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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/2/10/63/2106342.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_2106342
loop_
_publ_author_name
'Hurst, H.J.'
'Taylor, J.C.'
_publ_section_title
;
 A neutron diffraction analysis of the disorder in ammonium
 heptafluorozirconate
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              2136
_journal_page_last               2137
_journal_volume                  26
_journal_year                    1970
_chemical_formula_sum            'F7 H12 N3 Zr'
_chemical_name_systematic        '(N H4)3 Zr F7'
_space_group_IT_number           225
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.419
_cell_length_b                   9.419
_cell_length_c                   9.419
_cell_volume                     835.631
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Hurst_ACBCAR_1970_1038.cif
_cod_data_source_block           H12F7N3Zr1
_cod_original_cell_volume        835.6306
_cod_original_formula_sum        'H12 F7 N3 Zr1'
_cod_database_code               2106342
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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
N1 N-3 0 0 0.5 1 0.0
H3 H+1 0.168 0.168 0.2259 0.111 0.0
H2 H+1 0.2342 0.2104 0.156 0.111 0.0
N2 N-3 0.25 0.25 0.25 1 0.0
H1 H+1 0 0.0329 0.3914 0.167 0.0
F2 F-1 0 0.1317 0.188 0.083 0.0
Zr1 Zr+4 0 0 0 1 0.0
F1 F-1 0 0.0462 0.2062 0.208 0.0
