#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/53/96/1539671.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1539671
loop_
_publ_author_name
'Carl, W.'
'Hoppe, R.'
_publ_section_title
;
 Oxocuprate(I) mit C O2 - analogem Anion: Rb3 (Cu O2)
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              79
_journal_page_last               88
_journal_volume                  574
_journal_year                    1989
_chemical_formula_sum            'Cu O2 Rb3'
_chemical_name_systematic        'Rb3 (Cu O2)'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 110.2
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.319
_cell_length_b                   9.658
_cell_length_c                   6.759
_cell_volume                     570.913
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Carl_ZAACAB_1989_380.cif
_cod_data_source_block           Cu1O2Rb3
_cod_original_cell_volume        570.9131
_cod_original_sg_symbol_Hall     '-P 2ybc (x-z,y,z)'
_cod_original_formula_sum        'Cu1 O2 Rb3'
_cod_database_code               1539671
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,y+1/2,-z+1/2
-x,-y,-z
x-1/2,-y-1/2,z-1/2
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
Rb3 Rb+1 0.9953 0.4664 0.2414 1 0.0
O2 O-2 0.1235 0.3 0.6283 1 0.0
Cu1 Cu+1 0.673 0.3209 0.964 1 0.0
Rb2 Rb+1 0.8748 0.0221 0.1387 1 0.0
O1 O-2 0.778 0.9382 0.7042 1 0.0
Rb1 Rb+1 0.3125 0.2921 0.0726 1 0.0
