data_global _chemical_name_mineral 'Phosinaite-(Ce)' loop_ _publ_author_name 'McDonald A M' 'Chao G Y' _journal_name_full 'The Canadian Mineralogist' _journal_volume 34 _journal_year 1996 _journal_page_first 107 _journal_page_last 114 _publ_section_title ; Phosinaite-(Ce) from Mont Saint-Hilaire, Quebec: New data and structure refinement ; _database_code_amcsd 0005482 _chemical_compound_source 'Mont Saint-Hilaire, Quebec, Canada' _chemical_formula_sum 'Si4 P4 Na12.72 Ca1.98 Mn.16 Ce.49 La.32 Th.09 Nd.07 Pr.02 O28' _cell_length_a 12.297 _cell_length_b 14.660 _cell_length_c 7.245 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 1306.085 _exptl_crystal_density_diffrn 3.081 _symmetry_space_group_name_H-M 'P 2 21 21' loop_ _space_group_symop_operation_xyz 'x,y,z' '-x,1/2-y,1/2+z' '-x,1/2+y,1/2-z' 'x,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Si1 0.32200 0.88910 0.30980 1.00000 Si2 0.36460 0.91110 0.74490 1.00000 P1 0.97360 0.12550 0.22950 1.00000 P2 0.30640 0.61830 0.76580 1.00000 Na1 0.18290 0.75880 0.54400 1.00000 Na2 0.00300 0.34910 0.22370 1.00000 Na3 0.17140 0.50000 0.50000 1.00000 Na4 0.16040 0.50000 0.00000 1.00000 Na5 0.87720 0.50000 0.00000 1.00000 Na6 0.45040 0.50000 0.00000 1.00000 Na7 0.33070 0.63980 0.26350 1.00000 Na8 0.45610 0.50000 0.50000 1.00000 Na9 0.19020 0.76620 0.02400 0.86000 Ca9 0.19020 0.76620 0.02400 0.07000 Ca10 0.49710 0.75000 0.52100 0.92000 Mn10 0.49710 0.75000 0.52100 0.08000 Ce 0.13955 0.00000 0.00000 0.49000 La 0.13955 0.00000 0.00000 0.32000 Th 0.13955 0.00000 0.00000 0.09000 Nd 0.13955 0.00000 0.00000 0.07000 Pr 0.13955 0.00000 0.00000 0.02000 O1 0.64920 0.83900 0.08960 1.00000 O2 0.81240 0.14800 0.70760 1.00000 O3 0.68730 0.01440 0.75130 1.00000 O4 0.37410 0.79760 0.23600 1.00000 O5 0.14420 0.34240 0.72000 1.00000 O6 0.98120 0.98080 0.75850 1.00000 O7 0.37200 0.35220 0.06360 1.00000 O8 0.03350 0.14760 0.04870 1.00000 O9 0.19630 0.90390 0.26140 1.00000 O10 0.47280 0.85760 0.79120 1.00000 O11 0.39620 0.97890 0.25140 1.00000 O12 0.67040 0.61520 0.03590 1.00000 O13 0.26100 0.10580 0.13300 1.00000 O14 0.97120 0.33630 0.89870 1.00000 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 Si1 0.02040 0.01150 0.01910 0.00140 -0.00360 -0.00080 Si2 0.01360 0.01180 0.01520 0.00090 0.00050 0.00010 P1 0.01380 0.01980 0.02290 -0.00210 -0.00010 -0.00370 P2 0.01240 0.01290 0.01390 -0.00140 -0.00040 0.00010 Na1 0.03760 0.03700 0.04100 0.01290 0.00180 0.00800 Na2 0.03060 0.06370 0.03710 0.00280 0.00110 0.00010 Na3 0.01980 0.05660 0.03390 0.00000 0.00000 0.00000 Na4 0.02780 0.03900 0.03930 0.00000 0.00000 0.00000 Na5 0.03310 0.04920 0.02800 0.00000 0.00000 0.00000 Na6 0.02580 0.02960 0.02890 0.00000 0.00000 0.00000 Na7 0.01810 0.01430 0.02280 -0.00230 0.00210 -0.00010 Na8 0.03060 0.03940 0.02470 0.00000 0.00000 0.00140 Na9 0.04810 0.02030 0.02220 -0.00200 0.00070 -0.00150 Ca9 0.04810 0.02030 0.02220 -0.00200 0.00070 -0.00150 Ca10 0.01810 0.01660 0.02240 -0.00450 -0.00030 -0.00320 Mn10 0.01810 0.01660 0.02240 -0.00450 -0.00030 -0.00320 Ce 0.01200 0.01300 0.01180 0.00000 0.00000 0.00000 La 0.01200 0.01300 0.01180 0.00000 0.00000 0.00000 Th 0.01200 0.01300 0.01180 0.00000 0.00000 0.00000 Nd 0.01200 0.01300 0.01180 0.00000 0.00000 0.00000 Pr 0.01200 0.01300 0.01180 0.00000 0.00000 0.00000 O1 0.02750 0.03050 0.01860 -0.00490 -0.00110 -0.00370 O2 0.01760 0.02580 0.03920 -0.00420 0.00550 0.00140 O3 0.03180 0.01000 0.02840 -0.00070 -0.00450 0.00210 O4 0.03040 0.01320 0.04450 0.00200 0.01040 -0.00400 O5 0.01680 0.04810 0.04330 0.00780 -0.00060 -0.00160 O6 0.04180 0.03220 0.05340 -0.00080 -0.01220 0.00860 O7 0.03610 0.02680 0.01670 0.01320 0.00390 -0.00290 O8 0.03620 0.03350 0.03430 0.00860 0.00740 0.00900 O9 0.01540 0.02770 0.03220 0.00200 0.00070 0.00230 O10 0.01490 0.02070 0.05060 0.00390 -0.00070 0.00550 O11 0.02160 0.01320 0.03920 -0.00060 0.00620 -0.00010 O12 0.13350 0.03380 0.02140 -0.00910 0.02710 -0.00100 O13 0.03660 0.02550 0.05820 -0.00360 -0.02580 0.00940 O14 0.04240 0.08950 0.04760 -0.01920 0.00530 0.03480