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 = 32.5, T = 400 C ; _database_code_amcsd 0019653 _chemical_compound_source 'Grande Calderira, Azores' _chemical_formula_sum 'Na.686 K.334 Ca.008 (Al Si3) O8' _cell_length_a 8.3482 _cell_length_b 12.9800 _cell_length_c 7.1582 _cell_angle_alpha 90 _cell_angle_beta 116.109 _cell_angle_gamma 90 _cell_volume 696.510 _exptl_crystal_density_diffrn 2.559 _symmetry_space_group_name_H-M 'C 1 2/m 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' '-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 0.27960 0.00000 0.13660 0.68600 K 0.27960 0.00000 0.13660 0.33400 Ca 0.27960 0.00000 0.13660 0.00800 Al1 0.00910 0.17970 0.22380 0.25000 Si1 0.00910 0.17970 0.22380 0.75000 Al2 0.69850 0.11670 0.34310 0.25000 Si2 0.69850 0.11670 0.34310 0.75000 O1 0.00000 0.14080 0.00000 1.00000 O2 0.61570 0.00000 0.28840 1.00000 O3 0.82420 0.13730 0.22360 1.00000 O4 0.02750 0.30780 0.25440 1.00000 O5 0.18830 0.12480 0.40870 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 0.02705 0.09133 0.06991 0.00000 0.02124 0.00000 K 0.02705 0.09133 0.06991 0.00000 0.02124 0.00000 Ca 0.02705 0.09133 0.06991 0.00000 0.02124 0.00000 Al1 0.03843 0.02646 0.02219 -0.00394 0.01855 -0.00085 Si1 0.03843 0.02646 0.02219 -0.00394 0.01855 -0.00085 Al2 0.03758 0.02134 0.02595 -0.00099 0.01831 -0.00042 Si2 0.03758 0.02134 0.02595 -0.00099 0.01831 -0.00042 O1 0.06833 0.04182 0.02051 0.00000 0.02343 0.00000 O2 0.05409 0.02731 0.04061 0.00000 0.02173 0.00000 O3 0.05181 0.05463 0.06070 -0.00296 0.03881 0.00465 O4 0.05324 0.03158 0.05861 -0.00592 0.03320 -0.00592 O5 0.05409 0.03841 0.04375 0.00739 0.02002 0.00676