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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/1/52/80/1528062.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_1528062
loop_
_publ_author_name
'Shamrai, N.B.'
'Varfolomeev, M.B.'
'Saf'yanov, Yu.N.'
'Plyukhin, V.V.'
'Kuz'min, E.A.'
_publ_section_title
;
 Structure of periodates of the rare-earth elements Ln I O5 (H2 O)4 (Ln =
 Pr-Lu And Y)
;
_journal_name_full
;
Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR))
;
_journal_page_first              1588
_journal_page_last               1593
_journal_volume                  3
_journal_year                    1977
_chemical_formula_sum            'H8 I O9 Sm'
_chemical_name_systematic        'Sm I O5 (H2 O)4'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2bc'
_symmetry_space_group_name_H-M   'P 1 1 21/b'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                118.23
_cell_formula_units_Z            4
_cell_length_a                   7.57
_cell_length_b                   10.472
_cell_length_c                   10.392
_cell_volume                     725.819
_citation_journal_id_ASTM        KOKHDC
_cod_data_source_file            Shamrai_KOKHDC_1977_875.cif
_cod_data_source_block           H8I1O9Sm1
_cod_original_cell_volume        725.8187
_cod_original_sg_symbol_Hall     '-P 2ybc (-x,z,y)'
_cod_original_formula_sum        'H8 I1 O9 Sm1'
_cod_database_code               1528062
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
O3 O-2 0.259 0.349 0.259 1 0.0
O5 O-2 0.385 0.101 0.6 1 0.0
O1 O-2 0.069 0.42 0.074 1 0.0
O2 O-2 0.152 0.194 0.05 1 0.0
I1 I+7 0.02 0.2587 0.175 1 0.0
O8 O-2 0.102 0.17 0.799 1 0.0
O7 O-2 0.04 0.398 0.781 1 0.0
O4 O-2 0.445 0.134 0.281 1 0.0
O6 O-2 0.213 0.334 0.587 1 0.0
Sm1 Sm+3 0.2369 0.1784 0.4292 1 0.0
O9 O-2 0.428 0.123 0.954 1 0.0
