data_global _chemical_name_mineral 'Albite' loop_ _publ_author_name 'Harlow G E' _journal_name_full 'American Mineralogist' _journal_volume 67 _journal_year 1982 _journal_page_first 975 _journal_page_last 996 _publ_section_title ; The anorthoclase structures: The effects of temperature and composition Note: Or = 13.8, T = 23 C ; _database_code_amcsd 0019656 _chemical_compound_source 'Kakanui, New Zealand' _chemical_formula_sum 'Na.856 K.141 Ca.026 (Al Si3) O8' _cell_length_a 8.2168 _cell_length_b 12.9166 _cell_length_c 7.1270 _cell_angle_alpha 92.754 _cell_angle_beta 116.357 _cell_angle_gamma 90.239 _cell_volume 676.721 _exptl_crystal_density_diffrn 2.606 _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 Na 0.27430 0.00510 0.13500 0.85600 K 0.27430 0.00510 0.13500 0.14100 Ca 0.27430 0.00510 0.13500 0.02600 Al1 0.00870 0.16860 0.21680 0.25000 Si1 0.00870 0.16860 0.21680 0.75000 Al2 0.00540 0.81530 0.22750 0.25000 Si2 0.00540 0.81530 0.22750 0.75000 Al3 0.69230 0.10990 0.32560 0.25000 Si3 0.69230 0.10990 0.32560 0.75000 Al4 0.68860 0.87890 0.35140 0.25000 Si4 0.68860 0.87890 0.35140 0.75000 O1 0.00450 0.13690 0.98810 1.00000 O2 0.59690 0.99250 0.28180 1.00000 O3 0.82200 0.11450 0.20510 1.00000 O4 0.82030 0.84990 0.24220 1.00000 O5 0.01880 0.29400 0.27240 1.00000 O6 0.02250 0.68820 0.22670 1.00000 O7 0.19320 0.11460 0.39110 1.00000 O8 0.18820 0.86850 0.42320 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 Na -0.00439 0.09690 0.04675 0.00240 -0.00499 -0.05999 K -0.00439 0.09690 0.04675 0.00240 -0.00499 -0.05999 Ca -0.00439 0.09690 0.04675 0.00240 -0.00499 -0.05999 Al1 0.01290 0.01601 0.01504 -0.00240 0.00689 -0.00167 Si1 0.01290 0.01601 0.01504 -0.00240 0.00689 -0.00167 Al2 0.01207 0.01517 0.01401 0.00144 0.00642 -0.00083 Si2 0.01207 0.01517 0.01401 0.00144 0.00642 -0.00083 Al3 0.01207 0.01180 0.01689 -0.00096 0.00594 -0.00083 Si3 0.01207 0.01180 0.01689 -0.00096 0.00594 -0.00083 Al4 0.01235 0.01264 0.01710 0.00000 0.00666 -0.00083 Si4 0.01235 0.01264 0.01710 0.00000 0.00666 -0.00083 O1 0.03101 0.02781 0.02410 0.00000 0.01498 -0.00125 O2 0.02058 0.01938 0.02430 -0.00144 0.00808 0.00167 O3 0.02470 0.03033 0.03378 -0.00481 0.01759 -0.00167 O4 0.02223 0.03792 0.03481 0.00289 0.01712 -0.00417 O5 0.02113 0.02022 0.03254 -0.00289 0.01189 -0.00375 O6 0.02113 0.02275 0.02204 0.00289 0.00499 0.00125 O7 0.02195 0.02443 0.02101 0.00192 0.00475 0.00167 O8 0.02085 0.02865 0.02245 -0.00192 0.00262 0.00625