data_global _amcsd_formula_title '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 ; _database_code_amcsd 0010423 _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 _exptl_crystal_density_diffrn 3.341 _symmetry_space_group_name_H-M 'P 1 21 1' loop_ _space_group_symop_operation_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_U_iso_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 loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 Cs 0.03720 0.02350 0.03600 -0.00028 0.02020 -0.00060 La 0.00746 0.00934 0.00701 0.00021 0.00226 -0.00030 P1 0.01170 0.01080 0.00640 -0.00040 0.00230 0.00080 P2 0.00930 0.01320 0.00950 -0.00180 0.00290 0.00090 P3 0.01020 0.01050 0.00990 -0.00020 0.00150 -0.00140 P4 0.01280 0.01200 0.01090 0.00130 0.00310 0.00390 O1 0.02600 0.01800 0.01300 -0.00030 0.00390 0.00340 O2 0.02600 0.01200 0.01400 0.00440 -0.00110 -0.00590 O3 0.01190 0.01600 0.00960 0.00230 0.00320 0.00310 O4 0.01300 0.02000 0.01700 0.00240 0.00680 0.01130 O5 0.01100 0.03000 0.00980 -0.00410 0.00180 -0.00280 O6 0.01350 0.01800 0.02400 0.00060 0.00820 0.00080 O7 0.01900 0.02300 0.01700 -0.01190 0.00830 -0.00890 O8 0.01010 0.04400 0.01400 -0.01120 0.00070 -0.00290 O9 0.05100 0.01800 0.02200 -0.01500 0.01100 -0.01120 O10 0.04200 0.06000 0.03500 0.03900 0.01800 0.01400 O11 0.04800 0.01900 0.01600 -0.01800 -0.00900 0.00590 O12 0.02400 0.03600 0.02200 0.00240 0.01500 0.01060