data_global _chemical_name_mineral 'Clinoptilolite-Na' loop_ _publ_author_name 'Alberti A' _journal_name_full 'Tschermaks Mineralogische und Petrographische Mitteilungen' _journal_volume 22 _journal_year 1975 _journal_page_first 25 _journal_page_last 37 _publ_section_title ; The crystal structure of two clinoptilolites ; _database_code_amcsd 0015652 _chemical_compound_source 'Alpe di Siusi, Italy' _chemical_formula_sum 'Na2.06 Si16.4 Al1.6 O47.56 H23.12' _cell_length_a 17.6410 _cell_length_b 18.0310 _cell_length_c 7.402 _cell_angle_alpha 90 _cell_angle_beta 116.43 _cell_angle_gamma 90 _cell_volume 2108.373 _exptl_crystal_density_diffrn 2.103 _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 Na1 0.14750 0.00000 0.66480 0.54000 ? Na2 0.04000 0.50000 0.22150 0.44000 ? Na3 0.00000 0.00000 0.00000 0.10000 0.36222 Si1 0.17890 0.17110 0.09610 1.00000 ? Si2 0.21430 0.41020 0.50390 0.60000 ? Al2 0.21430 0.41020 0.50390 0.40000 ? Si3 0.20760 0.19120 0.71440 1.00000 ? Si4 0.06560 0.30020 0.41300 1.00000 ? Si5 0.00000 0.21700 0.00000 1.00000 ? O1 0.20010 0.50000 0.46220 1.00000 ? O2 0.23070 0.12190 0.61310 1.00000 ? O3 0.18360 0.15680 0.88580 1.00000 ? O4 0.23420 0.10810 0.24950 1.00000 ? O5 0.00000 0.32590 0.50000 1.00000 ? O6 0.08080 0.16270 0.05860 1.00000 ? O7 0.12750 0.23490 0.54850 1.00000 ? O8 0.01150 0.26990 0.18510 1.00000 ? O9 0.21200 0.25230 0.18360 1.00000 ? O10 0.11720 0.37230 0.40670 1.00000 ? Wat1 0.23500 0.50000 0.02930 1.00000 0.03926 Wat2 0.08260 0.00000 0.83410 0.61000 0.25710 Wat3 0.07860 0.41650 0.96860 1.00000 0.11525 Wat4 0.00000 0.50000 0.50000 1.00000 0.08739 Wat5 0.01550 0.09620 0.45720 0.52000 0.26850 Wat6 0.08330 0.00000 0.25580 0.63000 0.12412 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 Na1 0.10746 0.04447 0.04986 0.00000 0.02546 0.00000 Na2 0.01391 0.03459 0.05030 0.00000 -0.01379 0.00000 Si1 0.00759 0.02141 0.01068 0.00144 0.00477 0.00182 Si2 0.01264 0.01482 0.01402 0.00000 0.00584 0.00061 Al2 0.01264 0.01482 0.01402 0.00000 0.00584 0.00061 Si3 0.01138 0.01812 0.01024 0.00144 0.00530 0.00061 Si4 0.00885 0.01976 0.01024 0.00000 0.00424 -0.00242 Si5 0.00885 0.01976 0.01046 0.00000 0.00371 0.00000 O1 0.03540 0.02635 0.02426 0.00000 0.00955 0.00000 O2 0.02781 0.03459 0.03205 -0.00289 0.02016 -0.01090 O3 0.04678 0.03294 0.02070 -0.00433 0.02493 -0.00121 O4 0.02781 0.02471 0.02404 0.00722 0.01008 0.00908 O5 0.03413 0.03459 0.03606 0.00000 0.02811 0.00000 O6 0.01138 0.02471 0.03272 0.00289 0.00955 0.00121 O7 0.02781 0.04282 0.03561 0.01443 0.00477 0.01453 O8 0.03161 0.04447 0.02204 0.00144 0.00849 -0.01271 O9 0.02023 0.02965 0.03183 -0.00866 0.00955 -0.00545 O10 0.02655 0.02471 0.03339 -0.00433 0.01432 -0.00242