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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/58/1525819.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_1525819
loop_
_publ_author_name
'Liu, J.'
'Mei, W.N.'
'Ossowski, M.M.'
'Duan, C.-G.'
'Smith, R.W.'
'Hardy, J.R.'
_publ_section_title
;
 Molecular dynamics simulation of structural phase transitions in Rb N O3
 and Cs N O3
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              222
_journal_page_last               229
_journal_volume                  160
_journal_year                    2001
_chemical_formula_sum            'N O3 Rb'
_chemical_name_systematic        'Rb (N O3)'
_space_group_IT_number           144
_symmetry_space_group_name_Hall  'P 31'
_symmetry_space_group_name_H-M   'P 31'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            9
_cell_length_a                   10.067
_cell_length_b                   10.067
_cell_length_c                   7.053
_cell_volume                     619.020
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Liu_JSSCBI_2001_1620.cif
_cod_data_source_block           N1O3Rb1
_cod_original_cell_volume        619.02
_cod_original_formula_sum        'N1 O3 Rb1'
_cod_database_code               1525819
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z+1/3
-x+y,-x,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 0.3781 0.4534 0.2118 1 0.0
O6 O-2 0.0589 0.2498 0.3818 1 0.0
N2 N+5 0.1003 0.2103 0.5232 1 0.0
O5 O-2 0.2364 0.2671 0.5613 1 0.0
O3 O-2 0.5443 0.6164 0.0229 1 0.0
N1 N+5 0.459 0.5859 0.1593 1 0.0
O1 O-2 0.4547 0.6891 0.2456 1 0.0
Rb2 Rb+1 0.122 0.2195 0.001 1 0.0
O8 O-2 0.8976 0.3047 0.0466 1 0.0
O7 O-2 0.739 0.1431 0.2427 1 0.0
O4 O-2 0.0043 0.1129 0.6284 1 0.0
Rb3 Rb+1 0.7757 0.2202 0.6327 1 0.0
N3 N+5 0.7658 0.2228 0.1017 1 0.0
Rb1 Rb+1 0.457 0.5667 0.6343 1 0.0
O9 O-2 0.6601 0.2209 0.0137 1 0.0
