The material described by Cs2NbAgF6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. Cs(1) is bonded to twelve equivalent F(1) atoms to form CsF12 cuboctahedra that share corners with twelve equivalent Cs(1)F12 cuboctahedra, faces with six equivalent Cs(1)F12 cuboctahedra, faces with four equivalent Nb(1)F6 octahedra, and faces with four equivalent Ag(1)F6 octahedra. Nb(1) is bonded to six equivalent F(1) atoms to form NbF6 octahedra that share corners with six equivalent Ag(1)F6 octahedra and faces with eight equivalent Cs(1)F12 cuboctahedra. The corner-sharing octahedra are not tilted. Ag(1) is bonded to six equivalent F(1) atoms to form AgF6 octahedra that share corners with six equivalent Nb(1)F6 octahedra and faces with eight equivalent Cs(1)F12 cuboctahedra. The corner-sharing octahedra are not tilted. F(1) is bonded in a 6-coordinate geometry to four equivalent Cs(1), one Nb(1), and one Ag(1) atom. is represented by the CIF file [CIF]
data_Cs2NbAgF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.542
_cell_length_b   6.542
_cell_length_c   6.542
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   197.934
_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
  Nb  Nb2  1  0.000  0.000  0.000  1.0
  Ag  Ag3  1  0.500  0.500  0.500  1.0
  F  F4  1  0.229  0.229  0.771  1.0
  F  F5  1  0.229  0.771  0.771  1.0
  F  F6  1  0.771  0.771  0.229  1.0
  F  F7  1  0.229  0.771  0.229  1.0
  F  F8  1  0.771  0.229  0.771  1.0
  F  F9  1  0.771  0.229  0.229  1.0
[/CIF]
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The material described by Cs2NbAgF6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. Cs(1) is bonded to twelve equivalent F(1) atoms to form CsF12 cuboctahedra that share corners with twelve equivalent Cs(1)F12 cuboctahedra, faces with six equivalent Cs(1)F12 cuboctahedra, faces with four equivalent Nb(1)F6 octahedra, and faces with four equivalent Ag(1)F6 octahedra. Nb(1) is bonded to six equivalent F(1) atoms to form NbF6 octahedra that share corners with six equivalent Ag(1)F6 octahedra and faces with eight equivalent Cs(1)F12 cuboctahedra. The corner-sharing octahedra are not tilted. Ag(1) is bonded to six equivalent F(1) atoms to form AgF6 octahedra that share corners with six equivalent Nb(1)F6 octahedra and faces with eight equivalent Cs(1)F12 cuboctahedra. The corner-sharing octahedra are not tilted. F(1) is bonded in a 6-coordinate geometry to four equivalent Cs(1), one Nb(1), and one Ag(1) atom. is represented by the CIF file [CIF]
data_Cs2NbAgF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.542
_cell_length_b   6.542
_cell_length_c   6.542
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   197.934
_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
  Nb  Nb2  1  0.000  0.000  0.000  1.0
  Ag  Ag3  1  0.500  0.500  0.500  1.0
  F  F4  1  0.229  0.229  0.771  1.0
  F  F5  1  0.229  0.771  0.771  1.0
  F  F6  1  0.771  0.771  0.229  1.0
  F  F7  1  0.229  0.771  0.229  1.0
  F  F8  1  0.771  0.229  0.771  1.0
  F  F9  1  0.771  0.229  0.229  1.0
[/CIF]
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