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#$Date: 2015-07-11 14:54:27 +0200 (Sat 11 de Jul de 2015) $
#$Revision: 144732 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/40/1524071.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_1524071
loop_
_publ_author_name
'Besse, J.P.'
'Chevalier, R.'
'Baud, G.'
'Zarembowitch, J.'
_publ_section_title
;
 Mise en evidence de l'ion (O2)(-) dans l'apatite au rhenium Ba5 (Re O5)3
 O2
;
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              1255
_journal_page_last               1261
_journal_volume                  15
_journal_year                    1980
_chemical_formula_sum            'Ba5 O16 Re3'
_chemical_name_systematic        'Ba5 (Re O5)3 O2'
_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                   10.912
_cell_length_b                   10.912
_cell_length_c                   7.774
_cell_volume                     801.648
_citation_journal_id_ASTM        MRBUAC
_cod_data_source_file            Besse_MRBUAC_1980_472.cif
_cod_data_source_block           Ba5O16Re3
_cod_original_cell_volume        801.6483
_cod_database_code               1524071
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
Re1 Re+7 0.3919 0 0.2936 1 0.0
O1 O-2 0.2942 0 0.1143 1 0.0
O4 O 0 0 0.673 1 0.0
O3 O-2 0.387 0.1319 0.4345 1 0.0
Ba2 Ba+2 0.2616 0 0.7398 1 0.0
O2 O-2 0.5776 0.1329 0.2633 1 0.0
Ba1 Ba+2 0.6667 0.3333 0 1 0.0
