#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/8/00/02/8000209.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_8000209
loop_
_publ_author_name
'Hong, Y.-S.'
'Kim, K.'
_publ_section_title
;
 New-type ordering behaviour in the layered perovskite compound Rb La2 Ti2
 Nb O10
;
_journal_name_full               'Chemistry Letters'
_journal_page_first              690
_journal_page_last               691
_journal_volume                  2000
_journal_year                    2000
_chemical_formula_sum            'La2 Nb O10 Rb Ti2'
_chemical_name_systematic        'Rb La2 (Ti2 Nb O10)'
_space_group_IT_number           123
_symmetry_space_group_name_Hall  '-P 4 2'
_symmetry_space_group_name_H-M   'P 4/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   3.8351
_cell_length_b                   3.8351
_cell_length_c                   15.2273
_cell_volume                     223.963
_citation_journal_id_ASTM        CMLTAG
_cod_data_source_file            Hong_CMLTAG_2000_1065.cif
_cod_data_source_block           La2Nb1O10Rb1Ti2
_cod_original_formula_sum        'La2 Nb1 O10 Rb1 Ti2'
_cod_database_code               8000209
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x,z
-x,-y,z
y,-x,z
x,-y,-z
y,x,-z
-x,y,-z
-y,-x,-z
-x,-y,-z
y,-x,-z
x,y,-z
-y,x,-z
-x,y,z
-y,-x,z
x,-y,z
y,x,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
Rb1 Rb+1 0.5 0.5 0.5 1 0.0
O1 O-2 0 0.5 0 1 0.0
O4 O-2 0 0 0.4033 1 0.0
O2 O-2 0 0 0.1236 1 0.0
Ti2 Ti+4 0 0 0.2885 0.5 0.0
Ti1 Ti+4 0 0 0 1 0.0
Nb1 Nb+5 0 0 0.2885 0.5 0.0
O3 O-2 0 0.5 0.2547 1 0.0
La1 La+3 0.5 0.5 0.1426 1 0.0
