent Sb(2) atoms. In the third Cs site, Cs(3) is bonded in a 4-coordinate geometry to three equivalent Sb(1) and three equivalent Sb(2) atoms. In the fourth Cs site, Cs(4) is bonded to one Sb(2) and three equivalent Sb(3) atoms to form a mixture of distorted edge and corner-sharing CsSb4 tetrahedra. In the fifth Cs site, Cs(5) is bonded in a 7-coordinate geometry to two equivalent Ga(1), two equivalent Sb(3), and three equivalent Sb(1) atoms. In the sixth Cs site, Cs(6) is bonded in a 4-coordinate geometry to one Sb(2), one Sb(3), and three equivalent Sb(1) atoms. Ga(1) is bonded in a distorted trigonal planar geometry to two equivalent Cs(5), one Sb(1), one Sb(2), and one Sb(3) atom. There are three inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 11-coordinate geometry to one Cs(2), three equivalent Cs(3), three equivalent Cs(5), three equivalent Cs(6), and one Ga(1) atom. In the second Sb site, Sb(2) is bonded in a 11-coordinate geometry to one Cs(4), one Cs(6), two equivalent Cs(2), three equivalent Cs(1), three equivalent Cs(3), and one Ga(1) atom. In the third Sb site, Sb(3) is bonded in a 11-coordinate geometry to one Cs(2), one Cs(6), two equivalent Cs(5), three equivalent Cs(1), three equivalent Cs(4), and one Ga(1) atom. is represented by the CIF card [CIF]
data_Cs6GaSb3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.534
_cell_length_b   11.014
_cell_length_c   12.874
_cell_angle_alpha   78.866
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   909.067
_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  0.750  0.456  0.078  1.0
  Cs  Cs1  1  0.250  0.544  0.922  1.0
  Cs  Cs2  1  0.750  0.749  0.222  1.0
  Cs  Cs3  1  0.250  0.251  0.778  1.0
  Cs  Cs4  1  0.250  0.555  0.550  1.0
  Cs  Cs5  1  0.750  0.445  0.450  1.0
  Cs  Cs6  1  0.250  0.865  0.022  1.0
  Cs  Cs7  1  0.750  0.135  0.978  1.0
  Cs  Cs8  1  0.250  0.876  0.675  1.0
  Cs  Cs9  1  0.750  0.124  0.325  1.0
  Cs  Cs10  1  0.250  0.907  0.368  1.0
  Cs  Cs11  1  0.750  0.093  0.632  1.0
  Ga  Ga12  1  0.750  0.677  0.720  1.0
  Ga  Ga13  1  0.250  0.323  0.280  1.0
  Sb  Sb14  1  0.250  0.214  0.481  1.0
  Sb  Sb15  1  0.750  0.786  0.519  1.0
  Sb  Sb16  1  0.250  0.565  0.232  1.0
  Sb  Sb17  1  0.750  0.435  0.768  1.0
  Sb  Sb18  1  0.750  0.811  0.875  1.0
  Sb  Sb19  1  0.250  0.189  0.125  1.0
[/CIF]
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The material structure described by Cs6GaSb3 is alpha Pu-derived structured and crystallizes in the monoclinic P2_1/m space group. There are six inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 4-coordinate geometry to three equivalent Sb(2) and three equivalent Sb(3) atoms. In the second Cs site, Cs(2) is bonded in a 3-coordinate geometry to one Sb(1), one Sb(3), and two equivalent Sb(2) atoms. In the third Cs site, Cs(3) is bonded in a 4-coordinate geometry to three equivalent Sb(1) and three equivalent Sb(2) atoms. In the fourth Cs site, Cs(4) is bonded to one Sb(2) and three equivalent Sb(3) atoms to form a mixture of distorted edge and corner-sharing CsSb4 tetrahedra. In the fifth Cs site, Cs(5) is bonded in a 7-coordinate geometry to two equivalent Ga(1), two equivalent Sb(3), and three equivalent Sb(1) atoms. In the sixth Cs site, Cs(6) is bonded in a 4-coordinate geometry to one Sb(2), one Sb(3), and three equivalent Sb(1) atoms. Ga(1) is bonded in a distorted trigonal planar geometry to two equivalent Cs(5), one Sb(1), one Sb(2), and one Sb(3) atom. There are three inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 11-coordinate geometry to one Cs(2), three equivalent Cs(3), three equivalent Cs(5), three equivalent Cs(6), and one Ga(1) atom. In the second Sb site, Sb(2) is bonded in a 11-coordinate geometry to one Cs(4), one Cs(6), two equivalent Cs(2), three equivalent Cs(1), three equivalent Cs(3), and one Ga(1) atom. In the third Sb site, Sb(3) is bonded in a 11-coordinate geometry to one Cs(2), one Cs(6), two equivalent Cs(5), three equivalent Cs(1), three equivalent Cs(4), and one Ga(1) atom. is represented by the CIF card [CIF]
data_Cs6GaSb3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.534
_cell_length_b   11.014
_cell_length_c   12.874
_cell_angle_alpha   78.866
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   909.067
_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  0.750  0.456  0.078  1.0
  Cs  Cs1  1  0.250  0.544  0.922  1.0
  Cs  Cs2  1  0.750  0.749  0.222  1.0
  Cs  Cs3  1  0.250  0.251  0.778  1.0
  Cs  Cs4  1  0.250  0.555  0.550  1.0
  Cs  Cs5  1  0.750  0.445  0.450  1.0
  Cs  Cs6  1  0.250  0.865  0.022  1.0
  Cs  Cs7  1  0.750  0.135  0.978  1.0
  Cs  Cs8  1  0.250  0.876  0.675  1.0
  Cs  Cs9  1  0.750  0.124  0.325  1.0
  Cs  Cs10  1  0.250  0.907  0.368  1.0
  Cs  Cs11  1  0.750  0.093  0.632  1.0
  Ga  Ga12  1  0.750  0.677  0.720  1.0
  Ga  Ga13  1  0.250  0.323  0.280  1.0
  Sb  Sb14  1  0.250  0.214  0.481  1.0
  Sb  Sb15  1  0.750  0.786  0.519  1.0
  Sb  Sb16  1  0.250  0.565  0.232  1.0
  Sb  Sb17  1  0.750  0.435  0.768  1.0
  Sb  Sb18  1  0.750  0.811  0.875  1.0
  Sb  Sb19  1  0.250  0.189  0.125  1.0
[/CIF]
.