data_global
_amcsd_formula_title 'F6 Fe2 H4 N'
loop_
_publ_author_name
'Ferey G'
'le Blanc M'
'de Pape R'
_journal_name_full 'Journal of Solid State Chemistry'
_journal_volume 40 
_journal_year 1981
_journal_page_first 1
_journal_page_last 7
_publ_section_title
;
 Crystal Structure of the Ordered Pyrochlore N H4 Fe(II) Fe(III) F6
 Structural Correlations with Fe2 F5 (H2 O)2 and Its Dehydration
 Product Fe2 F5 H2 O
 _cod_database_code 1000174
;
_database_code_amcsd 0013420
_chemical_formula_sum 'N Fe2 F6'
_cell_length_a 7.045
_cell_length_b 7.454
_cell_length_c 10.116
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 531.226
_exptl_crystal_density_diffrn      2.997
_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   0.00280   0.25000   0.62080
Fe1   0.00000   0.00000   0.00000
Fe2   0.20430   0.25000   0.26810
F1  -0.06270   0.25000   0.33980
F2   0.06330   0.25000   0.96710
F3   0.12670   0.49010   0.16680
F4   0.76550   0.43680   0.08250