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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/1/54/18/1541845.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_1541845
loop_
_publ_author_name
'Hector, A.L.'
'Levason, W.'
'Webster, M.'
_publ_section_title
;
 Synthesis and properties of scandium, yttrium and lanthanum periodates.
 Crystal structures of Y (H2 O)3 (I O4 (O H)2) and Y (H2 O)2 (I O3)3
;
_journal_name_full               'Inorganica Chimica Acta'
_journal_page_first              43
_journal_page_last               49
_journal_volume                  298
_journal_year                    2000
_chemical_formula_sum            'H4 I3 O11 Y'
_chemical_name_systematic        '(Y (H2 O)2) (I O3)3'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                79.709
_cell_angle_beta                 85.013
_cell_angle_gamma                71.713
_cell_formula_units_Z            2
_cell_length_a                   7.3268
_cell_length_b                   7.4945
_cell_length_c                   9.3501
_cell_volume                     479.387
_citation_journal_id_ASTM        ICHAA3
_cod_data_source_file            Hector_ICHAA3_2000_235.cif
_cod_data_source_block           H4I3O11Y1
_cod_original_cell_volume        479.3869
_cod_original_formula_sum        'H4 I3 O11 Y1'
_cod_database_code               1541845
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,-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_U_iso_or_equiv
O2 O-2 0.18 0.8927 0.6418 1 0.0
O8 O-2 0.0034 0.5981 0.7682 1 0.0
O1 O-2 0.4203 0.5267 0.6496 1 0.0
Y1 Y+3 0.26944 0.341 0.82376 1 0.0
I3 I+5 -0.10131 0.84133 0.80238 1 0.0
I1 I+5 0.3332 0.74444 0.51787 1 0.0
I2 I+5 0.26477 0.60256 0.13351 1 0.0
O3 O-2 0.1639 0.6787 0.4264 1 0.0
O11 O-2 0.3616 0.017 0.8229 1 0.0
O6 O-2 0.3046 0.5826 -0.0581 1 0.0
O5 O-2 0.0205 0.7595 0.117 1 0.0
O4 O-2 0.39 0.7734 0.1386 1 0.0
O7 O-2 -0.2467 0.9326 0.6474 1 0.0
O10 O-2 0.2145 0.3041 0.5849 1 0.0
O9 O-2 -0.2848 0.7799 0.9296 1 0.0
