#------------------------------------------------------------------------------
#$Date: 2023-10-03 05:58:46 +0300 (Tue, 03 Oct 2023) $
#$Revision: 286635 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/56/89/1568981.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_1568981
loop_
_publ_author_name
'Fukuda, M.'
'Yamaura, K.'
_publ_section_title
;
 Experimental studies on crystal structures and phase transitions in
 perovskite-type RbNbO3 : At 300 K
;
_journal_name_full               'Journal of the Ceramic Society of Japan'
_journal_page_first              126
_journal_page_last               129
_journal_paper_doi               10.2109/jcersj2.23012
_journal_volume                  131
_journal_year                    2023
_chemical_formula_sum            'Nb O3 Rb'
_chemical_name_common            'RbNbO3 orthorhombic perovskite'
_space_group_IT_number           38
_space_group_name_Hall           'A 2 -2'
_space_group_name_H-M_alt        'A m m 2'
_cell_angle_alpha                90.000000
_cell_angle_beta                 90.000000
_cell_angle_gamma                90.000000
_cell_formula_units_Z            2
_cell_length_a                   3.99152(2)
_cell_length_b                   5.82230(3)
_cell_length_c                   5.86394(3)
_cell_volume                     136.2770(12)
_diffrn_ambient_pressure         100
_diffrn_ambient_temperature      300
_cod_data_source_file            RbNbO3-Amm2.cif
_cod_data_source_block           RbNbO3-ortho-pv
_cod_depositor_comments
;Journal name had a type (Ceramic instead of Ceramics), and is
 corrected.
;
_cod_original_cell_volume        136.276942
_cod_original_formula_sum        'Rb Nb O3'
_cod_database_code               1568981
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -x,-y,z
3 x,-y,z
4 -x,y,z
5 x,y+1/2,z+1/2
6 -x,-y+1/2,z+1/2
7 x,-y+1/2,z+1/2
8 -x,y+1/2,z+1/2
loop_
_atom_site_label
_atom_site_occupancy
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_adp_type
_atom_site_U_iso_or_equiv
_atom_site_type_symbol
Rb1 1.0 0.000000 0.000000 0.000000 Uiso 0.0068(7) Rb
Nb1 1.0 0.500000 0.000000 0.5206(4) Uiso 0.0021(5) Nb
O1 1.0 0.000000 0.000000 0.4644(17) Uiso 0.0048(14) O
O2 1.0 0.500000 0.2637(18) 0.2269(15) Uiso 0.0048 O
