data_global _chemical_name_mineral 'Labradorite' 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 Sissone x-ray feldspar ; _database_code_amcsd 0000762 _chemical_formula_sum 'Ca.34 Na.15 (Si1.17 Al.83) O4' _cell_length_a 8.152 _cell_length_b 12.834 _cell_length_c 7.079 _cell_angle_alpha 93.49 _cell_angle_beta 116.13 _cell_angle_gamma 90.4 _cell_volume 663.225 _exptl_crystal_density_diffrn 2.731 _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 0.26650 0.98350 0.16920 0.34000 Na1 0.26650 0.98350 0.16920 0.15000 Ca2 0.27010 0.03040 0.09560 0.34000 Na2 0.27010 0.03040 0.09560 0.15000 Si1 0.00546 0.16279 0.21484 0.58500 Al1 0.00546 0.16279 0.21484 0.41500 Si2 0.00267 0.81695 0.23107 0.58500 Al2 0.00267 0.81695 0.23107 0.41500 Si3 0.68370 0.10883 0.31609 0.58500 Al3 0.68370 0.10883 0.31609 0.41500 Si4 0.68035 0.87876 0.35693 0.58500 Al4 0.68035 0.87876 0.35693 0.41500 Oa1 0.00120 0.12740 0.97830 1.00000 Oa2 0.57770 0.99180 0.27650 1.00000 Obo 0.81000 0.10310 0.18510 1.00000 Obm 0.81400 0.85390 0.24100 1.00000 Oco 0.01410 0.28930 0.28210 1.00000 Ocm 0.01100 0.68640 0.21080 1.00000 Odo 0.19670 0.10640 0.37980 1.00000 Odm 0.19030 0.86620 0.43150 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 0.01165 0.06558 0.02301 -0.01138 0.01057 -0.02549 Na1 0.01165 0.06558 0.02301 -0.01138 0.01057 -0.02549 Ca2 0.00948 0.02217 0.01425 0.00493 0.00305 -0.00452 Na2 0.00948 0.02217 0.01425 0.00493 0.00305 -0.00452 Si1 0.01409 0.02067 0.00814 -0.00185 0.00446 0.00267 Al1 0.01409 0.02067 0.00814 -0.00185 0.00446 0.00267 Si2 0.01409 0.01959 0.00713 0.00598 0.00432 0.00132 Al2 0.01409 0.01959 0.00713 0.00598 0.00432 0.00132 Si3 0.00650 0.01021 0.00489 0.00261 0.00164 -0.00041 Al3 0.00650 0.01021 0.00489 0.00261 0.00164 -0.00041 Si4 0.01057 0.01586 0.00937 0.00161 0.00319 0.00391 Al4 0.01057 0.01586 0.00937 0.00161 0.00319 0.00802 Oa1 0.03550 0.03387 0.01018 0.00332 0.01315 0.00206 Oa2 0.01843 0.02283 0.01283 0.00095 0.00587 0.00247 Obo 0.02412 0.02989 0.02911 -0.00332 0.01362 -0.00082 Obm 0.02358 0.03238 0.04764 0.00379 0.01527 -0.00411 Oco 0.02059 0.03736 0.02077 -0.00190 0.00799 0.00658 Ocm 0.02276 0.03346 0.01425 0.00901 0.00094 -0.00576 Odo 0.02412 0.02723 0.01222 0.00000 0.00094 0.00041 Odm 0.02574 0.03404 0.01832 0.00711 -0.00094 -0.00288