#------------------------------------------------------------------------------
#$Date: 2024-05-23 12:45:01 +0300 (Thu, 23 May 2024) $
#$Revision: 292002 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/52/9015252.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_9015252
loop_
_publ_author_name
'Andress, K.'
'Gundermann, J.'
_publ_section_title
;
 Die Struktur von Magnesiumchlorid- und Magnesiumbromidhexahydrat.
 _cod_database_code 1010257
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              345
_journal_page_last               369
_journal_volume                  87
_journal_year                    1934
_chemical_formula_sum            'Br2 Mg O6'
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 93.50
_cell_angle_gamma                90
_cell_length_a                   10.25
_cell_length_b                   7.40
_cell_length_c                   6.30
_cell_formula_units_Z            2
_cell_volume                     476.964
_database_code_amcsd             0017184
_exptl_crystal_density_diffrn    1.950
_cod_duplicate_entry             1010257
_cod_original_formula_sum        'Mg Br2 O6'
_cod_database_code               9015252
_amcsd_formula_title             'Br2 H12 Mg O6'
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2+y,z
x,-y,z
1/2+x,1/2-y,z
-x,y,-z
1/2-x,1/2+y,-z
-x,-y,-z
1/2-x,1/2-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_attached_hydrogens
Mg1 0.00000 0.00000 0.00000 0
Br1 0.32000 0.00000 0.61500 0
O1 0.20000 0.00000 0.11500 2
O2 0.96000 0.20500 0.23000 2
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0017184