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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/1/53/02/1530293.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_1530293
loop_
_publ_author_name
'Liminga, R.'
'Abrahams, S.C.'
'Bernstein, J.L.'
_publ_section_title
;
 Paramagnetic Gd (I O3)3. Crystal Structure of the Transition Metal
 Iodates. IV
;
_journal_name_full               'Journal of Chemical Physics'
_journal_page_first              1015
_journal_page_last               1023
_journal_volume                  67
_journal_year                    1977
_chemical_formula_sum            'Gd I3 O9'
_chemical_name_systematic        'Gd (I O3)3'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 99.717
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.4365
_cell_length_b                   8.5226
_cell_length_c                   7.1356
_cell_volume                     805.403
_citation_journal_id_ASTM        JCPSA6
_cod_data_source_file            Liminga_JCPSA6_1977_338.cif
_cod_data_source_block           Gd1I3O9
_cod_original_cell_volume        805.4025
_cod_original_sg_symbol_Hall     '-P 2ybc (z,y,-x)'
_cod_original_formula_sum        'Gd1 I3 O9'
_cod_database_code               1530293
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,y+1/2,-z
-x,-y,-z
x-1/2,-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_U_iso_or_equiv
O8 O-2 0.04635 0.83152 0.36268 1 0.0
O2 O-2 0.32357 0.68724 0.14494 1 0.0
O4 O-2 0.52133 0.07747 0.32242 1 0.0
Gd1 Gd+3 0.14459 0.25391 0.1734 1 0.0
O7 O-2 0.01276 0.8321 -0.03251 1 0.0
O3 O-2 0.36402 0.67367 0.52522 1 0.0
O9 O-2 0.18209 0.97035 0.16114 1 0.0
O1 O-2 0.23142 0.46783 0.34067 1 0.0
O5 O-2 0.3873 -0.02782 0.0241 1 0.0
O6 O-2 0.32555 0.20734 0.23274 1 0.0
I3 I+5 0.11109 0.79098 0.16731 1 0.0
I1 I+5 0.35672 0.54178 0.32957 1 0.0
I2 I+5 0.39118 0.0204 0.27095 1 0.0
