#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/2/10/74/2107421.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_2107421
loop_
_publ_author_name
'Gravereau, P.'
'Hardy, A.M.'
_publ_section_title
;
 La serie M(I) M(III) (X O4)2 (H2 O)n: Structure cristalline de K Fe (Cr
 O4)2 (H2 O)2, nouveau type dans la serie des chromates des fer dihydrates
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              2333
_journal_page_last               2337
_journal_volume                  28
_journal_year                    1972
_chemical_formula_sum            'Cr2 Fe H4 K O10'
_chemical_name_systematic        'K Fe (Cr O4)2 (H2 O)2'
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 137.87
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   10.857
_cell_length_b                   5.505
_cell_length_c                   10.374
_cell_volume                     415.926
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Gravereau_ACBCAR_1972_279.cif
_cod_data_source_block           H4Cr2Fe1K1O10
_cod_original_cell_volume        415.9261
_cod_original_formula_sum        'H4 Cr2 Fe1 K1 O10'
_cod_database_code               2107421
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z
-x,-y,-z
x,-y,z
x+1/2,y+1/2,z
-x+1/2,y+1/2,-z
-x+1/2,-y+1/2,-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
O4 O-2 0.1229 0 0.9157 1 0.0
K1 K+1 0 0.5 0.5 1 0.0
O3 O-2 0.8724 0 0.5168 1 0.0
O2 O-2 0.5103 0 0.2477 1 0.0
Cr1 Cr+6 0.6839 0 0.2894 1 0.0
Fe1 Fe+3 0 0 0 1 0.0
O1 O-2 0.6797 0.7394 0.1933 1 0.0
