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#$Date: 2024-05-29 17:00:33 +0300 (Wed, 29 May 2024) $
#$Revision: 292100 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/59/9015943.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_9015943
loop_
_publ_author_name
'Leclaire, A.'
_publ_section_title
;
 Structure de l'hexabromure de magnesium et de dimanganese dodecahydrate
 Mg Mn2 Br6 (H2 O)12
 _cod_database_code 1001330
;
_journal_name_full               'Acta Crystallographica, Section C'
_journal_page_first              169
_journal_page_last               170
_journal_paper_doi               10.1107/S0108270185003195
_journal_volume                  41
_journal_year                    1985
_chemical_formula_sum            'Br6 Mg Mn2 O12'
_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                 110.966
_cell_angle_gamma                90
_cell_length_a                   13.477
_cell_length_b                   10.031
_cell_length_c                   8.428
_cell_formula_units_Z            2
_cell_volume                     1063.929
_database_code_amcsd             0010004
_exptl_crystal_density_diffrn    2.515
_cod_duplicate_entry             1001330
_cod_original_formula_sum        'Br6 Mn2 Mg O12'
_cod_database_code               9015943
_amcsd_formula_title             'Br6 H24 Mg Mn2 O12'
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
Br1 0.15785 0.19363 0.14840 0
Br2 0.35154 0.00000 0.53570 0
Mn1 0.29879 0.00000 0.20110 0
Mg1 0.00000 0.00000 0.50000 0
O1 0.42240 0.15340 0.23050 2
O2 0.26920 0.00000 -0.07520 2
O3 0.11280 0.14390 0.53080 2
O4 0.03100 0.00000 0.75640 2
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0010004
