The material structure described by KGaBr4 crystallizes in the trigonal R3c space group. K(1) is bonded in a 7-coordinate geometry to one Br(1), two equivalent Br(2), two equivalent Br(3), and two equivalent Br(4) atoms. Ga(1) is bonded in a tetrahedral geometry to one Br(1), one Br(2), one Br(3), and one Br(4) atom. There are four inequivalent Br sites. In the first Br site, Br(1) is bonded in an L-shaped geometry to one K(1) and one Ga(1) atom. In the second Br site, Br(2) is bonded in a 3-coordinate geometry to two equivalent K(1) and one Ga(1) atom. In the third Br site, Br(3) is bonded in a distorted single-bond geometry to two equivalent K(1) and one Ga(1) atom. In the fourth Br site, Br(4) is bonded in a 3-coordinate geometry to two equivalent K(1) and one Ga(1) atom. is represented by the CIF file [CIF]
data_KGaBr4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.222
_cell_length_b   13.222
_cell_length_c   13.222
_cell_angle_alpha   115.194
_cell_angle_beta   115.194
_cell_angle_gamma   115.194
_symmetry_Int_Tables_number   1
_cell_volume   1270.499
_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
  K  K0  1  0.882  0.694  0.099  1.0
  K  K1  1  0.099  0.882  0.694  1.0
  K  K2  1  0.694  0.099  0.882  1.0
  K  K3  1  0.194  0.382  0.599  1.0
  K  K4  1  0.599  0.194  0.382  1.0
  K  K5  1  0.382  0.599  0.194  1.0
  Ga  Ga6  1  0.872  0.084  0.687  1.0
  Ga  Ga7  1  0.687  0.872  0.084  1.0
  Ga  Ga8  1  0.084  0.687  0.872  1.0
  Ga  Ga9  1  0.584  0.372  0.187  1.0
  Ga  Ga10  1  0.187  0.584  0.372  1.0
  Ga  Ga11  1  0.372  0.187  0.584  1.0
  Br  Br12  1  0.970  0.125  0.910  1.0
  Br  Br13  1  0.910  0.970  0.125  1.0
  Br  Br14  1  0.125  0.910  0.970  1.0
  Br  Br15  1  0.625  0.470  0.410  1.0
  Br  Br16  1  0.410  0.625  0.470  1.0
  Br  Br17  1  0.470  0.410  0.625  1.0
  Br  Br18  1  0.079  0.329  0.784  1.0
  Br  Br19  1  0.784  0.079  0.329  1.0
  Br  Br20  1  0.329  0.784  0.079  1.0
  Br  Br21  1  0.829  0.579  0.284  1.0
  Br  Br22  1  0.284  0.829  0.579  1.0
  Br  Br23  1  0.579  0.284  0.829  1.0
  Br  Br24  1  0.634  0.021  0.559  1.0
  Br  Br25  1  0.559  0.634  0.021  1.0
  Br  Br26  1  0.021  0.559  0.634  1.0
  Br  Br27  1  0.521  0.134  0.059  1.0
  Br  Br28  1  0.059  0.521  0.134  1.0
  Br  Br29  1  0.134  0.059  0.521  1.0
  Br  Br30  1  0.801  0.860  0.488  1.0
  Br  Br31  1  0.488  0.801  0.860  1.0
  Br  Br32  1  0.860  0.488  0.801  1.0
  Br  Br33  1  0.360  0.301  0.988  1.0
  Br  Br34  1  0.988  0.360  0.301  1.0
  Br  Br35  1  0.301  0.988  0.360  1.0
[/CIF]
.
The material structure described by KGaBr4 crystallizes in the trigonal R3c space group. K(1) is bonded in a 7-coordinate geometry to one Br(1), two equivalent Br(2), two equivalent Br(3), and two equivalent Br(4) atoms. Ga(1) is bonded in a tetrahedral geometry to one Br(1), one Br(2), one Br(3), and one Br(4) atom. There are four inequivalent Br sites. In the first Br site, Br(1) is bonded in an L-shaped geometry to one K(1) and one Ga(1) atom. In the second Br site, Br(2) is bonded in a 3-coordinate geometry to two equivalent K(1) and one Ga(1) atom. In the third Br site, Br(3) is bonded in a distorted single-bond geometry to two equivalent K(1) and one Ga(1) atom. In the fourth Br site, Br(4) is bonded in a 3-coordinate geometry to two equivalent K(1) and one Ga(1) atom. is represented by the CIF file [CIF]
data_KGaBr4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.222
_cell_length_b   13.222
_cell_length_c   13.222
_cell_angle_alpha   115.194
_cell_angle_beta   115.194
_cell_angle_gamma   115.194
_symmetry_Int_Tables_number   1
_cell_volume   1270.499
_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
  K  K0  1  0.882  0.694  0.099  1.0
  K  K1  1  0.099  0.882  0.694  1.0
  K  K2  1  0.694  0.099  0.882  1.0
  K  K3  1  0.194  0.382  0.599  1.0
  K  K4  1  0.599  0.194  0.382  1.0
  K  K5  1  0.382  0.599  0.194  1.0
  Ga  Ga6  1  0.872  0.084  0.687  1.0
  Ga  Ga7  1  0.687  0.872  0.084  1.0
  Ga  Ga8  1  0.084  0.687  0.872  1.0
  Ga  Ga9  1  0.584  0.372  0.187  1.0
  Ga  Ga10  1  0.187  0.584  0.372  1.0
  Ga  Ga11  1  0.372  0.187  0.584  1.0
  Br  Br12  1  0.970  0.125  0.910  1.0
  Br  Br13  1  0.910  0.970  0.125  1.0
  Br  Br14  1  0.125  0.910  0.970  1.0
  Br  Br15  1  0.625  0.470  0.410  1.0
  Br  Br16  1  0.410  0.625  0.470  1.0
  Br  Br17  1  0.470  0.410  0.625  1.0
  Br  Br18  1  0.079  0.329  0.784  1.0
  Br  Br19  1  0.784  0.079  0.329  1.0
  Br  Br20  1  0.329  0.784  0.079  1.0
  Br  Br21  1  0.829  0.579  0.284  1.0
  Br  Br22  1  0.284  0.829  0.579  1.0
  Br  Br23  1  0.579  0.284  0.829  1.0
  Br  Br24  1  0.634  0.021  0.559  1.0
  Br  Br25  1  0.559  0.634  0.021  1.0
  Br  Br26  1  0.021  0.559  0.634  1.0
  Br  Br27  1  0.521  0.134  0.059  1.0
  Br  Br28  1  0.059  0.521  0.134  1.0
  Br  Br29  1  0.134  0.059  0.521  1.0
  Br  Br30  1  0.801  0.860  0.488  1.0
  Br  Br31  1  0.488  0.801  0.860  1.0
  Br  Br32  1  0.860  0.488  0.801  1.0
  Br  Br33  1  0.360  0.301  0.988  1.0
  Br  Br34  1  0.988  0.360  0.301  1.0
  Br  Br35  1  0.301  0.988  0.360  1.0
[/CIF]
.