The material described by KMoF6(NH4)2 is High-temperature superconductor-derived structured and crystallizes in the cubic Fm-3m space group. The structure consists of eight ammonium molecules inside a KMoF6 framework. In the KMoF6 framework, K(1) is bonded to six equivalent F(1) atoms to form KF6 octahedra that share corners with six equivalent Mo(1)F6 octahedra. The corner-sharing octahedra are not tilted. Mo(1) is bonded to six equivalent F(1) atoms to form MoF6 octahedra that share corners with six equivalent K(1)F6 octahedra. The corner-sharing octahedra are not tilted. F(1) is bonded in a linear geometry to one K(1) and one Mo(1) atom. is represented by the CIF card [CIF]
data_KMoH8(NF3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.597
_cell_length_b   6.597
_cell_length_c   6.597
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   203.037
_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
  K  K0  1  0.500  0.500  0.500  1.0
  Mo  Mo1  1  0.000  0.000  0.000  1.0
  H  H2  1  0.814  0.814  0.814  1.0
  H  H3  1  0.186  0.186  0.186  1.0
  H  H4  1  0.558  0.814  0.814  1.0
  H  H5  1  0.814  0.558  0.814  1.0
  H  H6  1  0.442  0.186  0.186  1.0
  H  H7  1  0.186  0.442  0.186  1.0
  H  H8  1  0.814  0.814  0.558  1.0
  H  H9  1  0.186  0.186  0.442  1.0
  N  N10  1  0.750  0.750  0.750  1.0
  N  N11  1  0.250  0.250  0.250  1.0
  F  F12  1  0.776  0.776  0.224  1.0
  F  F13  1  0.224  0.224  0.776  1.0
  F  F14  1  0.776  0.224  0.776  1.0
  F  F15  1  0.224  0.776  0.224  1.0
  F  F16  1  0.224  0.776  0.776  1.0
  F  F17  1  0.776  0.224  0.224  1.0
[/CIF]
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The material described by KMoF6(NH4)2 is High-temperature superconductor-derived structured and crystallizes in the cubic Fm-3m space group. The structure consists of eight ammonium molecules inside a KMoF6 framework. In the KMoF6 framework, K(1) is bonded to six equivalent F(1) atoms to form KF6 octahedra that share corners with six equivalent Mo(1)F6 octahedra. The corner-sharing octahedra are not tilted. Mo(1) is bonded to six equivalent F(1) atoms to form MoF6 octahedra that share corners with six equivalent K(1)F6 octahedra. The corner-sharing octahedra are not tilted. F(1) is bonded in a linear geometry to one K(1) and one Mo(1) atom. is represented by the CIF card [CIF]
data_KMoH8(NF3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.597
_cell_length_b   6.597
_cell_length_c   6.597
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   203.037
_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
  K  K0  1  0.500  0.500  0.500  1.0
  Mo  Mo1  1  0.000  0.000  0.000  1.0
  H  H2  1  0.814  0.814  0.814  1.0
  H  H3  1  0.186  0.186  0.186  1.0
  H  H4  1  0.558  0.814  0.814  1.0
  H  H5  1  0.814  0.558  0.814  1.0
  H  H6  1  0.442  0.186  0.186  1.0
  H  H7  1  0.186  0.442  0.186  1.0
  H  H8  1  0.814  0.814  0.558  1.0
  H  H9  1  0.186  0.186  0.442  1.0
  N  N10  1  0.750  0.750  0.750  1.0
  N  N11  1  0.250  0.250  0.250  1.0
  F  F12  1  0.776  0.776  0.224  1.0
  F  F13  1  0.224  0.224  0.776  1.0
  F  F14  1  0.776  0.224  0.776  1.0
  F  F15  1  0.224  0.776  0.224  1.0
  F  F16  1  0.224  0.776  0.776  1.0
  F  F17  1  0.776  0.224  0.224  1.0
[/CIF]
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