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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/2/02/01/2020184.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_2020184
loop_
_publ_author_name
'Gallucci, J.C.'
'Gerkin, R.E.'
'Reppart, W.J.'
_publ_section_title
;
 Structure of nickel(II) perbromate hexahydrate at 169K
;
_journal_name_full               'Acta Crystallographica C (39,1983-)'
_journal_page_first              1345
_journal_page_last               1348
_journal_volume                  44
_journal_year                    1988
_chemical_formula_sum            'Br2 H12 Ni O14'
_chemical_name_systematic        'Ni (Br O4)2 (H2 O)6'
_space_group_IT_number           147
_symmetry_space_group_name_Hall  '-P 3'
_symmetry_space_group_name_H-M   'P -3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   7.817
_cell_length_b                   7.817
_cell_length_c                   5.235
_cell_volume                     277.030
_citation_journal_id_ASTM        ACSCEE
_cod_data_source_file            Gallucci_ACSCEE_1988_1659.cif
_cod_data_source_block           H12Br2Ni1O14
_cod_original_cell_volume        277.0305
_cod_original_formula_sum        'H12 Br2 Ni1 O14'
_cod_database_code               2020184
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
-x,-y,-z
y,-x+y,-z
x-y,x,-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
Ni1 Ni+2 0 0 0.5 1 0.0
H1 H+1 0.286 0.198 0.218 1 0.0
O3 O-2 0.3982 0.5146 0.2822 1 0.0
O2 O-2 0.2393 0.0872 0.2659 1 0.0
Br1 Br+7 0.3333 0.6667 0.17821 1 0.0
O1 O-2 0.3333 0.6667 0.8718 1 0.0
H2 H+1 0.328 0.086 0.314 1 0.0
