#------------------------------------------------------------------------------
#$Date: 2024-05-23 12:45:01 +0300 (Thu, 23 May 2024) $
#$Revision: 292002 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/56/9015675.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_9015675
loop_
_publ_author_name
'Leblanc, M.'
'Ferey, G.'
'Pape, R.'
_publ_section_title
;
 Room-Temperature Structure of Ammonium Tetrafluorate(III), NH4(FeF4)
 _cod_database_code 1000206
;
_journal_name_full               'Acta Crystallographica, Section C'
_journal_page_first              657
_journal_page_last               660
_journal_paper_doi               10.1107/S0108270185005005
_journal_volume                  41
_journal_year                    1985
_chemical_formula_sum            'F4 Fe N'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   7.559
_cell_length_b                   7.575
_cell_length_c                   12.754
_cell_formula_units_Z            8
_cell_volume                     730.287
_database_code_amcsd             0010006
_exptl_crystal_density_diffrn    2.653
_cod_duplicate_entry             1000206
_cod_original_formula_sum        'Fe F4 N'
_cod_database_code               9015675
_amcsd_formula_title             NH4(FeF4)
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_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0010006
