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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/1/53/15/1531566.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_1531566
loop_
_publ_author_name
'Koller, D.'
'Mueller, B.G.'
_publ_section_title
;
 Synthese und Struktur von Rb Hf F5, Rb2 Zr3 F12 O und Rb2 Hf3 F12 O- zwei
 Oxidfluoride mit zentraler trigonal-planarer (M3 O)-Gruppe
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              575
_journal_page_last               579
_journal_volume                  628
_journal_year                    2002
_chemical_formula_sum            'F12 O Rb2 Zr3'
_chemical_name_systematic        'Rb2 (O F3 (Zr F3)3)'
_space_group_IT_number           166
_symmetry_space_group_name_Hall  '-R 3 2"'
_symmetry_space_group_name_H-M   'R -3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   7.719
_cell_length_b                   7.719
_cell_length_c                   29.63
_cell_volume                     1528.919
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Koller_ZAACAB_2002_1038.cif
_cod_data_source_block           F12O1Rb2Zr3
_cod_original_cell_volume        1528.918
_cod_original_formula_sum        'F12 O1 Rb2 Zr3'
_cod_database_code               1531566
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
y,x,-z
-x,-x+y,-z
x-y,-y,-z
-x,-y,-z
y,-x+y,-z
x-y,x,-z
-y,-x,z
x,x-y,z
-x+y,y,z
x+2/3,y+1/3,z+1/3
-y+2/3,x-y+1/3,z+1/3
-x+y+2/3,-x+1/3,z+1/3
y+2/3,x+1/3,-z+1/3
-x+2/3,-x+y+1/3,-z+1/3
x-y+2/3,-y+1/3,-z+1/3
-x+2/3,-y+1/3,-z+1/3
y+2/3,-x+y+1/3,-z+1/3
x-y+2/3,x+1/3,-z+1/3
-y+2/3,-x+1/3,z+1/3
x+2/3,x-y+1/3,z+1/3
-x+y+2/3,y+1/3,z+1/3
x+1/3,y+2/3,z+2/3
-y+1/3,x-y+2/3,z+2/3
-x+y+1/3,-x+2/3,z+2/3
y+1/3,x+2/3,-z+2/3
-x+1/3,-x+y+2/3,-z+2/3
x-y+1/3,-y+2/3,-z+2/3
-x+1/3,-y+2/3,-z+2/3
y+1/3,-x+y+2/3,-z+2/3
x-y+1/3,x+2/3,-z+2/3
-y+1/3,-x+2/3,z+2/3
x+1/3,x-y+2/3,z+2/3
-x+y+1/3,y+2/3,z+2/3
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
F3 F-1 0.3266 0.1633 0.0743 1 0.0
F4 F-1 0.2219 0.4438 0.0717 1 0.0
Rb2 Rb+1 0 0 0.5 1 0.0
O1 O-2 0.6667 0.3333 0.046 1 0.0
F1 F-1 0.3522 0.3522 0 1 0.0
Rb3 Rb+1 0 0 0.1376 1 0.0
Zr1 Zr+4 0.5156 0.4844 0.0603 1 0.0
F2 F-1 0.5218 0.4782 0.1265 1 0.0
Rb1 Rb+1 0 0 0 1 0.0
