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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/2/10/68/2106890.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_2106890
loop_
_publ_author_name
'Takagi, S.'
'Joesten, M.D.'
'Lenhert, P.G.'
_publ_section_title
;
 The structure of two crystals of rubidium lead hexanitrocuprate(II)
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              1278
_journal_page_last               1281
_journal_volume                  32
_journal_year                    1976
_chemical_formula_sum            'Cu N6 O12 Pb Rb2'
_chemical_name_systematic        'Rb2 Pb (Cu (N O2)6)'
_space_group_IT_number           69
_symmetry_space_group_name_Hall  '-F 2 2'
_symmetry_space_group_name_H-M   'F m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.8296
_cell_length_b                   10.8196
_cell_length_c                   10.6113
_cell_volume                     1243.347
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Takagi_ACBCAR_1976_262.cif
_cod_data_source_block           Cu1N6O12Pb1Rb2
_cod_original_formula_sum        'Cu1 N6 O12 Pb1 Rb2'
_cod_database_code               2106890
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z
x,-y,-z
-x,y,-z
-x,-y,-z
x,y,-z
-x,y,z
x,-y,z
x,y+1/2,z+1/2
-x,-y+1/2,z+1/2
x,-y+1/2,-z+1/2
-x,y+1/2,-z+1/2
-x,-y+1/2,-z+1/2
x,y+1/2,-z+1/2
-x,y+1/2,z+1/2
x,-y+1/2,z+1/2
x+1/2,y,z+1/2
-x+1/2,-y,z+1/2
x+1/2,-y,-z+1/2
-x+1/2,y,-z+1/2
-x+1/2,-y,-z+1/2
x+1/2,y,-z+1/2
-x+1/2,y,z+1/2
x+1/2,-y,z+1/2
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
-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
N2 N+3 0 0.20114 0 1 0.0
Cu1 Cu+2 0 0 0 1 0.0
O3 O-2 0.26217 0 0.09929 1 0.0
Pb1 Pb+2 0 0 0.5 1 0.0
O2 O-2 0.09747 0.26136 0 1 0.0
Rb1 Rb+1 0.25 0.25 0.25 1 0.0
O1 O-2 0 0.09809 0.25504 1 0.0
N1 N+3 0 0 0.1944 1 0.0
N3 N+3 0.19998 0 0 1 0.0
