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#$Date: 2016-02-13 20:28:24 +0100 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/53/54/1535487.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1535487
loop_
_publ_author_name
'Tkachev, V.V.'
'Davidovich, R.L.'
'Atovmyan, L.O.'
_publ_section_title
;
 Crystal structure of waterless ammonium pentafluorozirconate
;
_journal_name_full
;
Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR))
;
_journal_page_first              1483
_journal_page_last               1484
_journal_volume                  17
_journal_year                    1991
_chemical_formula_sum            'F5 H4 N Zr'
_chemical_name_systematic        '(N H4) (Zr F5)'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2bc'
_symmetry_space_group_name_H-M   'P 1 1 21/b'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                121.68
_cell_formula_units_Z            4
_cell_length_a                   7.973
_cell_length_b                   7.923
_cell_length_c                   7.911
_cell_volume                     425.275
_citation_journal_id_ASTM        KOKHDC
_cod_data_source_file            Tkachev_KOKHDC_1991_1221.cif
_cod_data_source_block           H4F5N1Zr1
_cod_original_cell_volume        425.2747
_cod_original_sg_symbol_Hall     '-P 2ybc (-x,z,y)'
_cod_original_formula_sum        'H4 F5 N1 Zr1'
_cod_database_code               1535487
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y+1/2,z+1/2
-x,-y,-z
x,y-1/2,-z-1/2
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
F1 F-1 -0.2892 0.6347 0.2142 1 0.0
F5 F-1 -0.1734 0.9066 -0.003 1 0.0
F3 F-1 0.2821 0.9309 0.2086 1 0.0
Zr1 Zr+4 -0.0048 0.8332 0.1638 1 0.0
F4 F-1 -0.0078 0.0579 0.2925 1 0.0
N1 N-3 0.4197 0.7186 -0.018 1 0.0
F2 F-1 -0.0014 0.7097 -0.0657 1 0.0
