#------------------------------------------------------------------------------
#$Date: 2015-09-18 01:23:12 +0200 (Fri, 18 Sep 2015) $
#$Revision: 157333 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/53/17/1531776.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_1531776
loop_
_publ_author_name
'Moeller, A.'
_publ_section_title
;
 Das gemischtvalente ternaere Oxoferrat(II,III) K3 (Fe2 O4) - eine
 aufgefuellte Variante des K2 (Fe2 O4) - Typs
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              2537
_journal_page_last               2541
_journal_volume                  627
_journal_year                    2001
_chemical_formula_sum            'Fe2 K3 O4'
_chemical_name_systematic        'K3 (Fe2 O4)'
_space_group_IT_number           70
_symmetry_space_group_name_Hall  '-F 2uv 2vw'
_symmetry_space_group_name_H-M   'F d d d :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   5.9611
_cell_length_b                   11.403
_cell_length_c                   17.179
_cell_volume                     1167.733
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Moeller_ZAACAB_2001_49.cif
_cod_data_source_block           Fe2K3O4
_cod_database_code               1531776
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/4,-y+1/4,z
x,-y+1/4,-z+1/4
-x+1/4,y,-z+1/4
-x,-y,-z
x-1/4,y-1/4,-z
-x,y-1/4,z-1/4
x-1/4,-y,z-1/4
x,y+1/2,z+1/2
-x+1/4,-y+3/4,z+1/2
x,-y+3/4,-z+3/4
-x+1/4,y+1/2,-z+3/4
-x,-y+1/2,-z+1/2
x-1/4,y+1/4,-z+1/2
-x,y+1/4,z+1/4
x-1/4,-y+1/2,z+1/4
x+1/2,y,z+1/2
-x+3/4,-y+1/4,z+1/2
x+1/2,-y+1/4,-z+3/4
-x+3/4,y,-z+3/4
-x+1/2,-y,-z+1/2
x+1/4,y-1/4,-z+1/2
-x+1/2,y-1/4,z+1/4
x+1/4,-y,z+1/4
x+1/2,y+1/2,z
-x+3/4,-y+3/4,z
x+1/2,-y+3/4,-z+1/4
-x+3/4,y+1/2,-z+1/4
-x+1/2,-y+1/2,-z
x+1/4,y+1/4,-z
-x+1/2,y+1/4,z-1/4
x+1/4,-y+1/2,z-1/4
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 0.5 0.25 0.25 1 0.0
O1 O-2 0.125 0.9436 0.125 1 0.0
K1 K+1 0.125 0.625 0.125 1 0.0
Fe1 Fe+2 0.375 0.875 0.06662 1 0.0
K2 K+1 0.625 0.625 0.234 1 0.0
