#------------------------------------------------------------------------------ #$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $ #$Revision: 19 $ #$URL: file:///home/coder/svn-repositories/cod/cif/9/9007965.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_9007965 _chemical_name 'CsLa(PO3)4' loop_ _publ_author_name 'Sun T' 'Shen G' 'Wang X' 'Wang R' 'Wei J' 'Shen D' _journal_name_full "Acta Crystallographica, Section E" _journal_volume 60 _journal_year 2004 _journal_page_first i28 _journal_page_last i30 _publ_section_title ; CsLa(PO3)4 ; _chemical_formula_sum 'Cs La P4 O12' _cell_length_a 7.218 _cell_length_b 9.254 _cell_length_c 8.864 _cell_angle_alpha 90 _cell_angle_beta 99.377 _cell_angle_gamma 90 _cell_volume 584.163 _symmetry_space_group_name_H-M 'P 1 21 1' loop_ _symmetry_equiv_pos_as_xyz 'x,y,z' '-x,1/2+y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_Uiso_or_equiv Cs 0.32599 0.06604 -0.17489 0.03065 La 0.20222 -0.09932 0.30272 0.00782 P1 0.91680 0.17812 0.07312 0.00950 P2 0.69456 -0.02300 0.22824 0.01050 P3 0.64740 0.02504 0.54399 0.01020 P4 0.93930 -0.20722 0.62514 0.01180 O1 0.85670 0.25110 -0.07430 0.01900 O2 0.96070 0.30210 0.19930 0.01790 O3 0.07370 0.07220 0.08940 0.01240 O4 0.73050 0.10600 0.11700 0.01610 O5 0.49500 -0.06650 0.18250 0.01700 O6 0.84330 -0.13330 0.23290 0.01810 O7 0.72310 0.05730 0.38860 0.01910 O8 0.46260 -0.04480 0.51100 0.02290 O9 0.66240 0.15840 0.63490 0.02970 O10 0.78750 -0.08750 0.63330 0.04420 O11 0.85210 -0.34990 0.59410 0.02920 O12 0.07700 -0.15120 0.53490 0.02570