data_global
_amcsd_formula_title 'NH4(FeF4)'
loop_
_publ_author_name
'Leblanc M'
'Ferey G'
'Pape R'
_journal_name_full 'Acta Crystallographica, Section C'
_journal_volume 41 
_journal_year 1985
_journal_page_first 657
_journal_page_last 660
_publ_section_title
;
 Room-Temperature Structure of Ammonium Tetrafluorate(III), NH4(FeF4)
 _cod_database_code 1000206
;
_database_code_amcsd 0010006
_chemical_formula_sum 'Fe F4 N'
_cell_length_a 7.559
_cell_length_b 7.575
_cell_length_c 12.754
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 730.287
_exptl_crystal_density_diffrn      2.653
_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
Fe1   0.00000   0.00000   0.00000
Fe2   0.00000   0.00000   0.50000
F1   0.03640   0.25000  -0.03090
F2   0.25010   0.00470   0.46950
F3   0.44920   0.25000   0.01870
F4   0.04840   0.03520   0.14180
F5   0.03600   0.03310   0.64380
N1   0.28800   0.25000   0.25620
N2   0.27470   0.25000   0.75940
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Fe1 0.00760 0.00840 0.01140 -0.00030 0.00000 0.00020
Fe2 0.00660 0.00440 0.01080 -0.00010 -0.00010 0.00020
F1 0.02440 0.00760 0.03680 0.00000 0.00890 0.00000
F2 0.00850 0.02000 0.03500 0.00900 0.00040 -0.00360
F3 0.01800 0.00650 0.03670 0.00000 0.00600 0.00000
F4 0.02690 0.02960 0.01710 -0.00560 -0.00490 -0.00100
F5 0.02610 0.02880 0.01030 -0.00260 -0.00370 0.00330
N1 0.03500 0.02620 0.01570 0.00000 -0.00680 0.00000
N2 0.01930 0.02490 0.02540 0.00000 -0.00170 0.00000