#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/05/1530569.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_1530569
loop_
_publ_author_name
'Pertlik, F.'
_publ_section_title
;
 The crystal structure of Na As4 O6 Br
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              225
_journal_page_last               228
_journal_volume                  70
_journal_year                    1987
_chemical_formula_sum            'As4 Br Na O6'
_chemical_name_systematic        'Na As4 O6 Br'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2n 2a'
_symmetry_space_group_name_H-M   'P m c n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.237
_cell_length_b                   8.043
_cell_length_c                   18.978
_cell_volume                     799.376
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Pertlik_JSSCBI_1987_1478.cif
_cod_data_source_block           As4Br1Na1O6
_cod_original_sg_symbol_Hall     '-P 2ac 2n (y,z,x)'
_cod_original_formula_sum        'As4 Br1 Na1 O6'
_cod_database_code               1530569
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z+1/2
-x+1/2,-y+1/2,z+1/2
x+1/2,-y,-z
-x,-y,-z
x,-y-1/2,z-1/2
x-1/2,y-1/2,-z-1/2
-x-1/2,y,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
As4 As+3 0.75 0.78978 0.83407 1 0.0
O4 O-2 0.9972 0.1949 0.9512 1 0.0
O3 O-2 0.002 0.6757 0.8778 1 0.0
Na1 Na+1 0.75 0.4016 0.5563 1 0.0
Br1 Br-1 0.75 0.49657 0.71646 1 0.0
As3 As+3 0.75 0.40912 0.17856 1 0.0
As2 As+3 0.75 0.65321 0.04713 1 0.0
O2 O-2 0.25 0.3902 0.8607 1 0.0
O1 O-2 0.75 0.9467 0.9036 1 0.0
As1 As+3 0.75 0.16475 0.88525 1 0.0
