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#$Date: 2015-07-07 16:27:30 +0300 (Tue, 07 Jul 2015) $
#$Revision: 140921 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/12/1521238.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_1521238
loop_
_publ_author_name
'Jeitschko, W.'
'Rodewald, U.C.'
'Heumannskaemper, D.H.'
'Schriewer-Poettgen, M.S.'
_publ_section_title
;
 Preparation, crystal structures, and properties of rhenates with multiple
 Re - Re bonds: Ln2 Re O5 (Ln = Sm, Eu, Gd), Ln3 Re2 O9 (Ln= Pr, Nd, Sm),
 and Ln4 Re6 O19 (Ln = La - Nd)
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              218
_journal_page_last               228
_journal_volume                  147
_journal_year                    1999
_chemical_formula_sum            'O9 Re2 Sm3'
_chemical_name_systematic        'Sm3 (Re2 O9)'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                76.57
_cell_angle_beta                 75.56
_cell_angle_gamma                68.66
_cell_formula_units_Z            2
_cell_length_a                   5.518
_cell_length_b                   6.788
_cell_length_c                   10.867
_cell_volume                     362.605
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Jeitschko_JSSCBI_1999_296.cif
_cod_data_source_block           O9Re2Sm3
_cod_original_cell_volume        362.6054
_cod_database_code               1521238
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,-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
O9 O-2 0.8673 0.1881 0.0608 1 0.0
O7 O-2 0.5951 0.1904 0.4054 1 0.0
O4 O-2 0.2875 0.4212 0.5811 1 0.0
Re1 Re+5 0.34576 0.12607 0.56895 1 0.0
Re2 Re+4 0.51563 0.38486 0.09296 1 0.0
Sm3 Sm+3 0.29607 0.60352 0.37151 1 0.0
Sm2 Sm+3 0.22402 0.16144 0.8832 1 0.0
O2 O-2 0.0759 0.2111 0.4738 1 0.0
O8 O-2 0.6523 0.5241 0.1823 1 0.0
O1 O-2 0.0587 0.1144 0.7203 1 0.0
O6 O-2 0.5851 0.0714 0.6894 1 0.0
O3 O-2 0.1808 0.4993 0.1973 1 0.0
O5 O-2 0.3886 0.1721 0.0702 1 0.0
Sm1 Sm+3 0.01037 0.21233 0.26936 1 0.0
