#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/2/10/64/2106426.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2106426
loop_
_publ_author_name
'Riou, A.'
'Bonnin, A.'
_publ_section_title
;
 Structure cristalline de Fe2 (Cr O4)3 (H2 O)3 alpha
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              706
_journal_page_last               709
_journal_volume                  34
_journal_year                    1978
_chemical_formula_sum            'Cr3 Fe2 H6 O15'
_chemical_name_systematic        'Fe2 (Cr O4)3 (H2 O)3'
_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                 108.13
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   15.802
_cell_length_b                   5.436
_cell_length_c                   14.603
_cell_volume                     1192.116
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Riou_ACBCAR_1978_1279.cif
_cod_data_source_block           H6Cr3Fe2O15
_cod_original_formula_sum        'H6 Cr3 Fe2 O15'
_cod_database_code               2106426
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
O3 O-2 0.4438 0.183 0.388 1 0.0
O1 O-2 0.4448 0.02 0.144 1 0.0
O6 O-2 0.147 0.346 0.2275 1 0.0
O10 O-2 0.1066 0.621 0.3993 1 0.0
O7 O-2 0.2253 0.369 0.09 1 0.0
Cr1 Cr+6 0.1302 0.3789 0.115 1 0.0
Fe1 Fe+3 0.0136 0.3828 0.4074 1 0.0
O5 O-2 0.2158 0.893 0.3437 1 0.0
O4 O-2 0.0604 0.141 0.0557 1 0.0
O15 O-2 0.3007 0.946 0.1976 1 0.0
Cr3 Cr+6 0.1165 0.8765 0.3427 1 0.0
O13 O-2 0.2856 0.028 -0.0056 1 0.0
O2 O-2 0.0936 0.108 0.4001 1 0.0
Fe2 Fe+3 0.343 0.2159 0.1225 1 0.0
O9 O-2 0.0823 0.635 0.0805 1 0.0
Cr2 Cr+6 0.4468 0.4502 0.3443 1 0.0
O8 O-2 0.3843 0.455 0.2274 1 0.0
O12 O-2 0.0477 0.882 0.2336 1 0.0
O14 O-2 0.3844 0.468 0.0404 1 0.0
O11 O-2 0.4038 0.641 0.3979 1 0.0
