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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/8/10/37/8103748.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_8103748
loop_
_publ_author_name
'Fleck, M.'
'Giester, G.'
'Kolitsch, U.'
'Hertweck, B.'
'Wildner, M.'
'Prem, M.'
'Wohlschlaeger, A.'
_publ_section_title
;
 Crystal structures of the double salt dihydrates K2 Cd (Se O4)2 * 2(H2
 O), K2 Mn (S O4)2 * 2(H2 O), (N H4)2 Cu (Se O4)2 * 2(H2 O) andK Fe H (S
 O4)2 * 2(H2 O)
;
_journal_name_full
'Zeitschrift fuer Kristallographie (149,1979-)'
_journal_page_first              242
_journal_page_last               248
_journal_volume                  217
_journal_year                    2002
_chemical_formula_sum            'Fe H5 K O10 S2'
_chemical_name_systematic        'K Fe H (S O4)2 (H2 O)2'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                103.86
_cell_angle_beta                 99.77
_cell_angle_gamma                95.66
_cell_formula_units_Z            1
_cell_length_a                   4.626
_cell_length_b                   5.82
_cell_length_c                   8.265
_cell_volume                     210.641
_citation_journal_id_ASTM        ZEKRDZ
_cod_data_source_file            Fleck_ZEKRDZ_2002_1055.cif
_cod_data_source_block           H5Fe1K1O10S2
_cod_original_cell_volume        210.6413
_cod_original_formula_sum        'H5 Fe1 K1 O10 S2'
_cod_database_code               8103748
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,-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
Fe1 Fe+2 0 0 0 1 0.0
O5 O-2 0.2006 0.78106 0.14626 1 0.0
S1 S+6 0.61398 0.3194 0.24521 1 0.0
H3 H+1 0.507 0.438 0.462 0.5 0.0
O2 O-2 0.7932 0.12561 0.20758 1 0.0
O4 O-2 0.3529 0.28235 0.10817 1 0.0
K1 K+1 0 0 0.5 1 0.0
H2 H+1 0.101 0.675 0.166 1 0.0
O1 O-2 0.5161 0.30191 0.40805 1 0.0
O3 O-2 0.78 0.55529 0.27203 1 0.0
H1 H+1 0.348 0.721 0.145 1 0.0
