data_global _chemical_name_mineral 'Dissakisite-(La)' loop_ _publ_author_name 'Lavina B' 'Carbonin S' 'Russo U' 'Tumiati S' _journal_name_full 'American Mineralogist' _journal_volume 91 _journal_year 2006 _journal_page_first 104 _journal_page_last 110 _publ_section_title ; The crystal structure of dissakisite-(La) and structural variations after annealing of radiation damage Sample: DISS3 annealed 700 C for 18 (3+15) hours ; _database_code_amcsd 0003997 _chemical_formula_sum 'Ca1.195 Th.09 Fe.404 La.315 Mn.009 U.003 Na.002 Er.001 Ce.262 Nd.038 Pr.019 Sr.01 Sm.002 Gd.001 Al1.836 Cr.148 Ti.03 V.008 Sc.002 Ga.001 Mg.622 Zn.015 Ni.01 Si2.97 P.009 O13 H' _cell_length_a 8.934 _cell_length_b 5.6939 _cell_length_c 10.180 _cell_angle_alpha 90 _cell_angle_beta 115.153 _cell_angle_gamma 90 _cell_volume 468.745 _exptl_crystal_density_diffrn 3.906 _symmetry_space_group_name_H-M 'P 1 21/m 1' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,1/2-y,z' '-x,1/2+y,-z' '-x,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy _atom_site_U_iso_or_equiv CaA1 0.75687 0.75000 0.15098 0.79200 0.01401 ThA1 0.75687 0.75000 0.15098 0.09000 0.01401 FeA1 0.75687 0.75000 0.15098 0.05300 0.01401 LaA1 0.75687 0.75000 0.15098 0.05000 0.01401 MnA1 0.75687 0.75000 0.15098 0.00900 0.01401 UA1 0.75687 0.75000 0.15098 0.00300 0.01401 NaA1 0.75687 0.75000 0.15098 0.00200 0.01401 ErA1 0.75687 0.75000 0.15098 0.00100 0.01401 CaA2 0.59811 0.75000 0.42772 0.40300 0.01472 LaA2 0.59811 0.75000 0.42772 0.26500 0.01472 CeA2 0.59811 0.75000 0.42772 0.26200 0.01472 NdA2 0.59811 0.75000 0.42772 0.03800 0.01472 PrA2 0.59811 0.75000 0.42772 0.01900 0.01472 SrA2 0.59811 0.75000 0.42772 0.01000 0.01472 SmA2 0.59811 0.75000 0.42772 0.00200 0.01472 GdA2 0.59811 0.75000 0.42772 0.00100 0.01472 AlM1 0.00000 0.00000 0.00000 0.81300 0.00884 CrM1 0.00000 0.00000 0.00000 0.14800 0.00884 TiM1 0.00000 0.00000 0.00000 0.03000 0.00884 VM1 0.00000 0.00000 0.00000 0.00800 0.00884 ScM1 0.00000 0.00000 0.00000 0.00200 0.00884 GaM1 0.00000 0.00000 0.00000 0.00100 0.00884 AlM2 0.00000 0.00000 0.50000 0.94800 0.00749 FeM2 0.00000 0.00000 0.50000 0.05200 0.00749 MgM3 0.29668 0.25000 0.21849 0.62200 0.01028 FeM3 0.29668 0.25000 0.21849 0.29900 0.01028 AlM3 0.29668 0.25000 0.21849 0.05400 0.01028 ZnM3 0.29668 0.25000 0.21849 0.01500 0.01028 NiM3 0.29668 0.25000 0.21849 0.01000 0.01028 Si1 0.33797 0.75000 0.04138 0.99000 0.00747 Al1 0.33797 0.75000 0.04138 0.00700 0.00747 P1 0.33797 0.75000 0.04138 0.00300 0.00747 Si2 0.68326 0.25000 0.27692 0.99000 0.00848 Al2 0.68326 0.25000 0.27692 0.00700 0.00848 P2 0.68326 0.25000 0.27692 0.00300 0.00848 Si3 0.18599 0.75000 0.32023 0.99000 0.00679 Al3 0.18599 0.75000 0.32023 0.00700 0.00679 P3 0.18599 0.75000 0.32023 0.00300 0.00679 O1 0.23425 0.99205 0.03383 1.00000 0.01396 O2 0.30827 0.97703 0.35893 1.00000 0.01365 O3 0.79292 0.01358 0.33810 1.00000 0.01601 O4 0.05402 0.25000 0.12943 1.00000 0.01100 O5 0.04522 0.75000 0.14761 1.00000 0.00944 O6 0.06646 0.75000 0.40680 1.00000 0.01226 O7 0.51249 0.75000 0.17820 1.00000 0.01590 O8 0.53169 0.25000 0.31990 1.00000 0.02821 O9 0.62027 0.25000 0.10062 1.00000 0.02606 O10 0.08357 0.25000 0.42827 1.00000 0.01198 H 0.15600 0.25000 0.30300 1.00000 0.05000 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 CaA1 0.02087 0.01221 0.01304 0.00000 0.01115 0.00000 ThA1 0.02087 0.01221 0.01304 0.00000 0.01115 0.00000 FeA1 0.02087 0.01221 0.01304 0.00000 0.01115 0.00000 LaA1 0.02087 0.01221 0.01304 0.00000 0.01115 0.00000 MnA1 0.02087 0.01221 0.01304 0.00000 0.01115 0.00000 UA1 0.02087 0.01221 0.01304 0.00000 0.01115 0.00000 NaA1 0.02087 0.01221 0.01304 0.00000 0.01115 0.00000 ErA1 0.02087 0.01221 0.01304 0.00000 0.01115 0.00000 CaA2 0.01262 0.01781 0.01125 0.00000 0.00270 0.00000 LaA2 0.01262 0.01781 0.01125 0.00000 0.00270 0.00000 CeA2 0.01262 0.01781 0.01125 0.00000 0.00270 0.00000 NdA2 0.01262 0.01781 0.01125 0.00000 0.00270 0.00000 PrA2 0.01262 0.01781 0.01125 0.00000 0.00270 0.00000 SrA2 0.01262 0.01781 0.01125 0.00000 0.00270 0.00000 SmA2 0.01262 0.01781 0.01125 0.00000 0.00270 0.00000 GdA2 0.01262 0.01781 0.01125 0.00000 0.00270 0.00000 AlM1 0.00830 0.00715 0.00886 -0.00025 0.00151 -0.00001 CrM1 0.00830 0.00715 0.00886 -0.00025 0.00151 -0.00001 TiM1 0.00830 0.00715 0.00886 -0.00025 0.00151 -0.00001 VM1 0.00830 0.00715 0.00886 -0.00025 0.00151 -0.00001 ScM1 0.00830 0.00715 0.00886 -0.00025 0.00151 -0.00001 GaM1 0.00830 0.00715 0.00886 -0.00025 0.00151 -0.00001 AlM2 0.00702 0.00599 0.00822 0.00004 0.00205 -0.00066 FeM2 0.00702 0.00599 0.00822 0.00004 0.00205 -0.00066 MgM3 0.00850 0.00770 0.00913 0.00000 -0.00156 0.00000 FeM3 0.00850 0.00770 0.00913 0.00000 -0.00156 0.00000 AlM3 0.00850 0.00770 0.00913 0.00000 -0.00156 0.00000 ZnM3 0.00850 0.00770 0.00913 0.00000 -0.00156 0.00000 NiM3 0.00850 0.00770 0.00913 0.00000 -0.00156 0.00000 Si1 0.00703 0.00667 0.00735 0.00000 0.00174 0.00000 Al1 0.00703 0.00667 0.00735 0.00000 0.00174 0.00000 P1 0.00703 0.00667 0.00735 0.00000 0.00174 0.00000 Si2 0.00924 0.00753 0.00885 0.00000 0.00402 0.00000 Al2 0.00924 0.00753 0.00885 0.00000 0.00402 0.00000 P2 0.00924 0.00753 0.00885 0.00000 0.00402 0.00000 Si3 0.00619 0.00818 0.00624 0.00000 0.00288 0.00000 Al3 0.00619 0.00818 0.00624 0.00000 0.00288 0.00000 P3 0.00619 0.00818 0.00624 0.00000 0.00288 0.00000 O1 0.01053 0.01019 0.02062 0.00192 0.00610 0.00234 O2 0.01400 0.01617 0.01158 -0.00561 0.00622 -0.00331 O3 0.01398 0.00825 0.01704 0.00079 -0.00185 -0.00114 O4 0.00917 0.01116 0.01107 0.00000 0.00275 0.00000 O5 0.00819 0.01072 0.00718 0.00000 0.00111 0.00000 O6 0.01447 0.01176 0.01507 0.00000 0.01064 0.00000 O7 0.01158 0.01717 0.01226 0.00000 -0.00139 0.00000 O8 0.02525 0.03662 0.03320 0.00000 0.02247 0.00000 O9 0.03107 0.03781 0.01264 0.00000 0.01249 0.00000 O10 0.01074 0.01186 0.01400 0.00000 0.00590 0.00000