#------------------------------------------------------------------------------ #$Date: 2010-01-30 15:59:17 +0200 (Sat, 30 Jan 2010) $ #$Revision: 966 $ #$URL: file:///home/coder/svn-repositories/cod/cif/9/9002887.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_9002887 loop_ _publ_author_name 'Wallwork K S' 'Pring A' 'Taylor M R' 'Hunter B A' _publ_section_title ; A model for the structure of the hydrated aluminum phosphate, kingite determined by ab initio powder diffraction methods ; _journal_name_full 'American Mineralogist' _journal_page_first 235 _journal_page_last 239 _journal_volume 88 _journal_year 2003 _chemical_formula_sum 'Al3 F2 O16 P2' _[local]_cod_chemical_formula_sum_orig 'Al3 P2 F2 O16' _chemical_name_mineral Kingite _symmetry_space_group_name_H-M 'P -1' _cell_angle_alpha 97.60 _cell_angle_beta 100.88 _cell_angle_gamma 96.01 _cell_length_a 9.377 _cell_length_b 10.113 _cell_length_c 7.138 _cell_volume 653.015 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x,-y,-z loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv Al1 0.68160 0.84600 0.61410 0.02026 Al2 0.44780 0.71150 0.17790 0.02026 Al3 0.22870 0.62140 -0.29360 0.02026 P1 0.33440 0.86750 0.51870 0.01393 P2 0.57370 0.60310 -0.18660 0.01393 F1 0.60250 0.72950 0.38060 0.04559 F2 0.28740 0.69340 -0.03240 0.04559 O1 0.49320 0.90320 0.65970 0.01267 O2 0.72130 0.98870 0.49070 0.01267 O3 0.68380 0.71090 0.75960 0.01267 O4 0.76210 0.98230 0.87600 0.00253 O5 0.88930 0.82830 0.61310 0.00253 O6 0.32620 0.79540 0.31910 0.01267 O7 0.57030 0.63660 0.02330 0.01267 O8 0.37010 0.54310 0.23270 0.01267 O9 0.51180 0.88250 0.10890 0.00253 O10 0.25280 0.79520 -0.35040 0.01013 O11 0.41770 0.59410 -0.30910 0.01013 O12 0.03760 0.63140 -0.26520 0.00253 O13 0.16960 0.54670 -0.55650 0.00253 O14 0.18840 0.44050 -0.22810 0.00253 O15 0.90140 0.94600 0.21220 0.01267 O16 0.97230 0.29060 -0.11720 0.01267 _cod_database_code 9002887