#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/11/1531148.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_1531148
loop_
_publ_author_name
'Chi Lisheng'
'Green, A.E.C.'
'Wiebe, C.R.'
'Hammond, R.'
'Greedan, J.E.'
_publ_section_title
;
 Synthesis, structure and magnetic properties of the pillared perovskites
 La5 Re3 M O16 (M = Mg, Fe, Co, Ni)
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              165
_journal_page_last               175
_journal_volume                  170
_journal_year                    2003
_chemical_formula_sum            'La5 Mg O16 Re3'
_chemical_name_systematic        'La5 Mg Re3 O16'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1 (1/2*x+1/2*y,1/2*x-1/2*y,-z)'
_symmetry_space_group_name_H-M   'C -1'
_cell_angle_alpha                90.196
_cell_angle_beta                 94.878
_cell_angle_gamma                89.966
_cell_formula_units_Z            2
_cell_length_a                   7.9359
_cell_length_b                   7.9963
_cell_length_c                   10.1683
_cell_volume                     642.917
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            ChiLisheng_JSSCBI_2003_1460.cif
_cod_data_source_block           La5Mg1O16Re3
_cod_original_cell_volume        642.9174
_cod_original_sg_symbol_H-M      'P -1 (a+b,a-b,-c)'
_cod_original_formula_sum        'La5 Mg1 O16 Re3'
_cod_database_code               1531148
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,-z
x+1/2,y+1/2,z
-x+1/2,-y+1/2,-z
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 0.1925 0.506 0.5653 1 0.0
O8 O-2 0.237 0.0404 -0.0346 1 0.0
O7 O-2 -0.048 0.247 -0.001 1 0.0
O3 O-2 -0.0393 0.502 0.1977 1 0.0
La1 La+3 0.228 0.746 0.8027 1 0.0
La3 La+3 0.5 0.5 0.5 1 0.0
La2 La+3 0.23 0.263 0.798 1 0.0
O4 O-2 0.072 0.006 0.1845 1 0.0
Re2 Re+5 0 0 0 1 0.0
O6 O-2 0.039 0.264 0.369 1 0.0
O2 O-2 0.2793 0.499 0.323 1 0.0
O5 O-2 0.037 0.734 0.365 1 0.0
Mg1 Mg+2 0 0.5 0 1 0.0
Re1 Re+5 0.0566 0.499 0.3936 1 0.0
