#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/89/1538996.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_1538996
loop_
_publ_author_name
'Pertlik, F.'
_publ_section_title
;
 The compounds K As4 O6 X (X= Cl, Br, I) and N H4 As4 O6 X (X= Br, I):
 Hydrothermal syntheses and structure determinations
;
_journal_name_full
;
Monatshefte fuer Chemie und verwandte Teile anderer Wissenschaften (109,1978-)
;
_journal_page_first              451
_journal_page_last               456
_journal_volume                  119
_journal_year                    1988
_chemical_formula_sum            'As4 Br H4 N O6'
_chemical_name_systematic        '(N H4) Br As4 O6'
_space_group_IT_number           191
_symmetry_space_group_name_Hall  '-P 6 2'
_symmetry_space_group_name_H-M   'P 6/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   5.265
_cell_length_b                   5.265
_cell_length_c                   9.148
_cell_volume                     219.611
_citation_journal_id_ASTM        MOCMB7
_cod_data_source_file            Pertlik_MOCMB7_1988_1931.cif
_cod_data_source_block           H4As4Br1N1O6
_cod_original_cell_volume        219.6107
_cod_original_formula_sum        'H4 As4 Br1 N1 O6'
_cod_database_code               1538996
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x-y,x,z
-y,x-y,z
-x,-y,z
-x+y,-x,z
y,-x+y,z
-y,-x,-z
x-y,-y,-z
x,x-y,-z
y,x,-z
-x+y,y,-z
-x,-x+y,-z
-x,-y,-z
-x+y,-x,-z
y,-x+y,-z
x,y,-z
x-y,x,-z
-y,x-y,-z
y,x,z
-x+y,y,z
-x,-x+y,z
-y,-x,z
x-y,-y,z
x,x-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
O1 O-2 0.5 0 0.3092 1 0.0
Br1 Br-1 0 0 0 1 0.0
N1 N-3 0 0 0.5 1 0.0
As1 As+3 0.3333 0.6667 0.20346 1 0.0
