#------------------------------------------------------------------------------
#$Date: 2024-05-23 11:45:01 +0200 (Thu 23 de May de 2024) $
#$Revision: 292002 $
#$URL: svn://www.crystallography.net/cod/cif/9/01/49/9014948.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_9014948
loop_
_publ_author_name
'Silberstein, A.'
_publ_section_title
;
 Srtucture du bromure double de cuivre et d'ammonium.
 _cod_database_code 1010321
;
_journal_name_full
'Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences'
_journal_page_first              1196
_journal_page_last               1197
_journal_volume                  202
_journal_year                    1936
_chemical_formula_sum            'Br4 Cu N2 O2'
_space_group_IT_number           136
_symmetry_space_group_name_Hall  '-P 4n 2n'
_symmetry_space_group_name_H-M   'P 42/m n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   7.98
_cell_length_b                   7.98
_cell_length_c                   8.41
_cell_formula_units_Z            2
_cell_volume                     535.552
_database_code_amcsd             0017247
_exptl_crystal_density_diffrn    2.748
_cod_duplicate_entry             1010321
_cod_original_formula_sum        'Cu N2 Br4 O2'
_cod_database_code               9014948
_amcsd_formula_title             'Br4 Cu H12 N2 O2'
loop_
_space_group_symop_operation_xyz
x,y,z
-y,-x,z
y,x,-z
1/2+y,1/2-x,1/2-z
1/2-y,1/2+x,1/2+z
1/2+x,1/2-y,1/2+z
1/2-x,1/2+y,1/2-z
x,y,-z
-x,-y,z
y,x,z
-y,-x,-z
1/2-y,1/2+x,1/2-z
1/2+y,1/2-x,1/2+z
1/2-x,1/2+y,1/2+z
1/2+x,1/2-y,1/2-z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_attached_hydrogens
Cu1 0.00000 0.00000 0.00000 0
N1 0.00000 0.50000 0.25000 4
Br1 0.21800 0.21800 0.00000 0
Br2 0.22200 -0.22200 0.00000 0
O1 0.00000 0.00000 0.25000 2
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0017247
