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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/1/52/46/1524658.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_1524658
loop_
_publ_author_name
'Kashaev, A.A.'
'Postoenko, G.E.'
'Zel'bst, E.A.'
_publ_section_title
;
 Crystal structures of Rb Nb O (S O4)2 and N H4 Nb O (S O4)2
;
_journal_name_full               Kristallografiya
_journal_page_first              1278
_journal_page_last               1280
_journal_volume                  18
_journal_year                    1973
_chemical_formula_sum            'Nb O9 Rb S2'
_chemical_name_systematic        'Rb (Nb O) (S O4)2'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2n'
_symmetry_space_group_name_H-M   'P n a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   16.95999
_cell_length_b                   8.76
_cell_length_c                   5.16
_cell_volume                     766.619
_citation_journal_id_ASTM        KRISAJ
_cod_data_source_file            Kashaev_KRISAJ_1973_769.cif
_cod_data_source_block           Nb1O9Rb1S2
_cod_original_cell_volume        766.6187
_cod_original_sg_symbol_Hall     '-P 2ac 2n (-x,z,y)'
_cod_original_formula_sum        'Nb1 O9 Rb1 S2'
_cod_database_code               1524658
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,y+1/2,-z
x+1/2,-y+1/2,-z+1/2
-x,-y,z+1/2
-x,-y,-z
x-1/2,-y-1/2,z
-x-1/2,y-1/2,z-1/2
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
O6 O-2 0.3931 0.4829 0.25 1 0.0
S2 S+6 0.4298 0.126 0.75 1 0.0
S1 S+6 0.3056 0.4793 0.25 1 0.0
O7 O-2 0.8356 0.6109 0.25 1 0.0
Nb1 Nb+5 0.31 0.0783 0.25 1 0.0
O2 O-2 0.3779 0.1684 -0.0246 1 0.0
O5 O-2 0.5088 0.7539 0.25 1 0.0
Rb1 Rb+1 0.0602 0.16 0.25 1 0.0
O4 O-2 0.044 0.4788 0.25 1 0.0
O3 O-2 0.2708 0.3282 0.25 1 0.0
O1 O-2 0.2239 0.0655 -0.0253 1 0.0
