data_global _chemical_name_mineral 'Tschernichite' loop_ _publ_author_name 'Alberti A' 'Cruciani G' 'Galli E' 'Merlino S' 'Millini R' 'Quartieri S' 'Vezzalini G' 'Zanardi S' _journal_name_full 'Journal of Physical Chemistry' _journal_volume B106 _journal_year 2002 _journal_page_first 10277 _journal_page_last 10284 _publ_section_title ; Crystal structure of tetragonal and monoclinic polytypes of tschernichite, the natural counterpart of synthetic zeolite beta Locality: Mt. Adamson, Northern Victoria Land, Antarctica Sample: large crystal, monoclinic ; _chemical_formula_sum 'Na.09 K.023 Mg.023 Ca.592 (Si5.835 Al2.165) O20.64 H20' _cell_length_a 17.983 _cell_length_b 17.966 _cell_length_c 14.625 _cell_angle_alpha 90 _cell_angle_beta 114.31 _cell_angle_gamma 90 _cell_volume 4306.116 _exptl_crystal_density_diffrn 1.851 _symmetry_space_group_name_H-M 'C 1 2/c 1' loop_ _symmetry_equiv_pos_as_xyz 'x,y,z' '1/2+x,1/2+y,z' 'x,-y,1/2+z' '1/2+x,1/2-y,1/2+z' '-x,y,1/2-z' '1/2-x,1/2+y,1/2-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 0.14380 0.35760 0.00050 0.09000 0.03900 K1 0.14380 0.35760 0.00050 0.02300 0.03900 Mg1 0.14380 0.35760 0.00050 0.02300 0.03900 Ca1 0.14380 0.35760 0.00050 0.44000 0.03900 Ca2 0.30500 0.52100 -0.00400 0.07300 0.03000 Ca3 0.47400 0.69600 0.00400 0.07900 0.03000 Si1 0.17080 0.83340 0.88800 0.68000 0.01400 Al1 0.17080 0.83340 0.88800 0.32000 0.01400 Si2 0.20700 0.54370 0.11450 0.79000 0.01700 Al2 0.20700 0.54370 0.11450 0.21000 0.01700 Si3 0.19240 0.41850 0.25120 0.73000 0.01600 Al3 0.19240 0.41850 0.25120 0.27000 0.01600 Si4 0.39400 0.01860 0.61360 0.68000 0.01800 Al4 0.39400 0.01860 0.61360 0.32000 0.01800 Si5 0.52010 0.14500 0.61400 0.73000 0.01800 Al5 0.52010 0.14500 0.61400 0.27000 0.01800 Si6 0.50000 0.27430 0.75000 0.78000 0.01400 Al6 0.50000 0.27430 0.75000 0.22000 0.01400 Si7 0.29710 0.29260 0.38920 0.75000 0.01400 Al7 0.29710 0.29260 0.38920 0.25000 0.01400 Si8 0.41930 0.16930 0.38620 0.74000 0.01600 Al8 0.41930 0.16930 0.38620 0.26000 0.01600 Si9 0.50000 0.11160 0.25000 0.69000 0.01600 Al9 0.50000 0.11160 0.25000 0.31000 0.01600 O1 0.20770 0.91630 0.87530 1.00000 0.03200 O2 0.57840 0.33060 0.80140 1.00000 0.03400 O3 0.22460 0.76520 0.87380 1.00000 0.03300 O4 0.66810 0.33290 0.99960 1.00000 0.02700 O5 0.23370 0.48270 0.20400 1.00000 0.03200 O6 0.14510 0.60240 0.13240 1.00000 0.03900 O7 0.16500 0.50160 0.00760 1.00000 0.02600 O8 0.16720 0.45540 0.33590 1.00000 0.03900 O9 0.26550 0.35630 0.30290 1.00000 0.04100 O10 0.11530 0.38250 0.15920 1.00000 0.03700 O11 0.46290 0.08050 0.62520 1.00000 0.04700 O12 0.06370 0.56210 0.34190 1.00000 0.04500 O13 0.51060 0.22450 0.66390 1.00000 0.04100 O14 0.49870 0.16230 0.49440 1.00000 0.01800 O15 0.37480 0.25130 0.37790 1.00000 0.03200 O16 0.45060 0.16890 0.29590 1.00000 0.03000 Wat1 0.15600 0.22400 -0.11400 0.58000 0.12000 Wat2 0.11800 0.25400 -0.11100 0.45000 0.09000 Wat3 0.28600 0.34700 0.11700 0.41000 0.07000 Wat4 0.24200 0.37800 -0.10800 0.62000 0.11000 Wat5 0.39600 0.42700 0.12600 0.17000 0.18000 Wat6 0.47800 0.64100 -0.16500 0.26000 0.09000 Wat7 0.01300 0.14000 0.02500 0.56000 0.14000 Wat8 0.01100 0.02100 -0.01900 0.40000 0.04000 Wat9 0.14500 0.01100 0.00700 0.61000 0.14000 Wat10 0.09100 0.01100 0.19400 0.58000 0.14000