#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/83/1528354.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_1528354
loop_
_publ_author_name
'Beurskens, G.'
'Jeffrey, G.A.'
_publ_section_title
;
 Crystal structure of potassium fluoride tetrahydrate
;
_journal_name_full               'Journal of Chemical Physics'
_journal_page_first              917
_journal_page_last               923
_journal_volume                  41
_journal_year                    1964
_chemical_formula_sum            'F H8 K O4'
_chemical_name_systematic        'K F (H2 O)4'
_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                 90.7
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.8
_cell_length_b                   13.29
_cell_length_c                   6.64
_cell_volume                     600.025
_citation_journal_id_ASTM        JCPSA6
_cod_data_source_file            Beurskens_JCPSA6_1964_1775.cif
_cod_data_source_block           H8F1K1O4
_cod_original_cell_volume        600.0253
_cod_original_formula_sum        'H8 F1 K1 O4'
_cod_database_code               1528354
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
H5 H+1 0.2 0.11 0.52 1 0.0
H7 H+1 0.174 0.007 0.082 1 0.0
H2 H+1 0.392 0.167 0.051 1 0.0
O3 O-2 0.2907 0.4312 0.1153 1 0.0
O4 O-2 0.803 0.4382 0.3685 1 0.0
H6 H+1 0.26 0.415 0.235 1 0.0
H4 H+1 0.077 0.255 0.409 1 0.0
H8 H+1 0.919 0.412 0.396 1 0.0
H1 H+1 0.64 0.37 0.52 1 0.0
F1 F-1 0.1633 0.1309 0.9911 1 0.0
H3 H+1 0.052 0.165 0.246 1 0.0
O2 O-2 0.0375 0.186 0.3644 1 0.0
K1 K+1 0.6668 0.131 0.4987 1 0.0
O1 O-2 0.5444 0.1754 0.1062 1 0.0
