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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/8/10/40/8104005.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_8104005
loop_
_publ_author_name
'Mujica, C.'
'Peters, E.M.'
'Peters, K.'
'von Schnering, H.G.'
_publ_section_title
;
 Crystal structure of triaquatris(perrhenato)lanthanum(III), La3 (Re O4)3
 (H2 O)3
;
_journal_name_full
;
Zeitschrift fuer Kristallographie - New Crystal Structures
;
_journal_page_first              297
_journal_page_last               298
_journal_volume                  212
_journal_year                    1997
_chemical_formula_sum            'H6 La O15 Re3'
_chemical_name_systematic        '(La (H2 O)3) (Re O4)3'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 102.76
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.593
_cell_length_b                   13.805
_cell_length_c                   12.907
_cell_volume                     1319.517
_citation_journal_id_ASTM        ZKNSFT
_cod_data_source_file            Mujica_ZKNSFT_1997_2000.cif
_cod_data_source_block           H6La1O15Re3
_cod_original_formula_sum        'H6 La1 O15 Re3'
_cod_database_code               8104005
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z+1/2
-x,-y,-z
x,-y-1/2,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
O11 O-2 0.6794 0.5602 0.4699 1 0.0
O4 O-2 0.6084 0.4283 0.1345 1 0.0
O8 O-2 0.4799 0.2092 0.2408 1 0.0
O1 O-2 0.9772 0.4102 0.1412 1 0.0
O2 O-2 0.7723 0.5398 -0.0067 1 0.0
O12 O-2 0.5432 0.3932 0.3436 1 0.0
O13 O-2 0.1864 0.3194 0.3333 1 0.0
Re1 Re+7 0.71933 0.44116 0.44106 1 0.0
O7 O-2 0.7019 0.0406 0.2702 1 0.0
O3 O-2 0.835 0.5787 0.2103 1 0.0
O5 O-2 0.8536 0.2255 0.2682 1 0.0
Re2 Re+7 0.68627 0.16036 0.30347 1 0.0
O6 O-2 0.7157 0.1713 0.4368 1 0.0
O14 O-2 0.1043 0.2244 0.1073 1 0.0
O15 O-2 0.4076 0.272 0.0234 1 0.0
Re3 Re+7 0.80022 0.48928 0.11921 1 0.0
O10 O-2 0.9119 0.4363 0.3962 1 0.0
La1 La+3 0.31722 0.36206 0.17434 1 0.0
O9 O-2 0.74 0.3724 0.5532 1 0.0
