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#$Date: 2024-05-23 12:45:01 +0300 (Thu, 23 May 2024) $
#$Revision: 292002 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/50/9015093.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_9015093
loop_
_publ_author_name
'Bourgault, M.'
'Ducourant, B.'
'Mascherpa Corral, D.'
'Fourcade, R.'
_publ_section_title
;
 Structure cristalline de Na Sb F3 (N O3) (H2 O). Etude de la
 liaison hydrogene O-H-X (X=Cl, Br, (N O3) )
 _cod_database_code 1008120
;
_journal_name_full               'Journal of Fluorine Chemistry'
_journal_page_first              305
_journal_page_last               315
_journal_paper_doi               10.1016/S0022-1139(00)81777-7
_journal_volume                  17
_journal_year                    1981
_chemical_formula_sum            'F3 N Na O4 Sb'
_space_group_IT_number           61
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   18.18
_cell_length_b                   11.505
_cell_length_c                   5.660
_cell_formula_units_Z            8
_cell_volume                     1183.851
_database_code_amcsd             0016062
_exptl_crystal_density_diffrn    3.139
_cod_duplicate_entry             1008120
_cod_original_formula_sum        'Sb Na F3 O4 N'
_cod_database_code               9015093
_amcsd_formula_title             'F3 H2 N Na O4 Sb'
loop_
_space_group_symop_operation_xyz
x,y,z
x,1/2-y,1/2+z
-x,1/2+y,1/2-z
1/2-x,1/2+y,z
1/2+x,1/2-y,-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
Sb1 0.36646 0.60123 0.16200
Na1 0.48410 0.14330 0.81830
F1 0.44600 0.69310 0.02800
F2 0.40740 0.46990 0.99800
F3 0.43870 0.55190 0.40200
O1 0.08860 0.69990 0.14500
O2 0.22660 0.56980 0.86000
O3 0.32840 0.64840 0.75700
O4 0.23210 0.68530 0.55800
N1 0.26140 0.63370 0.72300
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0016062
