data_global _chemical_name_mineral 'Terranovaite' loop_ _publ_author_name 'Galli E' 'Quartieri S' 'Vezzalini G' 'Alberti A' 'Franzini M' _journal_name_full 'American Mineralogist' _journal_volume 82 _journal_year 1997 _journal_page_first 423 _journal_page_last 429 _publ_section_title ; Terranovaite from Antarctica: A new 'pentasil' zeolite ; _database_code_amcsd 0001886 _chemical_formula_sum '(Si17 Al3) O50.72 Na1.48 Ca1.48 H21.44' _cell_length_a 9.747 _cell_length_b 23.880 _cell_length_c 20.068 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 4670.995 _exptl_crystal_density_diffrn 2.111 _symmetry_space_group_name_H-M 'C m c m' loop_ _space_group_symop_operation_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' '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 Si1 0.00000 0.45240 0.32810 0.85000 0.01279 Al1 0.00000 0.45240 0.32810 0.15000 0.01279 Si2 0.00000 0.54400 0.43960 0.85000 0.01494 Al2 0.00000 0.54400 0.43960 0.15000 0.01494 Si3 0.79190 0.36040 0.37280 0.85000 0.01621 Al3 0.79190 0.36040 0.37280 0.15000 0.01621 Si4 0.79170 0.63920 0.46940 0.85000 0.01431 Al4 0.79170 0.63920 0.46940 0.15000 0.01431 Si5 0.00000 0.18060 0.44140 0.85000 0.01355 Al5 0.00000 0.18060 0.44140 0.15000 0.01355 Si6 0.00000 0.73210 0.43650 0.85000 0.01279 Al6 0.00000 0.73210 0.43650 0.15000 0.01279 Si7 0.00000 0.26970 0.32720 0.85000 0.01456 Al7 0.00000 0.26970 0.32720 0.15000 0.01456 Si8 0.00000 0.82520 0.32890 0.85000 0.01292 Al8 0.00000 0.82520 0.32890 0.15000 0.01292 O1 0.00000 0.46920 0.25000 1.00000 0.04319 O2 0.00000 0.51130 0.36790 1.00000 0.05028 O3 0.13670 0.41600 0.34530 1.00000 0.04737 O4 0.00000 0.50000 0.50000 1.00000 0.07168 O5 0.86300 0.58360 0.44150 1.00000 0.05028 O6 0.19580 0.36830 0.45120 1.00000 0.06383 O7 0.63250 0.36230 0.34880 1.00000 0.04002 O8 0.86610 0.30570 0.34150 1.00000 0.04395 O9 0.36630 0.63740 0.44530 1.00000 0.02964 O10 0.86550 0.69320 0.43770 1.00000 0.03838 O11 0.00000 0.21240 0.36850 1.00000 0.03711 O12 0.00000 0.77510 0.49700 1.00000 0.03914 O13 0.00000 0.76480 0.36560 1.00000 0.03027 O14 0.00000 0.25150 0.25000 1.00000 0.04154 O15 0.00000 0.81230 0.25000 1.00000 0.05079 Na1 0.00000 0.04580 0.44420 0.05000 0.00887 Ca1 0.00000 0.04580 0.44420 0.05000 0.00887 Wat1 0.00000 0.04580 0.44420 0.37000 0.00887 Na2 0.00000 0.04030 0.25000 0.08000 0.02026 Ca2 0.00000 0.04030 0.25000 0.08000 0.02026 Wat2 0.00000 0.04030 0.25000 0.56000 0.02026 Na3 0.35780 0.46030 0.25000 0.11000 0.11652 Ca3 0.35780 0.46030 0.25000 0.11000 0.11652 Wat3 0.35780 0.46030 0.25000 0.76000 0.11652 Na4 0.14570 0.03990 0.34950 0.08000 0.12032 Ca4 0.14570 0.03990 0.34950 0.08000 0.12032 Wat4 0.14570 0.03990 0.34950 0.58000 0.12032 Na5 0.00000 0.69820 0.25000 0.06000 0.12032 Ca5 0.00000 0.69820 0.25000 0.06000 0.12032 Wat5 0.00000 0.69820 0.25000 0.44000 0.12032 Na6 0.00000 0.95090 0.44050 0.06000 0.12032 Ca6 0.00000 0.95090 0.44050 0.06000 0.12032 Wat6 0.00000 0.95090 0.44050 0.44000 0.12032 Na7 0.90890 0.12880 0.25000 0.06000 0.12032 Ca7 0.90890 0.12880 0.25000 0.06000 0.12032 Wat7 0.90890 0.12880 0.25000 0.44000 0.12032 Na8 0.35190 0.48040 0.45980 0.04000 0.10385 Ca8 0.35190 0.48040 0.45980 0.04000 0.10385 Wat8 0.35190 0.48040 0.45980 0.29000 0.10385 Na9 0.00000 0.96510 0.35470 0.03000 0.05193 Ca9 0.00000 0.96510 0.35470 0.03000 0.05193 Wat9 0.00000 0.96510 0.35470 0.20000 0.05193 Na10 0.00000 0.59720 0.25000 0.06000 0.14945 Ca10 0.00000 0.59720 0.25000 0.06000 0.14945 Wat10 0.00000 0.59720 0.25000 0.44000 0.14945 Na11 0.30560 0.19830 0.25000 0.05000 0.12032 Ca11 0.30560 0.19830 0.25000 0.05000 0.12032 Wat11 0.30560 0.19830 0.25000 0.37000 0.12032 Na12 0.19010 0.08150 0.19070 0.02000 0.11019 Ca12 0.19010 0.08150 0.19070 0.02000 0.11019 Wat12 0.19010 0.08150 0.19070 0.16000 0.11019