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#$Date: 2015-09-05 14:33:55 +0300 (Sat, 05 Sep 2015) $
#$Revision: 154434 $
#$URL: svn://www.crystallography.net/cod/cif/4/03/14/4031430.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_4031430
loop_
_publ_author_name
'Dewan, J.C.'
'Jones, G.R.'
'Edwards, A.J.'
_publ_section_title
;
 Crystal structures of octacesium and octarubidium docosaniobates
;
_journal_name_full
;
Journal of the Chemical Society. Dalton Transactions, Inorganic Chemistry 
(1972-)
;
_journal_page_first              968
_journal_page_last               972
_journal_volume                  1978
_journal_year                    1978
_chemical_formula_sum            'Nb11 O30 Rb4'
_chemical_name_systematic        'Rb4 Nb11 O30'
_space_group_IT_number           166
_symmetry_space_group_name_Hall  '-R 3 2"'
_symmetry_space_group_name_H-M   'R -3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   7.53
_cell_length_b                   7.53
_cell_length_c                   43.39
_cell_volume                     2130.641
_citation_journal_id_ASTM        JCDTBI
_cod_data_source_file            Dewan_JCDTBI_1978_330.cif
_cod_data_source_block           Nb11O30Rb4
_cod_database_code               4031430
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
y,x,-z
-x,-x+y,-z
x-y,-y,-z
-x,-y,-z
y,-x+y,-z
x-y,x,-z
-y,-x,z
x,x-y,z
-x+y,y,z
x+2/3,y+1/3,z+1/3
-y+2/3,x-y+1/3,z+1/3
-x+y+2/3,-x+1/3,z+1/3
y+2/3,x+1/3,-z+1/3
-x+2/3,-x+y+1/3,-z+1/3
x-y+2/3,-y+1/3,-z+1/3
-x+2/3,-y+1/3,-z+1/3
y+2/3,-x+y+1/3,-z+1/3
x-y+2/3,x+1/3,-z+1/3
-y+2/3,-x+1/3,z+1/3
x+2/3,x-y+1/3,z+1/3
-x+y+2/3,y+1/3,z+1/3
x+1/3,y+2/3,z+2/3
-y+1/3,x-y+2/3,z+2/3
-x+y+1/3,-x+2/3,z+2/3
y+1/3,x+2/3,-z+2/3
-x+1/3,-x+y+2/3,-z+2/3
x-y+1/3,-y+2/3,-z+2/3
-x+1/3,-y+2/3,-z+2/3
y+1/3,-x+y+2/3,-z+2/3
x-y+1/3,x+2/3,-z+2/3
-y+1/3,-x+2/3,z+2/3
x+1/3,x-y+2/3,z+2/3
-x+y+1/3,y+2/3,z+2/3
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
O2 O-2 0.2482 0.1241 0.1228 1 0.0
Nb2 Nb+5 0 0 0.09956 1 0.0
O1 O-2 0.1242 0.2484 0.0698 1 0.0
Nb1 Nb+5 0.1677 0.3354 0.0288 1 0.0
O3 O-2 0.2824 0.1412 0.0191 1 0.0
Nb3 Nb+5 0.33333 0.16667 0.16667 1 0.0
Rb1 Rb+1 0.6667 0.3333 0.0664 1 0.0
O4 O-2 0.448 0.896 0.0316 1 0.0
O5 O-2 0.1252 0.2504 0.1752 1 0.0
Rb2 Rb+1 0.3333 0.6667 0.1187 1 0.0
