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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/1/53/32/1533200.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_1533200
loop_
_publ_author_name
'Galicka, K.'
'Slodczyk, A.'
'Ratuszna, A.'
'Daniel, P.'
'Malecki, G.'
_publ_section_title
;
 Raman scattering and X-ray powder diffraction studies of hydrate layered
 perovskites: dirubidium aquapentafluoromanganate(III) and dipotassium
 aquapentafluoroferrate(III)
;
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              1055
_journal_page_last               1064
_journal_volume                  39
_journal_year                    2004
_chemical_formula_sum            'F5 Fe H2 K2 O'
_chemical_name_systematic        'K2 (Fe F5 (H2 O))'
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 96.561
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.971
_cell_length_b                   8.045
_cell_length_c                   7.745
_cell_volume                     617.209
_citation_journal_id_ASTM        MRBUAC
_cod_data_source_file            Galicka_MRBUAC_2004_1920.cif
_cod_data_source_block           H2F5Fe1K2O1
_cod_original_cell_volume        617.2094
_cod_original_formula_sum        'H2 F5 Fe1 K2 O1'
_cod_database_code               1533200
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z+1/2
-x,-y,-z
x,-y,z-1/2
x+1/2,y+1/2,z
-x+1/2,y+1/2,-z+1/2
-x+1/2,-y+1/2,-z
x+1/2,-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
K1 K+1 0.29 -0.01 0.46 1 0.0
O1 O-2 0 -0.05 0.25 1 0.0
F1 F-1 0.07 0.2 0.48 1 0.0
Fe1 Fe+3 0 0.2 0.25 1 0.0
F2 F-1 0.18 0.19 0.19 1 0.0
F3 F-1 0 0.45 0.25 1 0.0
