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#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/45/1534589.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_1534589
loop_
_publ_author_name
'Aneas, M.'
'Besse, J.P.'
'Picard, J.P.'
'Baud, G.'
'Chevalier, R.'
_publ_section_title
;
 Mise en evidence de l'ion N O3(-) dans l'apatite au rhenium Ba5 (Re O5)3
 N O3
;
_journal_name_full               'Materials Chemistry and Physics'
_journal_page_first              119
_journal_page_last               123
_journal_volume                  8
_journal_year                    1983
_chemical_formula_sum            'Ba5 N O18 Re3'
_chemical_name_systematic        'Ba5 (Re O5)3 N O3'
_space_group_IT_number           185
_symmetry_space_group_name_Hall  'P 6c -2'
_symmetry_space_group_name_H-M   'P 63 c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   11.054
_cell_length_b                   11.054
_cell_length_c                   7.718
_cell_volume                     816.722
_citation_journal_id_ASTM        MCHPDR
_cod_data_source_file            Aneas_MCHPDR_1983_580.cif
_cod_data_source_block           Ba5N1O18Re3
_cod_original_cell_volume        816.7221
_cod_original_formula_sum        'Ba5 N1 O18 Re3'
_cod_database_code               1534589
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x-y,x,z+1/2
-y,x-y,z
-x,-y,z+1/2
-x+y,-x,z
y,-x+y,z+1/2
y,x,z
-x+y,y,z+1/2
-x,-x+y,z
-y,-x,z+1/2
x-y,-y,z
x,x-y,z+1/2
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
O1 O-2 0.2992 0 0.1196 1 0.0
N1 N+5 0 0 0.4666 1 0.0
O2 O-2 0.5794 0.127 0.2653 1 0.0
Ba2 Ba+2 0.2726 0 0.745 1 0.0
O4 O-2 0.1151 0 0.4418 1 0.0
Ba1 Ba+2 0.6666 0.3333 0 1 0.0
Re1 Re+7 0.3933 0 0.2918 1 0.0
O3 O-2 0.3952 0.1349 0.443 1 0.0
