#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/8/10/41/8104139.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_8104139
loop_
_publ_author_name
'Kirkby, S.J.'
'Lough, A.J.'
'Ozin, G.A.'
_publ_section_title
;
 Crystal structure of potassium aluminium fluoride phosphate, K Al F P O4
;
_journal_name_full
'Zeitschrift fuer Kristallographie (149,1979-)'
_journal_page_first              956
_journal_page_last               956
_journal_volume                  210
_journal_year                    1995
_chemical_formula_sum            'Al F K O4 P'
_chemical_name_systematic        'K (Al F (P O4))'
_space_group_IT_number           52
_symmetry_space_group_name_Hall  '-P 2a 2bc'
_symmetry_space_group_name_H-M   'P n n a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   12.612
_cell_length_b                   10.172
_cell_length_c                   6.205
_cell_volume                     796.035
_citation_journal_id_ASTM        ZEKRDZ
_cod_data_source_file            Kirkby_ZEKRDZ_1995_1849.cif
_cod_data_source_block           Al1F1K1O4P1
_cod_original_cell_volume        796.0349
_cod_original_formula_sum        'Al1 F1 K1 O4 P1'
_cod_database_code               8104139
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z
x,-y+1/2,-z+1/2
-x+1/2,y+1/2,-z+1/2
-x,-y,-z
x-1/2,y,-z
-x,y-1/2,z-1/2
x-1/2,-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
Al1 Al+3 0.63439 0.25 -0.25 1 0.0
O4 O-2 0.7349 0.12 -0.2796 1 0.0
O1 O-2 0.4921 0.3662 0.2021 1 0.0
P1 P+5 0.56615 0.25 0.25 1 0.0
F1 F-1 0.5269 0.3785 -0.2199 1 0.0
O3 O-2 0.6517 0.5202 0.0658 1 0.0
P2 P+5 0.75 0.5 -0.0735 1 0.0
K1 K+1 0.8501 0.1803 0.0493 0.636 0.0
K2 K+1 0.8572 0.0812 0.0339 0.364 0.0
Al2 Al+3 0.5 0.5 0 1 0.0
O2 O-2 0.6346 0.2182 0.055 1 0.0
