The material described by (NH4)2NaGaF6 is High-temperature superconductor-derived structured and crystallizes in the cubic Fm-3m space group. The structure consists of eight ammonium molecules inside a NaGaF6 framework. In the NaGaF6 framework, Na(1) is bonded to six equivalent F(1) atoms to form NaF6 octahedra that share corners with six equivalent Ga(1)F6 octahedra. The corner-sharing octahedra are not tilted. Ga(1) is bonded to six equivalent F(1) atoms to form GaF6 octahedra that share corners with six equivalent Na(1)F6 octahedra. The corner-sharing octahedra are not tilted. F(1) is bonded in a linear geometry to one Na(1) and one Ga(1) atom. is represented by the CIF file [CIF]
data_NaGaH8(NF3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.061
_cell_length_b   6.061
_cell_length_c   6.061
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   157.427
_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
  Na  Na0  1  0.500  0.500  0.500  1.0
  Ga  Ga1  1  0.000  0.000  0.000  1.0
  H  H2  1  0.181  0.181  0.458  1.0
  H  H3  1  0.181  0.458  0.181  1.0
  H  H4  1  0.458  0.181  0.181  1.0
  H  H5  1  0.181  0.181  0.181  1.0
  H  H6  1  0.819  0.819  0.819  1.0
  H  H7  1  0.542  0.819  0.819  1.0
  H  H8  1  0.819  0.542  0.819  1.0
  H  H9  1  0.819  0.819  0.542  1.0
  N  N10  1  0.250  0.250  0.250  1.0
  N  N11  1  0.750  0.750  0.750  1.0
  F  F12  1  0.775  0.225  0.775  1.0
  F  F13  1  0.225  0.775  0.775  1.0
  F  F14  1  0.775  0.775  0.225  1.0
  F  F15  1  0.225  0.225  0.775  1.0
  F  F16  1  0.775  0.225  0.225  1.0
  F  F17  1  0.225  0.775  0.225  1.0
[/CIF]
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The material described by (NH4)2NaGaF6 is High-temperature superconductor-derived structured and crystallizes in the cubic Fm-3m space group. The structure consists of eight ammonium molecules inside a NaGaF6 framework. In the NaGaF6 framework, Na(1) is bonded to six equivalent F(1) atoms to form NaF6 octahedra that share corners with six equivalent Ga(1)F6 octahedra. The corner-sharing octahedra are not tilted. Ga(1) is bonded to six equivalent F(1) atoms to form GaF6 octahedra that share corners with six equivalent Na(1)F6 octahedra. The corner-sharing octahedra are not tilted. F(1) is bonded in a linear geometry to one Na(1) and one Ga(1) atom. is represented by the CIF file [CIF]
data_NaGaH8(NF3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.061
_cell_length_b   6.061
_cell_length_c   6.061
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   157.427
_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
  Na  Na0  1  0.500  0.500  0.500  1.0
  Ga  Ga1  1  0.000  0.000  0.000  1.0
  H  H2  1  0.181  0.181  0.458  1.0
  H  H3  1  0.181  0.458  0.181  1.0
  H  H4  1  0.458  0.181  0.181  1.0
  H  H5  1  0.181  0.181  0.181  1.0
  H  H6  1  0.819  0.819  0.819  1.0
  H  H7  1  0.542  0.819  0.819  1.0
  H  H8  1  0.819  0.542  0.819  1.0
  H  H9  1  0.819  0.819  0.542  1.0
  N  N10  1  0.250  0.250  0.250  1.0
  N  N11  1  0.750  0.750  0.750  1.0
  F  F12  1  0.775  0.225  0.775  1.0
  F  F13  1  0.225  0.775  0.775  1.0
  F  F14  1  0.775  0.775  0.225  1.0
  F  F15  1  0.225  0.225  0.775  1.0
  F  F16  1  0.775  0.225  0.225  1.0
  F  F17  1  0.225  0.775  0.225  1.0
[/CIF]
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