#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/94/1539425.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_1539425
loop_
_publ_author_name
'Valkonen, J.'
'Koskenlinna, M.'
_publ_section_title
;
 The crystal structure of iron(III) hydrogen biselenite, Fe H (Se O3)2
;
_journal_name_full
'Acta Chemica Scandinavica, Series A: (28,1974-)'
_journal_page_first              603
_journal_page_last               606
_journal_volume                  32
_journal_year                    1978
_chemical_formula_sum            'Fe H O6 Se2'
_chemical_name_systematic        'Fe H (Se O3)2'
_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                 92.76
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.409
_cell_length_b                   9.921
_cell_length_c                   8.108
_cell_volume                     514.939
_citation_journal_id_ASTM        ACAPCT
_cod_data_source_file            Valkonen_ACAPCT_1978_259.cif
_cod_data_source_block           H1Fe1O6Se2
_cod_original_cell_volume        514.9385
_cod_original_formula_sum        'H1 Fe1 O6 Se2'
_cod_database_code               1539425
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
O2 O-2 0.0257 0.864 0.4043 1 0.0
O6 O-2 0.5632 0.664 0.8219 1 0.0
O3 O-2 0.856 0.0021 0.1598 1 0.0
O4 O-2 0.3938 0.625 0.1076 1 0.0
O5 O-2 0.4774 0.8714 0.0024 1 0.0
Se2 Se+4 0.594 0.7132 0.0213 1 0.0
Fe1 Fe+3 0.4448 0.5066 0.2989 1 0.0
Se1 Se+4 0.069 0.9074 0.2016 1 0.0
O1 O-2 0.2488 0.0279 0.2313 1 0.0
