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: untreated DISS3 ; _database_code_amcsd 0003995 _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 8.959 _cell_length_b 5.7226 _cell_length_c 10.232 _cell_angle_alpha 90 _cell_angle_beta 115.19 _cell_angle_gamma 90 _cell_volume 474.695 _exptl_crystal_density_diffrn 3.857 _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 0.75710 0.75000 0.15068 0.79200 0.02050 ThA1 0.75710 0.75000 0.15068 0.09000 0.02050 FeA1 0.75710 0.75000 0.15068 0.05300 0.02050 LaA1 0.75710 0.75000 0.15068 0.05000 0.02050 MnA1 0.75710 0.75000 0.15068 0.00900 0.02050 UA1 0.75710 0.75000 0.15068 0.00300 0.02050 NaA1 0.75710 0.75000 0.15068 0.00200 0.02050 ErA1 0.75710 0.75000 0.15068 0.00100 0.02050 CaA2 0.59801 0.75000 0.42706 0.40300 0.02130 LaA2 0.59801 0.75000 0.42706 0.26500 0.02130 CeA2 0.59801 0.75000 0.42706 0.26200 0.02130 NdA2 0.59801 0.75000 0.42706 0.03800 0.02130 PrA2 0.59801 0.75000 0.42706 0.01900 0.02130 SrA2 0.59801 0.75000 0.42706 0.01000 0.02130 SmA2 0.59801 0.75000 0.42706 0.00200 0.02130 GdA2 0.59801 0.75000 0.42706 0.00100 0.02130 AlM1 0.00000 0.00000 0.00000 0.81300 0.01320 CrM1 0.00000 0.00000 0.00000 0.14800 0.01320 TiM1 0.00000 0.00000 0.00000 0.03000 0.01320 VM1 0.00000 0.00000 0.00000 0.00800 0.01320 ScM1 0.00000 0.00000 0.00000 0.00200 0.01320 GaM1 0.00000 0.00000 0.00000 0.00100 0.01320 AlM2 0.00000 0.00000 0.50000 0.94800 0.01110 FeM2 0.00000 0.00000 0.50000 0.05200 0.01110 MgM3 0.29890 0.25000 0.21780 0.62200 0.01770 FeM3 0.29890 0.25000 0.21780 0.29900 0.01770 AlM3 0.29890 0.25000 0.21780 0.05400 0.01770 ZnM3 0.29890 0.25000 0.21780 0.01500 0.01770 NiM3 0.29890 0.25000 0.21780 0.01000 0.01770 Si1 0.33760 0.75000 0.04030 0.99000 0.01130 Al1 0.33760 0.75000 0.04030 0.00700 0.01130 P1 0.33760 0.75000 0.04030 0.00300 0.01130 Si2 0.68430 0.25000 0.27640 0.99000 0.01310 Al2 0.68430 0.25000 0.27640 0.00700 0.01310 P2 0.68430 0.25000 0.27640 0.00300 0.01310 Si3 0.18590 0.75000 0.32030 0.99000 0.01050 Al3 0.18590 0.75000 0.32030 0.00700 0.01050 P3 0.18590 0.75000 0.32030 0.00300 0.01050 O1 0.23340 0.99100 0.03220 1.00000 0.02010 O2 0.30840 0.97710 0.35960 1.00000 0.01930 O3 0.79350 0.01440 0.33730 1.00000 0.02290 O4 0.05600 0.25000 0.12920 1.00000 0.01590 O5 0.04560 0.75000 0.14750 1.00000 0.01400 O6 0.06840 0.75000 0.40840 1.00000 0.01660 O7 0.51100 0.75000 0.17800 1.00000 0.02220 O8 0.53310 0.25000 0.31890 1.00000 0.03640 O9 0.61880 0.25000 0.10060 1.00000 0.03140 O10 0.08430 0.25000 0.43060 1.00000 0.01780 H 0.15900 0.25000 0.30500 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 0.03020 0.01717 0.02021 0.00000 0.01661 0.00000 ThA1 0.03020 0.01717 0.02021 0.00000 0.01661 0.00000 FeA1 0.03020 0.01717 0.02021 0.00000 0.01661 0.00000 LaA1 0.03020 0.01717 0.02021 0.00000 0.01661 0.00000 MnA1 0.03020 0.01717 0.02021 0.00000 0.01661 0.00000 UA1 0.03020 0.01717 0.02021 0.00000 0.01661 0.00000 NaA1 0.03020 0.01717 0.02021 0.00000 0.01661 0.00000 ErA1 0.03020 0.01717 0.02021 0.00000 0.01661 0.00000 CaA2 0.01874 0.02646 0.01607 0.00000 0.00485 0.00000 LaA2 0.01874 0.02646 0.01607 0.00000 0.00485 0.00000 CeA2 0.01874 0.02646 0.01607 0.00000 0.00485 0.00000 NdA2 0.01874 0.02646 0.01607 0.00000 0.00485 0.00000 PrA2 0.01874 0.02646 0.01607 0.00000 0.00485 0.00000 SrA2 0.01874 0.02646 0.01607 0.00000 0.00485 0.00000 SmA2 0.01874 0.02646 0.01607 0.00000 0.00485 0.00000 GdA2 0.01874 0.02646 0.01607 0.00000 0.00485 0.00000 AlM1 0.01332 0.01055 0.01394 -0.00040 0.00402 -0.00019 CrM1 0.01332 0.01055 0.01394 -0.00040 0.00402 -0.00019 TiM1 0.01332 0.01055 0.01394 -0.00040 0.00402 -0.00019 VM1 0.01332 0.01055 0.01394 -0.00040 0.00402 -0.00019 ScM1 0.01332 0.01055 0.01394 -0.00040 0.00402 -0.00019 GaM1 0.01332 0.01055 0.01394 -0.00040 0.00402 -0.00019 AlM2 0.01097 0.00956 0.01204 0.00022 0.00428 -0.00081 FeM2 0.01097 0.00956 0.01204 0.00022 0.00428 -0.00081 MgM3 0.01641 0.01337 0.01556 0.00000 -0.00068 0.00000 FeM3 0.01641 0.01337 0.01556 0.00000 -0.00068 0.00000 AlM3 0.01641 0.01337 0.01556 0.00000 -0.00068 0.00000 ZnM3 0.01641 0.01337 0.01556 0.00000 -0.00068 0.00000 NiM3 0.01641 0.01337 0.01556 0.00000 -0.00068 0.00000 Si1 0.01169 0.01020 0.01094 0.00000 0.00378 0.00000 Al1 0.01169 0.01020 0.01094 0.00000 0.00378 0.00000 P1 0.01169 0.01020 0.01094 0.00000 0.00378 0.00000 Si2 0.01419 0.01087 0.01413 0.00000 0.00603 0.00000 Al2 0.01419 0.01087 0.01413 0.00000 0.00603 0.00000 P2 0.01419 0.01087 0.01413 0.00000 0.00603 0.00000 Si3 0.00982 0.01227 0.01024 0.00000 0.00518 0.00000 Al3 0.00982 0.01227 0.01024 0.00000 0.00518 0.00000 P3 0.00982 0.01227 0.01024 0.00000 0.00518 0.00000 O1 0.01485 0.01519 0.03112 0.00298 0.01072 0.00404 O2 0.02070 0.02209 0.01697 -0.00789 0.00972 -0.00410 O3 0.02259 0.01304 0.02262 0.00164 -0.00036 -0.00212 O4 0.01544 0.01516 0.01551 0.00000 0.00497 0.00000 O5 0.01496 0.01661 0.00959 0.00000 0.00433 0.00000 O6 0.02150 0.01537 0.01895 0.00000 0.01438 0.00000 O7 0.01817 0.02273 0.01650 0.00000 -0.00136 0.00000 O8 0.03153 0.04471 0.04224 0.00000 0.02456 0.00000 O9 0.03736 0.04419 0.01715 0.00000 0.01596 0.00000 O10 0.01781 0.01461 0.02443 0.00000 0.01245 0.00000