|
|
|
|
|
data_AgF2 |
|
|
_symmetry_space_group_name_H-M 'P 1' |
|
|
_cell_length_a 5.15029714 |
|
|
_cell_length_b 5.61804978 |
|
|
_cell_length_c 5.73745983 |
|
|
_cell_angle_alpha 90.00000000 |
|
|
_cell_angle_beta 90.00000000 |
|
|
_cell_angle_gamma 90.00000000 |
|
|
_symmetry_Int_Tables_number 1 |
|
|
_chemical_formula_structural AgF2 |
|
|
_chemical_formula_sum 'Ag4 F8' |
|
|
_cell_volume 166.01125277 |
|
|
_cell_formula_units_Z 4 |
|
|
loop_ |
|
|
_symmetry_equiv_pos_site_id |
|
|
_symmetry_equiv_pos_as_xyz |
|
|
1 'x, y, z' |
|
|
loop_ |
|
|
_atom_type_symbol |
|
|
_atom_type_oxidation_number |
|
|
Ag2+ 2.0 |
|
|
F- -1.0 |
|
|
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 |
|
|
Ag2+ Ag0 1 0.50000000 0.00000000 0.50000000 1 |
|
|
Ag2+ Ag1 1 0.00000000 0.50000000 0.50000000 1 |
|
|
Ag2+ Ag2 1 0.50000000 0.50000000 0.00000000 1 |
|
|
Ag2+ Ag3 1 0.00000000 0.00000000 0.00000000 1 |
|
|
F- F4 1 0.68411866 0.30511619 0.62873397 1 |
|
|
F- F5 1 0.18411866 0.19488381 0.37126603 1 |
|
|
F- F6 1 0.31588134 0.80511619 0.87126603 1 |
|
|
F- F7 1 0.81588134 0.69488381 0.12873397 1 |
|
|
F- F8 1 0.18411866 0.30511619 0.87126603 1 |
|
|
F- F9 1 0.68411866 0.19488381 0.12873397 1 |
|
|
F- F10 1 0.81588134 0.80511619 0.62873397 1 |
|
|
F- F11 1 0.31588134 0.69488381 0.37126603 1 |
|
|
|
