#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/72/1537201.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_1537201
loop_
_publ_author_name
'Kuznetsov, V.Ya.'
'Rogachev, D.L.'
'Godneva, M.M.'
_publ_section_title
;
 Crystallographic characteristics of several sulfate and fluorosulfate
 zirconium compounds
;
_journal_name_full               'Zhurnal Neorganicheskoi Khimii'
_journal_page_first              211
_journal_page_last               218
_journal_volume                  39
_journal_year                    1994
_chemical_formula_sum            'F4 K2 O4 S Zr'
_chemical_name_systematic        'K2 Zr F4 (S O4)'
_space_group_IT_number           57
_symmetry_space_group_name_Hall  '-P 2c 2b'
_symmetry_space_group_name_H-M   'P b c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.091
_cell_length_b                   13.803
_cell_length_c                   7.358
_cell_volume                     720.180
_citation_journal_id_ASTM        ZNOKAQ
_cod_data_source_file            Kuznetsov_ZNOKAQ_1994_1414.cif
_cod_data_source_block           F4K2O4S1Zr1
_cod_original_cell_volume        720.1795
_cod_original_formula_sum        'F4 K2 O4 S1 Zr1'
_cod_database_code               1537201
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z+1/2
x,-y+1/2,-z
-x,y+1/2,-z+1/2
-x,-y,-z
x,y,-z-1/2
-x,y-1/2,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
K1 K+1 0.121 0.5124 0.25 1 0.0
O6 O-2 0.432 0.001 0.25 0.5 0.0
O5 O-2 0.567 0.152 0.25 0.5 0.0
O3 O-2 0.239 0.025 0.25 0.5 0.0
O1 O-2 0.356 0.165 0.084 0.5 0.0
O4 O-2 0.293 0.136 0.082 0.5 0.0
Zr1 Zr+4 0.1071 0.25 0 1 0.0
F2 F-1 0.23 0.312 0.25 1 0.0
O2 O-2 0.562 0.063 0.25 0.5 0.0
F3 F-1 0.981 0.298 0.75 1 0.0
K2 K+1 0.386 0.8334 0.25 1 0.0
F1 F-1 0.934 0.361 0.447 1 0.0
S1 S+6 0.386 0.1024 0.25 1 0.0
