data_global _chemical_name_mineral 'Albite' loop_ _publ_author_name 'Gualtieri A F' _journal_name_full 'Journal of Applied Crystallography' _journal_volume 33 _journal_year 2000 _journal_page_first 267 _journal_page_last 278 _publ_section_title ; Accuracy of XRPD QPA using the combined Rietveld-RIR method ; _database_code_amcsd 0012863 _chemical_compound_source 'Baveno, Novara, Italy' _chemical_formula_sum '(Na.98 Ca.02) (Si2.98 Al1.02) O8' _cell_length_a 8.14588 _cell_length_b 12.7973 _cell_length_c 7.15775 _cell_angle_alpha 94.2451 _cell_angle_beta 116.600 _cell_angle_gamma 87.800 _cell_volume 665.342 _exptl_crystal_density_diffrn 2.621 _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 _atom_site_U_iso_or_equiv Na 0.27910 -0.01260 0.17940 0.98000 0.09600 Ca 0.27910 -0.01260 0.17940 0.02000 0.09600 Si1 0.01320 0.16570 0.21130 0.74500 0.05400 Al1 0.01320 0.16570 0.21130 0.25500 0.05400 Si2 0.01000 0.82030 0.24040 0.74500 0.04900 Al2 0.01000 0.82030 0.24040 0.25500 0.04900 Si3 0.68570 0.11100 0.31610 0.74500 0.06600 Al3 0.68570 0.11100 0.31610 0.25500 0.06600 Si4 0.68020 0.88440 0.35980 0.74500 0.04400 Al4 0.68020 0.88440 0.35980 0.25500 0.04400 O1 -0.00440 0.13540 0.96300 1.00000 0.07300 O2 0.58480 0.99470 0.25630 1.00000 0.04200 O3 0.81880 0.11010 0.20140 1.00000 0.07100 O4 0.81660 0.84490 0.25520 1.00000 0.01500 O5 0.01120 0.69050 0.22090 1.00000 0.03700 O6 0.20430 0.11110 0.38560 1.00000 0.02200 O7 0.18620 0.87020 0.42970 1.00000 0.02700 O8 0.00690 0.30080 0.26190 1.00000 0.05200