data_global _chemical_name_mineral 'Heulandite' loop_ _publ_author_name 'Wust T' 'Stolz J' 'Armbruster T' _journal_name_full 'American Mineralogist' _journal_volume 84 _journal_year 1999 _journal_page_first 1126 _journal_page_last 1134 _publ_section_title ; Partially dealuminated heulandite produced by acidic REECl3 solution: A chemical and single-crystal X-ray study Sample: REE100 Tetrahedral sites were refined as Si ; _database_code_amcsd 0002252 _chemical_formula_sum 'Si9 Al.302 Na.38 O24.46 H12.92' _cell_length_a 17.611 _cell_length_b 17.933 _cell_length_c 7.398 _cell_angle_alpha 90 _cell_angle_beta 116.29 _cell_angle_gamma 90 _cell_volume 2094.751 _exptl_crystal_density_diffrn 2.137 _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 _atom_site_U_iso_or_equiv Si1 0.17760 0.33000 0.09260 1.00000 ? Si2 0.28447 0.41110 0.49040 1.00000 ? Si3 0.29189 0.19069 0.28540 1.00000 ? Si4 0.43213 0.29855 0.57940 1.00000 ? Si5 0.00000 0.27754 0.00000 1.00000 ? Al1 0.00000 0.42250 0.00000 0.11900 0.02026 Al2 0.48900 0.00000 0.55000 0.10900 0.02786 Al3 0.20300 0.50000 0.20000 0.07400 0.02786 Nab 0.46600 0.50000 0.76700 0.38000 0.12792 O1 0.29880 0.50000 0.52800 1.00000 ? O2 0.26520 0.12180 0.38460 1.00000 ? O3 0.18630 0.34470 -0.11260 1.00000 ? O4 0.22670 0.39710 0.24600 1.00000 ? O5 0.50000 0.32270 0.50000 1.00000 ? O6 0.07890 0.33360 0.04510 1.00000 ? O7 0.37600 0.22980 0.45350 1.00000 ? O8 0.48390 0.27520 0.81180 1.00000 ? O9 0.21530 0.24980 0.18910 1.00000 ? O10 0.37670 0.37100 0.56300 1.00000 ? WatA1 0.37300 0.00000 0.36900 0.56000 0.10259 WatA2 0.44400 0.00000 0.62000 0.15000 0.19998 WatA3 0.40000 0.00000 0.24200 0.43000 0.19998 WatA4 0.39500 0.00000 0.06700 0.15000 0.05573 WatA5 0.44000 0.00000 0.81200 0.49000 0.16085 WatA6 0.56300 0.00000 0.02500 0.41000 0.15831 WatA8 0.49600 0.09100 0.59100 0.35000 0.13197 WatA9 0.47600 0.07600 0.71600 0.16000 0.05953 WatB1 0.39500 0.41100 0.10500 0.31000 0.16465 WatBb 0.43300 0.43000 0.00600 0.46000 0.19998 WatB2 0.51100 0.50000 0.56100 0.55000 0.12792 WatB3 0.40900 0.50000 0.07600 0.12000 0.02913 WatC2 0.21500 0.00000 -0.00800 0.65000 0.10132 WatC3 0.25800 0.00000 0.08500 0.39000 0.03800 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 Si1 0.01350 0.02770 0.01600 0.00060 0.00800 -0.00080 Si2 0.02450 0.02110 0.02440 -0.00110 0.01340 -0.00100 Si3 0.01960 0.02290 0.01470 -0.00110 0.00950 0.00030 Si4 0.01580 0.02940 0.01670 0.00050 0.00750 0.00030 Si5 0.01440 0.03490 0.01660 0.00000 0.00600 0.00000 O1 0.05000 0.02200 0.04400 0.00000 0.02200 0.00000 O2 0.05700 0.03900 0.04800 0.00100 0.04000 0.01000 O3 0.06000 0.04900 0.03100 0.00500 0.03400 0.00100 O4 0.04800 0.04100 0.02600 -0.01200 0.01000 -0.00900 O5 0.05300 0.06400 0.06300 0.00000 0.04900 0.00000 O6 0.01600 0.04100 0.05400 0.00100 0.01600 0.00900 O7 0.04600 0.05300 0.04300 -0.01700 0.00100 -0.01600 O8 0.04900 0.05800 0.02500 -0.00800 0.00800 0.01200 O9 0.02900 0.03300 0.04500 0.01000 0.02000 0.01100 O10 0.03100 0.04000 0.06900 0.01000 0.02100 0.00200