#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/57/1525775.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_1525775
loop_
_publ_author_name
'Lim, K.C.'
'White, A.H.'
'Skelton, B.W.'
_publ_section_title
;
 Structural systematics of rare earth complexes. XXII.
 ('Maximally')hydrated rare earth iodides
;
_journal_name_full               'Australian Journal of Chemistry'
_journal_page_first              867
_journal_page_last               873
_journal_volume                  53
_journal_year                    2000
_chemical_formula_sum            'Er H20 I3 O10'
_chemical_name_systematic        '(Er (H2 O)8) I3 (H2 O)2'
_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                 103.676
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.196
_cell_length_b                   12.87
_cell_length_c                   17.106
_cell_volume                     1753.227
_citation_journal_id_ASTM        AJCHAS
_cod_data_source_file            Lim_AJCHAS_2000_105.cif
_cod_data_source_block           H20Er1I3O10
_cod_original_formula_sum        'H20 Er1 I3 O10'
_cod_database_code               1525775
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
O7 O-2 0.422 0.0979 0.2012 1 0.0
O10 O-2 0.4083 0.5297 0.1523 1 0.0
O5 O-2 0.0027 0.1187 0.0427 1 0.0
Er1 Er+3 0.18398 0.19796 0.15509 1 0.0
I3 I-1 0.23842 0.02437 0.43436 1 0.0
O6 O-2 0.3209 0.1945 0.0507 1 0.0
O8 O-2 0.1029 0.0384 0.2003 1 0.0
I2 I-1 0.30073 0.46481 0.38777 1 0.0
O4 O-2 0.2215 0.2195 0.2931 1 0.0
O3 O-2 0.3938 0.3243 0.1934 1 0.0
O2 O-2 0.0851 0.3454 0.0803 1 0.0
O9 O-2 0.6363 0.2624 0.0452 1 0.0
O1 O-2 -0.084 0.2337 0.1751 1 0.0
I1 I-1 0.22988 0.78555 0.14611 1 0.0
