#------------------------------------------------------------------------------
#$Date: 2015-07-06 22:59:11 +0200 (Mon, 06 Jul 2015) $
#$Revision: 140471 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/52/09/1520905.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_1520905
loop_
_publ_author_name
'Bronger, W.'
'Genin, H.S.'
'Mueller, P.'
_publ_section_title
;
 K3 Fe Se3 und K3 Fe2 Se4, zwei neue Verbindungen im System K / Fe /Se
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              274
_journal_page_last               278
_journal_volume                  625
_journal_year                    1999
_chemical_formula_sum            'Fe2 K3 Se4'
_chemical_name_systematic        'K3 (Fe2 Se4)'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.433
_cell_length_b                   11.341
_cell_length_c                   12.016
_cell_volume                     1012.921
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Bronger_ZAACAB_1999_857.cif
_cod_data_source_block           Fe2K3Se4
_cod_database_code               1520905
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x+1/2,-y+1/2,-z+1/2
-x,y+1/2,-z
-x,-y,-z
x-1/2,y,-z-1/2
-x-1/2,y-1/2,z-1/2
x,-y-1/2,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
Se2 Se-2 0.2968 0.25 0.5334 1 0.0
K1 K+1 0.0807 0.25 0.7649 1 0.0
Fe1 Fe+2 0.0529 0.3763 0.4678 1 0.0
K2 K+1 0.069 0.4274 0.1367 1 0.0
Se1 Se-2 0.1597 0.5578 0.3876 1 0.0
Se3 Se-2 0.4069 0.25 0.1648 1 0.0
