#------------------------------------------------------------------------------
#$Date: 2016-09-18 19:34:50 +0200 (dom 18 de sep de 2016) $
#$Revision: 186638 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/84/1528458.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_1528458
loop_
_publ_author_name
'Dyke, M.'
'Sass, R.L.'
_publ_section_title
;
 The Crystal Structure of Strontium Bromide Monohydrate
;
_journal_name_full               'Journal of Physical Chemistry'
_journal_page_first              3259
_journal_page_last               3262
_journal_volume                  68
_journal_year                    1964
_chemical_formula_sum            'Br2 H2 O Sr'
_chemical_name_systematic        'Sr Br2 H2 O'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.38
_cell_length_b                   4.28
_cell_length_c                   9.19
_cell_volume                     447.612
_citation_journal_id_ASTM        JPCHAX
_cod_data_source_file            Dyke_JPCHAX_1964_401.cif
_cod_data_source_block           H2Br2O1Sr1
_cod_original_cell_volume        447.6118
_cod_original_formula_sum        'H2 Br2 O1 Sr1'
_cod_database_code               1528458
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x+1/2,-y+1/2,-z+1/2
-x,y+1/2,-z
-x,-y,-z
x-1/2,y,-z-1/2
-x-1/2,y-1/2,z-1/2
x,-y-1/2,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
_atom_site_attached_hydrogens
Sr1 Sr+2 0.3094 0.25 0.3845 1 0.0 0
Br2 Br-1 0.615 0.25 0.8456 1 0.0 0
O1 O-2 0.325 0.25 0.879 1 0.0 2
Br1 Br-1 0.1019 0.25 0.1143 1 0.0 0
