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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/1/53/34/1533403.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_1533403
loop_
_publ_author_name
'Gerasimenko, A.V.'
'Kavun, V.Ya.'
'Sergienko, V.I.'
'Popov, D.Yu.'
'Davidovich, R.L.'
'Zemnukhova, L.A.'
_publ_section_title
;
 Crystal structure and dynamics of water molecules and fluoride ions in Na
 K Sb F5 * 1.5(H2 O) and Na Rb Sb F5 * 1.5(H2 O)
;
_journal_name_full
'Zhurnal Strukturnoi Khimii (Issue-No. from 1981)'
_journal_page_first              472
_journal_page_last               481
_journal_volume                  43
_journal_year                    2002
_chemical_formula_sum            'F5 H3 Na O1.5 Rb Sb'
_chemical_name_systematic        'Na Rb (Sb F5) (H2 O)1.5'
_space_group_IT_number           11
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.355
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.1049
_cell_length_b                   17.976
_cell_length_c                   6.1024
_cell_volume                     669.675
_citation_journal_id_ASTM        ZSTKAI
_cod_data_source_file            Gerasimenko_ZSTKAI_2002_657.cif
_cod_data_source_block           H3F5Na1O1.5Rb1Sb1
_cod_original_cell_volume        669.6747
_cod_original_formula_sum        'H3 F5 Na1 O1.5 Rb1 Sb1'
_cod_database_code               1533403
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z
-x,-y,-z
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 0.5196 0.609 0.0076 1 0.0
F4 F-1 0.5123 0.6182 0.488 1 0.0
O2 O-2 0.7322 0.75 0.7488 1 0.0
O3 O-2 0.2507 0.75 0.2701 1 0.0
Sb1 Sb+3 0.75567 0.63323 0.24429 1 0.0
O1 O-2 0.1899 0.75 0.8128 1 0.0
F3 F-1 0.9922 0.609 0.4805 1 0.0
Rb1 Rb+1 0.25513 0.49999 0.25512 1 0.0
F1 F-1 0.7389 0.5231 0.262 1 0.0
Na1 Na+1 0.2459 0.6176 0.7542 1 0.0
F5 F-1 0.9842 0.6019 0.0149 1 0.0
