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#$Date: 2025-10-31 17:24:25 +0100 (Fri 31 de Oct de 2025) $
#$Revision: 303120 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/77/1527731.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_1527731
loop_
_publ_author_name
'Lindgren, O.'
_publ_section_title
;
 The crystal structure of cerium(IV) sulfate tetrahydrate, Ce(SO4)2 . (H2O)4
;
_journal_coden_ASTM              ACAPCT
_journal_name_full
;
 Acta Chemica Scandinavica, Series A: Physical and Inorganic Chemistry
;
_journal_page_first              453
_journal_page_last               456
_journal_paper_doi               10.3891/acta.chem.scand.31a-0453
_journal_volume                  31
_journal_year                    1977
_chemical_formula_structural     'Ce (S O4)2 (H2 O)4'
_chemical_formula_sum            'Ce H8 O12 S2'
_chemical_name_systematic        'cerium(IV) sulfate tetrahydrate'
_space_group_crystal_system      orthorhombic
_space_group_IT_number           62
_space_group_name_Hall           '-P 2ac 2n'
_space_group_name_H-M_alt        'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   14.5994(17)
_cell_length_b                   11.0064(4)
_cell_length_c                   5.6601(5)
_cell_volume                     909.504
_cod_data_source_file            Lindgren_ACAPCT_1977_779.cif
_cod_data_source_block           H8Ce1O12S2
_cod_depositor_comments
;
 Marking attached hydrogen atoms, adding anisotropic atomic displacement
 parameter values and s.u. values after consulting the original publication.

 Antanas Vaitkus,
 2018-01-15
;
_cod_original_cell_volume        909.5035
_cod_original_formula_sum        'H8 Ce1 O12 S2'
_cod_database_code               1527731
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -x+1/2,-y,z+1/2
3 x+1/2,-y+1/2,-z+1/2
4 -x,y+1/2,-z
5 -x,-y,-z
6 x-1/2,y,-z-1/2
7 -x-1/2,y-1/2,z-1/2
8 x,-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_attached_hydrogens
Ce1 Ce+4 0.17148(3) 0.25 0.12469(9) 1 0
S1 S+6 0.35064(10) 0.05504(13) 0.88347(33) 1 0
O1 O-2 0.2606(4) 0.1170(5) 0.9143(10) 1 0
O2 O-2 0.3319(4) 0.9230(4) 0.8522(9) 1 0
O3 O-2 0.4066(4) 0.0691(5) 0.0931(11) 1 0
O4 O-2 0.3943(4) 0.1040(5) 0.6713(10) 1 0
O5 O-2 0.0251(6) 0.25 0.3128(17) 1 2
O6 O-2 0.2991(5) 0.25 0.3716(17) 1 2
O7 O-2 0.0763(4) 0.1249(5) 0.8934(2) 1 2
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 ROD 3500082
