data_global _chemical_name_mineral 'Anorthite' loop_ _publ_author_name 'Wenk H R' 'Joswig W' 'Tagai T' 'Korekawa M' 'Smith B K' _journal_name_full 'American Mineralogist' _journal_volume 65 _journal_year 1980 _journal_page_first 81 _journal_page_last 95 _publ_section_title ; The average structure of An 62-66 labradorite Note: studied with X-rays ; _database_code_amcsd 0019664 _chemical_compound_source 'Lake County, Oregon, USA' _chemical_formula_sum 'Ca.317 Na.183 Si1.174 Al.824 O4' _cell_length_a 8.1747 _cell_length_b 12.8706 _cell_length_c 7.1014 _cell_angle_alpha 93.461 _cell_angle_beta 116.086 _cell_angle_gamma 90.514 _cell_volume 669.302 _exptl_crystal_density_diffrn 2.702 _symmetry_space_group_name_H-M 'C -1' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,z' '-x,-y,-z' '1/2-x,1/2-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ca1 0.26630 0.98340 0.16870 0.31700 Na1 0.26630 0.98340 0.16870 0.18300 Ca2 0.27090 0.03000 0.09700 0.31700 Na2 0.27090 0.03000 0.09700 0.18300 Si1 0.00588 0.16271 0.21481 0.58700 Al1 0.00588 0.16271 0.21481 0.41200 Si2 0.00275 0.81645 0.23109 0.58700 Al2 0.00275 0.81645 0.23109 0.41200 Si3 0.68425 0.10878 0.31709 0.58700 Al3 0.68425 0.10878 0.31709 0.41200 Si4 0.68086 0.87873 0.35765 0.58700 Al4 0.68086 0.87873 0.35165 0.41200 Oa1 0.00270 0.12810 0.97960 1.00000 Oa2 0.57870 0.99130 0.27770 1.00000 Obo 0.81210 0.10330 0.18790 1.00000 Obm 0.81520 0.85400 0.24350 1.00000 Oco 0.01410 0.28920 0.28300 1.00000 Ocm 0.01150 0.68660 0.21180 1.00000 Odo 0.19760 0.10650 0.38160 1.00000 Odm 0.19060 0.86570 0.43070 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 Ca1 0.01306 0.05518 0.02071 -0.00940 0.00880 -0.01849 Na1 0.01306 0.05518 0.02071 -0.00940 0.00880 -0.01849 Ca2 0.01183 0.02822 0.01968 0.00549 0.00201 -0.00914 Na2 0.01183 0.02822 0.01968 0.00549 0.00201 -0.00914 Si1 0.01175 0.01369 0.01021 -0.00205 0.00411 0.00145 Al1 0.01175 0.01369 0.01021 -0.00205 0.00411 0.00145 Si2 0.00995 0.01160 0.00675 0.00339 0.00286 0.00012 Al2 0.00995 0.01160 0.00675 0.00339 0.00286 0.00012 Si3 0.00902 0.00893 0.01007 0.00076 0.00284 0.00000 Al3 0.00902 0.00893 0.01007 0.00076 0.00284 0.00000 Si4 0.00902 0.00943 0.01042 0.00024 0.00298 0.00203 Al4 0.00902 0.00943 0.01042 0.00024 0.00298 0.00203 Oa1 0.03051 0.02413 0.01322 0.00415 0.01303 0.00364 Oa2 0.01350 0.01319 0.01618 0.00048 0.00435 0.00248 Obo 0.02326 0.01778 0.02708 -0.00305 0.01333 -0.00194 Obm 0.02367 0.02454 0.04445 0.00258 0.01757 -0.00443 Oco 0.01857 0.02338 0.02417 -0.00358 0.00875 0.00331 Ocm 0.01791 0.02246 0.01804 0.00558 0.00376 -0.00319 Odo 0.01988 0.01928 0.01546 0.00129 0.00137 0.00178 Odm 0.02209 0.02513 0.02046 0.00334 -0.00130 -0.00327