data_global _chemical_name_mineral 'Albite' loop_ _publ_author_name 'Smith J V' 'Artioli G' _journal_name_full 'American Mineralogist' _journal_volume 71 _journal_year 1986 _journal_page_first 727 _journal_page_last 733 _publ_section_title ; Low albite, NaAlSi3O8: Neutron diffraction study of crystal structure at 13 K Note: T = 13 K ; _database_code_amcsd 0001015 _chemical_compound_source 'Amelia, Virginia, USA' _chemical_formula_sum 'Al Si3 Na O8' _cell_length_a 8.1151 _cell_length_b 12.7621 _cell_length_c 7.1576 _cell_angle_alpha 94.218 _cell_angle_beta 116.803 _cell_angle_gamma 87.707 _cell_volume 659.829 _exptl_crystal_density_diffrn 2.640 _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 Al1o 0.00896 0.16774 0.20773 Si1m 0.00359 0.82131 0.23701 Si2o 0.69041 0.10996 0.31323 Si2m 0.67890 0.88190 0.35960 Na 0.26470 0.98952 0.14441 OA1 0.00565 0.12907 0.96644 OA2 0.58864 0.99755 0.27889 OBo 0.81264 0.10794 0.19019 OBm 0.81931 0.85141 0.25924 OCo 0.01020 0.30192 0.26814 OCm 0.02294 0.69437 0.22592 ODo 0.21013 0.10901 0.38942 ODm 0.18503 0.86821 0.43708 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 Al1o 0.00260 0.00295 0.00225 -0.00042 0.00115 0.00033 Si1m 0.00223 0.00312 0.00194 0.00014 0.00101 0.00041 Si2o 0.00213 0.00271 0.00233 -0.00005 0.00094 0.00045 Si2m 0.00231 0.00312 0.00231 0.00000 0.00101 0.00049 Na 0.00431 0.00968 0.00659 -0.00056 0.00232 -0.00218 OA1 0.00540 0.00517 0.00284 -0.00009 0.00227 0.00095 OA2 0.00332 0.00320 0.00430 -0.00023 0.00138 0.00082 OBo 0.00417 0.00574 0.00523 -0.00107 0.00314 0.00016 OBm 0.00425 0.00665 0.00645 0.00084 0.00377 0.00053 OCo 0.00369 0.00377 0.00525 -0.00089 0.00185 -0.00008 OCm 0.00391 0.00353 0.00484 0.00084 0.00138 0.00074 ODo 0.00420 0.00583 0.00284 0.00056 0.00070 0.00082 ODm 0.00417 0.00591 0.00284 -0.00093 0.00019 -0.00012