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#$Date: 2016-01-03 11:44:29 +0200 (Sun, 03 Jan 2016) $
#$Revision: 172561 $
#$URL: svn://www.crystallography.net/cod/cif/1/54/12/1541271.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_1541271
loop_
_publ_author_name
'Mueller, H.P.'
'Hoppe, R.'
_publ_section_title
;
 Das erste oligomere Oxoferrat(III): K14 (Fe4 O13)
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              57
_journal_page_last               70
_journal_volume                  580
_journal_year                    1990
_chemical_formula_sum            'Fe4 K14 O13'
_chemical_name_systematic        'K14 (Fe4 O13)'
_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                 119.41
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   6.718
_cell_length_b                   29.562
_cell_length_c                   6.721
_cell_volume                     1162.759
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Mueller_ZAACAB_1990_1928.cif
_cod_data_source_block           Fe4K14O13
_cod_database_code               1541271
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
O4 O-2 0.07107 0.82954 0.23161 1 0.0
Fe2 Fe+3 0.35251 0.83628 0.49912 1 0.0
O6 O-2 0.56286 0.70599 0.00165 1 0.0
K4 K+1 0.14796 0.94967 0.49876 1 0.0
K2 K+1 0.28181 0.88583 0.04223 1 0.0
O1 O-2 0.47248 0.89641 0.50106 1 0.0
K3 K+1 0.7241 0.78024 0.94851 1 0.0
K6 K+1 0.27466 0.77047 0.0544 1 0.0
K7 K+1 0.74005 0.88812 0.95706 1 0.0
O5 O-2 0.06192 0.05683 0.23535 1 0.0
O3 O-2 0.33137 0.67151 0.2654 1 0.0
O2 O-2 0.32559 0.05665 0.76663 1 0.0
Fe1 Fe+3 0.65423 0.9456 0.49937 1 0.0
K1 K+1 0.2702 0.99911 0.04042 1 0.0
O7 O-2 0.5 0 0.5 1 0.0
K5 K+1 0.87016 0.84879 0.50207 1 0.0
