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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/2/10/64/2106414.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# 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_2106414
loop_
_publ_author_name
'Penneman, R.A.'
'Ryan, R.R.'
'Kressin, I.K.'
_publ_section_title
;
 The Crystal Structure of Ammonium Heptafluorothorate, Ammonium
 Catena-di-mue-fluoro-pentafluorothorate(IV)
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              2279
_journal_page_last               2283
_journal_volume                  27
_journal_year                    1971
_chemical_formula_sum            'F7 H12 N3 Th'
_chemical_name_systematic        '(N H4)3 Th F7'
_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_formula_units_Z            4
_cell_length_a                   13.944
_cell_length_b                   7.928
_cell_length_c                   7.041
_cell_volume                     778.369
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Penneman_ACBCAR_1971_931.cif
_cod_data_source_block           H12F7N3Th1
_cod_original_cell_volume        778.3687
_cod_original_formula_sum        'H12 F7 N3 Th1'
_cod_database_code               2106414
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x+1/2,-y+1/2,-z+1/2
-x,y+1/2,-z
-x,-y,-z
x-1/2,y,-z-1/2
-x-1/2,y-1/2,z-1/2
x,-y-1/2,z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
F4 F-1 0.1885 0.0788 0.1172 1 0.0
F1 F-1 0.9488 0.25 0.7809 1 0.0
N2 N-3 0.381 0.0444 0.9997 1 0.0
F2 F-1 0.6593 0.25 0.7483 1 0.0
N1 N-3 0.2787 0.25 0.455 1 0.0
F3 F-1 0.5596 0.25 0.1517 1 0.0
Th1 Th+4 0.0658 0.25 0.01241 1 0.0
F5 F-1 0.9464 0.0505 0.1306 1 0.0
