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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/1/53/67/1536740.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_1536740
loop_
_publ_author_name
'Klevtsova, R.F.'
'Glinskaya, L.A.'
'Ishchenko, V.N.'
'Klevtsov, P.V.'
'Perepelitsa, A.P.'
_publ_section_title
;
 Double molybdates and tungstates of the composition Na3 M(+) (E O4)2 *
 9(H2 O) (M= K, Rb; E= Mo, W): synthesis, structure, dehydratation.
;
_journal_name_full               Kristallografiya
_journal_page_first              1094
_journal_page_last               1098
_journal_volume                  35
_journal_year                    1990
_chemical_formula_sum            'H18 Mo2 Na3 O17 Rb'
_chemical_name_systematic        'Na3 Rb (Mo O4)2 (H2 O)9'
_space_group_IT_number           176
_symmetry_space_group_name_Hall  '-P 6c'
_symmetry_space_group_name_H-M   'P 63/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   9.648
_cell_length_b                   9.648
_cell_length_c                   12.157
_cell_volume                     980.013
_citation_journal_id_ASTM        KRISAJ
_cod_data_source_file            Klevtsova_KRISAJ_1990_1027.cif
_cod_data_source_block           H18Mo2Na3O17Rb1
_cod_original_cell_volume        980.0125
_cod_original_formula_sum        'H18 Mo2 Na3 O17 Rb1'
_cod_database_code               1536740
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x-y,x,z+1/2
-y,x-y,z
-x,-y,z+1/2
-x+y,-x,z
y,-x+y,z+1/2
-x,-y,-z
-x+y,-x,-z-1/2
y,-x+y,-z
x,y,-z-1/2
x-y,x,-z
-y,x-y,-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
Rb1 Rb+1 0 0 0.25 1 0.0
O4 O-2 0.2684 0.0265 0.3865 1 0.0
O1 O-2 0.3333 0.6667 0.6205 1 0.0
O2 O-2 0.2867 0.4753 0.4292 1 0.0
Mo1 Mo+6 0.3333 0.6667 0.4761 1 0.0
Na1 Na+1 0.2894 0.4567 0.75 1 0.0
H2 H+1 0.337 0.081 0.448 1 0.0
O3 O-2 0.0213 0.4145 0.75 1 0.0
H1 H+1 -0.049 0.371 0.691 1 0.0
H3 H+1 0.242 -0.079 0.401 1 0.0
