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#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/45/1534508.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_1534508
loop_
_publ_author_name
'Lepert, D.L.'
'Patrick, J.M.'
'White, A.H.'
_publ_section_title
;
 Structure and Stereochemistry in 'f-Block' Complexes of High Coordination
 Number. VII The (M(unidentate X)2(unidentate Y)6) System: Crystal
 Structure of Hexaaquadichloroeuropium(III) Chloride (a Redetermination)
;
_journal_name_full               'Australian Journal of Chemistry'
_journal_page_first              477
_journal_page_last               482
_journal_volume                  36
_journal_year                    1983
_chemical_formula_sum            'Cl3 Eu H12 O6'
_chemical_name_systematic        '(Eu Cl2 (O H2)6) Cl'
_space_group_IT_number           13
_symmetry_space_group_name_Hall  '-P 2yac'
_symmetry_space_group_name_H-M   'P 1 2/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 93.67
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.659
_cell_length_b                   6.529
_cell_length_c                   7.936
_cell_volume                     499.446
_citation_journal_id_ASTM        AJCHAS
_cod_data_source_file            Lepert_AJCHAS_1983_268.cif
_cod_data_source_block           H12Cl3Eu1O6
_cod_original_cell_volume        499.4465
_cod_original_sg_symbol_Hall     '-P 2yc (x-z,y,z)'
_cod_original_formula_sum        'H12 Cl3 Eu1 O6'
_cod_database_code               1534508
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,y,-z+1/2
-x,-y,-z
x-1/2,-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
H2 H+1 0.165 0.055 -0.136 1 0.0
H5 H+1 0.2 0.452 0.003 1 0.0
H1 H+1 0.299 -0.09 -0.068 1 0.0
Cl2 Cl-1 0.0585 -0.1648 0.2603 1 0.0
H3 H+1 0.053 0.243 0.491 1 0.0
Cl1 Cl-1 0.25 0.6243 0.75 1 0.0
O3 O-2 0.1456 0.4269 0.0872 1 0.0
Eu1 Eu+3 0.25 0.15096 0.25 1 0.0
O1 O-2 0.2179 -0.048 -0.0443 1 0.0
O2 O-2 0.0613 0.299 0.394 1 0.0
H6 H+1 0.11 0.547 0.136 1 0.0
H4 H+1 -0.033 0.338 0.338 1 0.0
