data_global _chemical_name_mineral 'Natrolite' loop_ _publ_author_name 'Alberti A' 'Cruciani G' 'Dauru I' _journal_name_full 'European Journal of Mineralogy' _journal_volume 7 _journal_year 1995 _journal_page_first 501 _journal_page_last 508 _publ_section_title ; Order-disorder in natrolite-group minerals ; _database_code_amcsd 0006590 _chemical_formula_sum 'Na2 (Si3.073 Al1.927) O12 H4' _cell_length_a 18.347 _cell_length_b 18.561 _cell_length_c 6.587 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 2243.128 _exptl_crystal_density_diffrn 2.252 _symmetry_space_group_name_H-M 'F d d 2' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,1/2+y,1/2+z' '1/2+x,y,1/2+z' '1/2+x,1/2+y,z' '1/4+x,1/4-y,1/4+z' '1/4+x,3/4-y,3/4+z' '3/4+x,1/4-y,3/4+z' '3/4+x,3/4-y,1/4+z' '1/4-x,1/4+y,1/4+z' '1/4-x,3/4+y,3/4+z' '3/4-x,1/4+y,3/4+z' '3/4-x,3/4+y,1/4+z' '-x,1/2-y,1/2+z' '-x,-y,+z' '1/2-x,1/2-y,+z' '1/2-x,-y,1/2+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 0.22080 0.03010 0.62090 1.00000 0.01545 Si1 0.00000 0.00000 0.00000 0.76500 0.00773 Al1 0.00000 0.00000 0.00000 0.23500 0.00773 Si2 0.15420 0.21130 0.62510 0.81500 0.00659 Al2 0.15420 0.21130 0.62510 0.18500 0.00659 Al 0.03780 0.09400 0.61790 0.66100 0.00684 Si 0.03780 0.09400 0.61790 0.33900 0.00684 O1 0.02290 0.06930 0.86400 1.00000 0.01621 O2 0.07040 0.18040 0.61690 1.00000 0.01001 O3 0.09810 0.03620 0.50620 1.00000 0.01431 O4 0.20880 0.15290 0.73060 1.00000 0.01418 O5 0.17970 0.22740 0.39200 1.00000 0.01735 OW 0.05700 0.19100 0.11800 1.00000 0.02558 H1 0.05800 0.15600 0.07800 1.00000 0.02153 H2 0.09500 0.19000 0.19100 1.00000 0.00887 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 0.01620 0.01660 0.02070 -0.00210 -0.00270 -0.00230 Si1 0.00880 0.00890 0.00550 0.00000 0.00000 0.00000 Al1 0.00880 0.00890 0.00550 0.00000 0.00000 0.00000 Si2 0.00600 0.00780 0.00700 -0.00050 0.00000 -0.00060 Al2 0.00600 0.00780 0.00700 -0.00050 0.00000 -0.00060 Al 0.00840 0.00630 0.00710 -0.00030 -0.00040 -0.00060 Si 0.00840 0.00630 0.00710 -0.00030 -0.00040 -0.00060 O1 0.02600 0.01200 0.01300 -0.00200 0.00100 0.00000 O2 0.00900 0.00900 0.01300 -0.00100 -0.00100 0.00000 O3 0.01200 0.01200 0.01800 0.00200 0.00100 -0.00400 O4 0.01400 0.01200 0.01500 0.00100 -0.00300 0.00100 O5 0.01400 0.02500 0.01200 -0.00200 0.00300 0.00000 OW 0.02500 0.02400 0.02500 0.00200 -0.00100 -0.00100