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#$Date: 2016-02-13 20:28:24 +0100 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/53/67/1536799.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_1536799
loop_
_publ_author_name
'Rae-Smith, A.R.'
'Cheetham, A.K.'
'Fuess, H.'
_publ_section_title
;
 Preparation and crystal structure of La3 Re O8
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              46
_journal_page_last               50
_journal_volume                  510
_journal_year                    1984
_chemical_formula_sum            'La3 O8 Re'
_chemical_name_systematic        'La3 Re O8'
_space_group_IT_number           11
_symmetry_space_group_name_Hall  '-P 2c'
_symmetry_space_group_name_H-M   'P 1 1 21/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                111.1
_cell_formula_units_Z            2
_cell_length_a                   7.757
_cell_length_b                   7.777
_cell_length_c                   5.928
_cell_volume                     333.637
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Rae-Smith_ZAACAB_1984_609.cif
_cod_data_source_block           La3O8Re1
_cod_original_cell_volume        333.6369
_cod_original_sg_symbol_Hall     '-P 2yb (z,x,y)'
_cod_original_formula_sum        'La3 O8 Re1'
_cod_database_code               1536799
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z+1/2
-x,-y,-z
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
O4 O-2 0.648 0.344 0.25 1 0.0
O6 O-2 0.0312 0.1172 0.25 1 0.0
O3 O-2 0.6009 0.9891 0.25 1 0.0
Re1 Re+7 0.1814 0.8187 0.75 1 0.0
La3 La+3 0.1073 0.3384 0.75 1 0.0
O5 O-2 0.0117 0.3867 0.25 1 0.0
La2 La+3 0.6018 0.3978 0.75 1 0.0
O2 O-2 0.1912 0.806 0.0672 1 0.0
La1 La+3 0.339 0.1071 0.25 1 0.0
O1 O-2 0.3381 0.3384 0.0044 1 0.0
