data_global
_amcsd_formula_title 'F5 Fe H8 N2'
loop_
_publ_author_name
'Croguennec L'
'Deniard P'
'Brec R'
'Couzi M'
'Sourisseau C'
'Fourquet J'
'Calage Y'
_journal_name_full 'Journal of Solid State Chemistry'
_journal_volume 131 
_journal_year 1997
_journal_page_first 189
_journal_page_last 197
_publ_section_title
;
 Structural and spectroscopic evidence for hydrogen bonding induced (N
 H4)(+) cation ordering in beta-(N H4)2 Fe F5 at low temperature
 _cod_database_code 1000446
;
_database_code_amcsd 0013925
_chemical_formula_sum 'N2 Fe F5 H4'
_cell_length_a 6.3269
_cell_length_b 7.6076
_cell_length_c 10.9802
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 528.505
_exptl_crystal_density_diffrn      2.298
_symmetry_space_group_name_H-M 'P n m a'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,1/2-y,z'
  '-x,1/2+y,-z'
  '1/2-x,1/2+y,1/2+z'
  '1/2+x,1/2-y,1/2-z'
  '1/2+x,y,1/2-z'
  '1/2-x,-y,1/2+z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
N1   0.44200   0.25000   0.19800
N2   0.51200   0.25000   0.85400
Fe1   0.00000   0.00000   0.00000
F1   0.08100   0.25000  -0.00200
F2   0.22500   0.04500   0.44200
F3   0.10200   0.54600   0.16300
H1   0.42600   0.35730   0.87200
H2   0.64000   0.25000   0.90000
H3   0.55000   0.25000   0.76600