#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/2/31/03/2310384.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2310384
loop_
_publ_author_name
'Forrester, J.D.'
'Zalkin, A.'
'Senko, M.E.'
'Templeton, D.H.'
_publ_section_title
;
 Crystal Structure of K H2 F3 and Geometry of the H2 F3(-) Ion
;
_journal_name_full               'Acta Crystallographica (1,1948-23,1967)'
_journal_page_first              58
_journal_page_last               62
_journal_volume                  16
_journal_year                    1963
_chemical_formula_sum            'F3 H2 K'
_chemical_name_systematic        'K H2 F3'
_space_group_IT_number           19
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   8.52
_cell_length_b                   11.09
_cell_length_c                   6.69
_cell_volume                     632.117
_citation_journal_id_ASTM        ACCRA9
_cod_data_source_file            Forrester_ACCRA9_1963_942.cif
_cod_data_source_block           H2F3K1
_cod_original_cell_volume        632.1168
_cod_original_formula_sum        'H2 F3 K1'
_cod_database_code               2310384
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x+1/2,-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 0.2317 0.1789 0.0219 1 0.0
K2 K+1 0.1224 0.5974 0.0217 1 0.0
F3 F-1 0.1154 0.3625 0.2402 1 0.0
F6 F-1 0.4195 0.3929 0.9246 1 0.0
F4 F-1 0.0877 0.4681 0.6874 1 0.0
F2 F-1 0.1989 0.0629 0.4338 1 0.0
F1 F-1 0.3582 0.1737 0.6544 1 0.0
F5 F-1 0.5022 0.2229 0.2415 1 0.0
