data_global
_chemical_name_mineral 'Kremersite'
loop_
_publ_author_name
'Figgis B N'
'Raston C L'
'Sharma R P'
'White A H'
_journal_name_full 'Australian Journal of Chemistry'
_journal_volume 31 
_journal_year 1978
_journal_page_first 2717
_journal_page_last 2720
_publ_section_title
;
 Crystal structure of diammonium aquapentachloroferrate(III)
;
_database_code_amcsd 0012057
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'N2 H10 Fe Cl5 O'
_cell_length_a 13.706
_cell_length_b 9.924
_cell_length_c 7.024
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 955.393
_exptl_crystal_density_diffrn      1.997
_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
N   0.14130   0.00030   0.65980
H2   0.19570   0.00260   0.62030
H3   0.15540  -0.00110   0.80250
H4   0.11050   0.08010   0.62560
H5   0.10620  -0.06010   0.68020
Fe   0.11630   0.25000   0.18960
Cl1   0.10474   0.01062   0.17610
Cl2   0.00596   0.25000   0.45310
Cl3   0.24782   0.25000   0.39820
Cl4   0.22316   0.25000  -0.07200
O  -0.00340   0.25000   0.00060
H1  -0.02560   0.17040  -0.04710