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#$Date: 2016-02-13 19:28:24 +0000 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/25/1532553.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_1532553
loop_
_publ_author_name
'Huynh, T.'
'Singh, B.'
'Tong, A.R.'
'Kennedy, B.J.'
_publ_section_title
;
 Cd-substituted goethites - a structural investigation by synchrotron
 X-ray diffraction
;
_journal_name_full               'Clays and Clay Minerals (29,1981-)'
_journal_page_first              397
_journal_page_last               402
_journal_volume                  51
_journal_year                    2003
_chemical_formula_sum            'Cd0.1 Fe0.9 H O2'
_chemical_name_systematic        '(Fe0.9 Cd0.1) O (O H)'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2ab'
_symmetry_space_group_name_H-M   'P b n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   4.6406
_cell_length_b                   10.0653
_cell_length_c                   3.0478
_cell_volume                     142.360
_citation_journal_id_ASTM        CLCMAB
_cod_data_source_file            Huynh_CLCMAB_2003_683.cif
_cod_data_source_block           H1Cd0.1Fe0.9O2
_cod_original_cell_volume        142.3598
_cod_original_sg_symbol_Hall     '-P 2ac 2n (z,x,y)'
_cod_original_formula_sum        'H1 Cd0.1 Fe0.9 O2'
_cod_database_code               1532553
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x+1/2,-y+1/2,-z
-x+1/2,y+1/2,-z+1/2
-x,-y,z+1/2
-x,-y,-z
-x-1/2,y-1/2,z
x-1/2,-y-1/2,z-1/2
x,y,-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
O2 O-2 0.2049 0.0549 0.25 1 0.0
Fe1 Fe+3 0.0464 0.855 0.25 0.9 0.0
O1 O-2 0.7052 0.2036 0.25 1 0.0
Cd1 Cd+2 0.0464 0.855 0.25 0.1 0.0