#------------------------------------------------------------------------------
#$Date: 2024-05-23 11:45:01 +0200 (Thu 23 de May de 2024) $
#$Revision: 292002 $
#$URL: svn://www.crystallography.net/cod/cif/9/01/55/9015521.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_9015521
loop_
_publ_author_name
'Yue, S.'
'Beevers, C.'
_publ_section_title
;
 The crystal structure of zinc bromate hexahydrate Zn (Br O3)2 (H2O)6
 _cod_database_code 1010024
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              426
_journal_page_last               434
_journal_volume                  95
_journal_year                    1936
_chemical_formula_sum            'Br2 O12 Zn'
_space_group_IT_number           205
_symmetry_space_group_name_Hall  '-P 2ac 2ab 3'
_symmetry_space_group_name_H-M   'P a -3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   10.316
_cell_length_b                   10.316
_cell_length_c                   10.316
_cell_formula_units_Z            4
_cell_volume                     1097.827
_database_code_amcsd             0016963
_exptl_crystal_density_diffrn    2.524
_cod_duplicate_entry             1010024
_cod_original_sg_symbol_H-M      'P a 3'
_cod_original_formula_sum        'Zn Br2 O12'
_cod_database_code               9015521
_amcsd_formula_title             'Br2 H12 O12 Zn'
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+z,x,1/2-y
z,1/2-x,1/2+y
1/2-z,1/2+x,y
-z,-x,-y
1/2+y,1/2-z,-x
1/2-y,-z,1/2+x
-y,1/2+z,1/2-x
y,z,x
x,1/2-y,1/2+z
1/2-x,1/2+y,z
1/2+x,y,1/2-z
-x,-y,-z
1/2-z,-x,1/2+y
-z,1/2+x,1/2-y
1/2+z,1/2-x,-y
z,x,y
1/2-y,1/2+z,x
1/2+y,z,1/2-x
y,1/2-z,1/2+x
-y,-z,-x
-x,1/2+y,1/2-z
1/2+x,1/2-y,-z
1/2-x,-y,1/2+z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_attached_hydrogens
Zn1 0.00000 0.00000 0.00000 0
Br1 0.25900 0.25900 0.25900 0
O1 0.19500 0.05000 0.96500 2
O2 0.19000 0.14500 0.33000 0
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0016963
