#------------------------------------------------------------------------------
#$Date: 2016-12-12 03:31:08 +0100 (lun 12 de dic de 2016) $
#$Revision: 189063 $
#$URL: svn://www.crystallography.net/cod/cif/2/31/08/2310859.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# 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_2310859
loop_
_publ_author_name
'Hanic, F.'
_publ_section_title
;
 Die Kristallstruktur von alpha-Cu (N H3)2 Br2
;
_journal_name_full               'Acta Crystallographica (1,1948-23,1967)'
_journal_page_first              739
_journal_page_last               744
_journal_volume                  12
_journal_year                    1959
_chemical_formula_sum            'Br2 Cu H6 N2'
_chemical_name_systematic        '(Cu (N H3)2) Br2'
_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                 94.8
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   8.18
_cell_length_b                   8.15
_cell_length_c                   4.054
_cell_volume                     269.320
_citation_journal_id_ASTM        ACCRA9
_cod_data_source_file            Hanic_ACCRA9_1959_1375.cif
_cod_data_source_block           H6Br2Cu1N2
_cod_original_cell_volume        269.3201
_cod_original_formula_sum        'H6 Br2 Cu1 N2'
_cod_database_code               2310859
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z
-x,-y,-z
x,-y,z
x+1/2,y+1/2,z
-x+1/2,y+1/2,-z
-x+1/2,-y+1/2,-z
x+1/2,-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
Cu1 Cu+2 0 0 0 1 0.0 0
N1 N-3 0 0.237 0 1 0.0 3
Br1 Br-1 0.237 0 0.448 1 0.0 0
