The material described by Cs2AlH6Ga crystallizes in the cubic Fm-3m space group. The structure consists of four 7440-55-3 atoms inside a Cs2AlH6 framework. In the Cs2AlH6 framework, Cs(1) is bonded to twelve equivalent H(1) atoms to form distorted CsH12 cuboctahedra that share corners with twelve equivalent Cs(1)H12 cuboctahedra, faces with six equivalent Cs(1)H12 cuboctahedra, and faces with four equivalent Al(1)H6 octahedra. Al(1) is bonded to six equivalent H(1) atoms to form AlH6 octahedra that share faces with eight equivalent Cs(1)H12 cuboctahedra. H(1) is bonded in a single-bond geometry to four equivalent Cs(1) and one Al(1) atom. is represented by the CIF card [CIF]
data_Cs2AlGaH6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.130
_cell_length_b   6.130
_cell_length_c   6.130
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   162.863
_cell_formula_units_Z   1
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  0.250  0.250  0.250  1.0
  Cs  Cs1  1  0.750  0.750  0.750  1.0
  Al  Al2  1  0.500  0.500  0.500  1.0
  Ga  Ga3  1  0.000  0.000  0.000  1.0
  H  H4  1  0.292  0.708  0.708  1.0
  H  H5  1  0.292  0.708  0.292  1.0
  H  H6  1  0.708  0.292  0.708  1.0
  H  H7  1  0.708  0.708  0.292  1.0
  H  H8  1  0.292  0.292  0.708  1.0
  H  H9  1  0.708  0.292  0.292  1.0
[/CIF]
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The material described by Cs2AlH6Ga crystallizes in the cubic Fm-3m space group. The structure consists of four 7440-55-3 atoms inside a Cs2AlH6 framework. In the Cs2AlH6 framework, Cs(1) is bonded to twelve equivalent H(1) atoms to form distorted CsH12 cuboctahedra that share corners with twelve equivalent Cs(1)H12 cuboctahedra, faces with six equivalent Cs(1)H12 cuboctahedra, and faces with four equivalent Al(1)H6 octahedra. Al(1) is bonded to six equivalent H(1) atoms to form AlH6 octahedra that share faces with eight equivalent Cs(1)H12 cuboctahedra. H(1) is bonded in a single-bond geometry to four equivalent Cs(1) and one Al(1) atom. is represented by the CIF card [CIF]
data_Cs2AlGaH6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.130
_cell_length_b   6.130
_cell_length_c   6.130
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   162.863
_cell_formula_units_Z   1
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  0.250  0.250  0.250  1.0
  Cs  Cs1  1  0.750  0.750  0.750  1.0
  Al  Al2  1  0.500  0.500  0.500  1.0
  Ga  Ga3  1  0.000  0.000  0.000  1.0
  H  H4  1  0.292  0.708  0.708  1.0
  H  H5  1  0.292  0.708  0.292  1.0
  H  H6  1  0.708  0.292  0.708  1.0
  H  H7  1  0.708  0.708  0.292  1.0
  H  H8  1  0.292  0.292  0.708  1.0
  H  H9  1  0.708  0.292  0.292  1.0
[/CIF]
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