data_1010024
_chemical_name_systematic          'Zinc bromate hexahydrate'
_chemical_formula_structural       'Zn (Br O3)2 (H2 O)6'
_chemical_formula_sum              'H12 Br2 O12 Zn'
_publ_section_title
;
The crystal structure of zinc bromate hexahydrate Zn (Br O~3~)~2~ (H~2~
O)~6~
;
loop_
_publ_author_name
  'Yue, S H'
  'Beevers, C A'
_journal_name_full
;
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik,
Kristallchemie (-144,1977)
;
_journal_coden_ASTM                ZEKGAX
_journal_volume                    95
_journal_year                      1936
_journal_page_first                426
_journal_page_last                 434
_cell_length_a                     10.316(1)
_cell_length_b                     10.316
_cell_length_c                     10.316
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       1097.8
_cell_formula_units_Z              4
_exptl_crystal_density_meas        2.51
_symmetry_space_group_name_H-M     'P a -3'
_symmetry_Int_Tables_number        205
_symmetry_cell_setting             cubic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '1/2+x,1/2-y,-z'
  '-x,1/2+y,1/2-z'
  '1/2-x,-y,1/2+z'
  'y,z,x'
  '1/2-y,-z,1/2+x'
  '1/2+y,1/2-z,-x'
  '-y,1/2+z,1/2-x'
  'z,x,y'
  '-z,1/2+x,1/2-y'
  '1/2-z,-x,1/2+y'
  '1/2+z,1/2-x,-y'
  '-x,-y,-z'
  '1/2-x,1/2+y,z'
  'x,1/2-y,1/2+z'
  '1/2+x,y,1/2-z'
  '-y,-z,-x'
  '1/2+y,z,1/2-x'
  '1/2-y,1/2+z,x'
  'y,1/2-z,1/2+x'
  '-z,-x,-y'
  'z,1/2-x,1/2+y'
  '1/2+z,x,1/2-y'
  '1/2-z,1/2+x,y'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Zn2+   2.000
  Br5+   5.000
  O2-   -2.000
  H1+    1.000
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
  Zn1   Zn2+   4 a 0. 0. 0. 1.  0 d
  Br1   Br5+   8 c 0.259(3) 0.259 0.259 1.  0 d
  O1    O2-   24 d 0.195(5) 0.050(5) 0.965(5) 1.  2 d
  O2    O2-   24 d 0.190(5) 0.145(5) 0.330(5) 1.  0 d
  H1    H1+   24 d -1. -1. -1. 2.  0 dum