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#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/7/22/29/7222978.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_7222978
loop_
_publ_author_name
'Herdtweck, E.'
'Graulich, J.'
'Babel, D.'
_publ_section_title
;
 Die Kettenstrukturen der ternaeren Eisen(III)fluoride Rb2FeF5 und
 (CH3NH3)2FeF5
;
_journal_name_full
;
Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische 
Chemie (42,1987-)
;
_journal_page_first              161
_journal_page_last               169
_journal_volume                  45
_journal_year                    1990
_chemical_formula_sum            'F5 Fe Rb2'
_chemical_name_systematic        'Rb2 Fe F5'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.565
_cell_length_b                   5.81
_cell_length_c                   12.002
_cell_volume                     527.520
_citation_journal_id_ASTM        ZNBSEN
_cod_data_source_file            Herdtweck_ZNBSEN_1990_1999.cif
_cod_data_source_block           F5Fe1Rb2
_cod_original_cell_volume        527.5197
_cod_original_formula_sum        'F5 Fe1 Rb2'
_cod_database_code               7222978
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x+1/2,-y+1/2,-z+1/2
-x,y+1/2,-z
-x,-y,-z
x-1/2,y,-z-1/2
-x-1/2,y-1/2,z-1/2
x,-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
F2 F-1 0.5135 0.25 0.3106 1 0.0
F1 F-1 0 0 0 1 0.0
Fe1 Fe+3 0.6614 0.25 0.4368 1 0.0
Rb1 Rb+1 0.1529 0.25 0.4143 1 0.0
Rb2 Rb+1 0.4881 0.25 0.7268 1 0.0
F3 F-1 0.7775 0.25 0.579 1 0.0
F4 F-1 0.8074 0.0126 0.3827 1 0.0
