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#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/2/10/62/2106298.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_2106298
loop_
_publ_author_name
'Ducourant, M.B.'
'Mascherpa, G.'
'Bonnet, B.'
'Fourcade, R.'
_publ_section_title
;
 Structure cristalline de Na Sb Br F3 (H2 O)
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              3693
_journal_page_last               3696
_journal_volume                  33
_journal_year                    1977
_chemical_formula_sum            'Br F3 H2 Na O Sb'
_chemical_name_systematic        'Na Sb Br F3 (H2 O)'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 91.88
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.323
_cell_length_b                   11.365
_cell_length_c                   5.765
_cell_volume                     545.023
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Ducourant_ACBCAR_1977_766.cif
_cod_data_source_block           H2Br1F3Na1O1Sb1
_cod_original_cell_volume        545.0229
_cod_original_formula_sum        'H2 Br1 F3 Na1 O1 Sb1'
_cod_database_code               2106298
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
F3 F-1 0.866 0.043 0.608 1 0.0
Br1 Br-1 0.5191 0.1293 0.2119 1 0.0
F1 F-1 0.856 0.299 0.466 1 0.0
F2 F-1 0.193 0.024 0.983 1 0.0
Sb1 Sb+3 0.3023 0.9079 0.178 1 0.0
O1 O-2 0.171 0.202 0.64 1 0.0
Na1 Na+1 0.012 0.141 0.309 1 0.0
