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#$Date: 2016-02-13 20:28:24 +0100 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/53/15/1531560.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_1531560
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            'F5 Hf Rb'
_chemical_name_systematic        'Rb Hf F5'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 120.52
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.766
_cell_length_b                   7.8963
_cell_length_c                   7.898
_cell_volume                     417.224
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Koller_ZAACAB_2002_1036.cif
_cod_data_source_block           F5Hf1Rb1
_cod_original_cell_volume        417.2239
_cod_original_formula_sum        'F5 Hf1 Rb1'
_cod_database_code               1531560
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z+1/2
-x,-y,-z
x,-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
F5 F-1 0.6744 0.0001 0.0876 1 0.0
F3 F-1 0.4977 0.293 -0.0641 1 0.0
F4 F-1 0.4996 -0.0641 0.2911 1 0.0
F2 F-1 0.7868 0.2109 0.3577 1 0.0
F1 F-1 0.2123 0.2095 0.0703 1 0.0
Hf1 Hf+4 0.5 0.1621 0.1628 1 0.0
Rb1 Rb+1 0.0872 0 0.2937 1 0.0
