#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/40/1534049.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_1534049
loop_
_publ_author_name
'Lindgren, O.'
_publ_section_title
;
 The crystal structure of a dimeric cerium(IV) sulfate, Ce2 (O H)2 (S O4)3
 (H2 O)4
;
_journal_name_full
'Acta Chemica Scandinavica, Series A: (28,1974-)'
_journal_page_first              163
_journal_page_last               166
_journal_volume                  31
_journal_year                    1977
_chemical_formula_sum            'Ce2 H10 O18 S3'
_chemical_name_systematic        'Ce2 (O H)2 (S O4)3 (H2 O)4'
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-A 2a'
_symmetry_space_group_name_H-M   'A 1 1 2/a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                95.39
_cell_formula_units_Z            4
_cell_length_a                   15.583
_cell_length_b                   13.448
_cell_length_c                   6.748
_cell_volume                     1407.859
_citation_journal_id_ASTM        ACAPCT
_cod_data_source_file            Lindgren_ACAPCT_1977_876.cif
_cod_data_source_block           H10Ce2O18S3
_cod_original_sg_symbol_Hall     '-C 2yc (z,x,y)'
_cod_original_formula_sum        'H10 Ce2 O18 S3'
_cod_database_code               1534049
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z
-x,-y,-z
x-1/2,y,-z
x,y+1/2,z+1/2
-x+1/2,-y+1/2,z+1/2
-x,-y+1/2,-z+1/2
x-1/2,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
O8 O-2 0.3949 0.2555 0.4642 1 0.0
O6 O-2 0.2899 0.4286 0.6431 1 0.0
Ce1 Ce+4 0.08607 0.10763 -0.02215 1 0.0
O3 O-2 0.1343 0.2889 0.4426 1 0.0
S2 S+6 0.25 0 0.2732 1 0.0
S1 S+6 0.56723 0.20905 0.52131 1 0.0
O4 O-2 0.0943 0.1453 0.6409 1 0.0
O7 O-2 0.1439 0.479 0.2852 1 0.0
O2 O-2 0.0517 0.146 0.3031 1 0.0
O5 O-2 0.3165 0.056 0.3931 1 0.0
O9 O-2 0.0428 0.4577 0.6239 1 0.0
O1 O-2 -0.0149 0.2472 0.5367 1 0.0
