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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/1/53/10/1531097.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_1531097
loop_
_publ_author_name
'Avdeev, M.'
'Kharton, V.'
_publ_section_title
;
 Crystal structure of rhombohedral M Cd (N O2)3 (M = K, Rb, Cs, Tl) from
 X-ray powder diffraction data
;
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              735
_journal_page_last               743
_journal_volume                  37
_journal_year                    2002
_chemical_formula_sum            'Cd N3 O6 Rb'
_chemical_name_systematic        'Rb Cd (N O2)3'
_space_group_IT_number           146
_symmetry_space_group_name_Hall  'R 3'
_symmetry_space_group_name_H-M   'R 3 :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   7.629
_cell_length_b                   7.629
_cell_length_c                   9.2355
_cell_volume                     465.507
_citation_journal_id_ASTM        MRBUAC
_cod_data_source_file            Avdeev_MRBUAC_2002_789.cif
_cod_data_source_block           Cd1N3O6Rb1
_cod_original_cell_volume        465.5071
_cod_original_formula_sum        'Cd1 N3 O6 Rb1'
_cod_database_code               1531097
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,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
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
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
Cd1 Cd+2 0.6667 0.3333 0.3456 1 0.0
N1 N+3 0.5066 0.0595 0.5228 1 0.0
O2 O-2 0.3402 -0.0927 0.4965 1 0.0
O1 O-2 0.6066 0.0489 0.6259 1 0.0
Rb1 Rb+1 0.6667 0.3333 0.8809 1 0.0
