#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/53/69/1536987.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_1536987
loop_
_publ_author_name
'Fischer, A.'
_publ_section_title
;
 Ln2 (Cl O4)2 (H2 I2 O10) * 8(H2 O) (Ln = Sm, Gd), a lanthanide
 perchlorate misodiperiodate forming a novel layer structure
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              634
_journal_page_last               636
_journal_volume                  629
_journal_year                    2003
_chemical_formula_sum            'Cl H9 I O13 Sm'
_chemical_name_systematic        'Sm (Cl O4) (H I O5) (H2 O)4'
_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                 101.662
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.8564
_cell_length_b                   7.1799
_cell_length_c                   13.7863
_cell_volume                     1052.430
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Fischer_ZAACAB_2003_880.cif
_cod_data_source_block           H9Cl1I1O13Sm1
_cod_original_cell_volume        1052.429
_cod_original_formula_sum        'H9 Cl1 I1 O13 Sm1'
_cod_database_code               1536987
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
O1 O-2 0.0783 0.3059 0.5396 1 0.0
Cl1 Cl+7 0.5381 0.2651 0.3849 1 0.0
O7 O-2 -0.0065 -0.1879 0.1551 1 0.0
O2 O-2 -0.1026 0.0678 0.4612 1 0.0
O9 O-2 0.3796 0.2356 0.608 1 0.0
O8 O-2 -0.2176 0.1162 0.2316 1 0.0
O10 O-2 0.6432 0.333 0.3452 1 0.0
O13 O-2 0.4471 0.4103 0.3796 1 0.0
O11 O-2 0.5842 0.2111 0.4868 1 0.0
O3 O-2 0.0446 -0.0331 0.3382 1 0.0
O6 O-2 0.211 0.1566 0.229 1 0.0
Sm1 Sm+3 -0.01456 0.1424 0.18204 1 0.0
H1 H+1 0.3046 0.1302 0.4815 1 0.0
O12 O-2 0.4831 0.1043 0.3328 1 0.0
O4 O-2 0.234 0.1498 0.4377 1 0.0
O5 O-2 -0.1877 0.0903 0.0447 1 0.0
I1 I+7 0.06358 0.13632 0.44171 1 0.0
