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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/79/1527996.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_1527996
loop_
_publ_author_name
'Robinson, M.T.'
_publ_section_title
;
 The crystal structures of beta-K2 S O4 and of beta-K2 P O3 F
;
_journal_name_full               'Journal of Physical Chemistry'
_journal_page_first              925
_journal_page_last               928
_journal_volume                  62
_journal_year                    1958
_chemical_formula_sum            'F K2 O3 P'
_chemical_name_systematic        'K2 P O3 F'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2n'
_symmetry_space_group_name_H-M   'P n a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.543
_cell_length_b                   10.16
_cell_length_c                   5.953
_cell_volume                     456.219
_citation_journal_id_ASTM        JPCHAX
_cod_data_source_file            Robinson_JPCHAX_1958_1613.cif
_cod_data_source_block           F1K2O3P1
_cod_original_cell_volume        456.2194
_cod_original_sg_symbol_Hall     '-P 2ac 2n (-x,z,y)'
_cod_original_formula_sum        'F1 K2 O3 P1'
_cod_database_code               1527996
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,y+1/2,-z
x+1/2,-y+1/2,-z+1/2
-x,-y,z+1/2
-x,-y,-z
x-1/2,-y-1/2,z
-x-1/2,y-1/2,z-1/2
x,y,-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
O1 O-2 0.323 0.5492 0.25 1 0.0
K2 K+1 0.0046 0.7224 0.25 1 0.0
K1 K+1 0.1801 0.078 0.25 1 0.0
O2 O-2 0.2643 0.334 0.0405 1 0.0
F1 F-1 0.0385 0.4203 0.25 1 0.0
P1 P+5 0.2437 0.42 0.25 1 0.0
