data_global _chemical_name_mineral 'Analcime' loop_ _publ_author_name 'Gatta G D' 'Nestola F' 'Ballaran T B' _journal_name_full 'American Mineralogist' _journal_volume 91 _journal_year 2006 _journal_page_first 568 _journal_page_last 578 _publ_section_title ; Elastic behavior, phase transition, and pressure induced structural evolution of analcime Sample: P = 1.23 GPa ; _database_code_amcsd 0004136 _chemical_compound_source 'Su Marralzu, Sardinia, Italy' _chemical_formula_sum 'Na1.71 (Si4.194 Al1.806) O14 H4' _cell_length_a 13.5574 _cell_length_b 13.5119 _cell_length_c 13.5082 _cell_angle_alpha 89.600 _cell_angle_beta 89.162 _cell_angle_gamma 90.798 _cell_volume 2473.948 _exptl_crystal_density_diffrn 2.330 _symmetry_space_group_name_H-M 'P -1' loop_ _space_group_symop_operation_xyz 'x,y,z' '-x,-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 0.63100 0.49900 0.72900 0.57000 0.04700 Na2 0.14500 0.96500 0.27400 0.57000 0.04700 Na3 0.86400 0.48400 0.22900 0.57000 0.04700 Na4 0.58800 0.99100 0.21300 0.57000 0.04700 Na5 0.73500 0.62500 0.49500 0.57000 0.04700 Na6 0.76700 0.84900 0.99700 0.57000 0.04700 Na7 0.26300 0.86000 0.50100 0.57000 0.04700 Na8 0.76300 0.35300 0.00200 0.57000 0.04700 Na9 0.48300 0.77100 0.61800 0.57000 0.04700 Na10 0.99600 0.25800 0.12100 0.57000 0.04700 Na11 0.01700 0.74200 0.38400 0.57000 0.04700 Na12 0.49200 0.75400 0.11800 0.57000 0.04700 Si1 0.62800 0.65400 0.89500 0.69900 0.00230 Al1 0.62800 0.65400 0.89500 0.30100 0.00230 Si2 0.87600 0.83900 0.58300 0.69900 0.00230 Al2 0.87600 0.83900 0.58300 0.30100 0.00230 Si3 0.84900 0.68500 0.09700 0.69900 0.00230 Al3 0.84900 0.68500 0.09700 0.30100 0.00230 Si4 0.62500 0.84500 0.40200 0.69900 0.00230 Al4 0.62500 0.84500 0.40200 0.30100 0.00230 Si5 0.88900 0.63400 0.66800 0.69900 0.00230 Al5 0.88900 0.63400 0.66800 0.30100 0.00230 Si6 0.60700 0.86900 0.83400 0.69900 0.00230 Al6 0.60700 0.86900 0.83400 0.30100 0.00230 Si7 0.58000 0.61900 0.35200 0.69900 0.00230 Al7 0.58000 0.61900 0.35200 0.30100 0.00230 Si8 0.91500 0.89400 0.17700 0.69900 0.00230 Al8 0.91500 0.89400 0.17700 0.30100 0.00230 Si9 0.62100 0.15700 0.08800 0.69900 0.00230 Al9 0.62100 0.15700 0.08800 0.30100 0.00230 Si10 0.10400 0.64300 0.58400 0.69900 0.00230 Al10 0.10400 0.64300 0.58400 0.30100 0.00230 Si11 0.88000 0.17500 0.90500 0.69900 0.00230 Al11 0.88000 0.17500 0.90500 0.30100 0.00230 Si12 0.62900 0.33600 0.57500 0.69900 0.00230 Al12 0.62900 0.33600 0.57500 0.30100 0.00230 Si13 0.08400 0.86000 0.66900 0.69900 0.00230 Al13 0.08400 0.86000 0.66900 0.30100 0.00230 Si14 0.58600 0.37300 0.14900 0.69900 0.00230 Al14 0.58600 0.37300 0.14900 0.30100 0.00230 Si15 0.41800 0.87500 0.34300 0.69900 0.00230 Al15 0.41800 0.87500 0.34300 0.30100 0.00230 Si16 0.93800 0.39200 0.83700 0.69900 0.00230 Al16 0.93800 0.39200 0.83700 0.30100 0.00230 Si17 0.67200 0.90900 0.61200 0.69900 0.00230 Al17 0.67200 0.90900 0.61200 0.30100 0.00230 Si18 0.85100 0.59500 0.88200 0.69900 0.00230 Al18 0.85100 0.59500 0.88200 0.30100 0.00230 Si19 0.85100 0.92200 0.37700 0.69900 0.00230 Al19 0.85100 0.92200 0.37700 0.30100 0.00230 Si20 0.62900 0.60800 0.11400 0.69900 0.00230 Al20 0.62900 0.60800 0.11400 0.30100 0.00230 Si21 0.68100 0.42100 0.35600 0.69900 0.00230 Al21 0.68100 0.42100 0.35600 0.30100 0.00230 Si22 0.81700 0.09800 0.12300 0.69900 0.00230 Al22 0.81700 0.09800 0.12300 0.30100 0.00230 Si23 0.82300 0.41600 0.63400 0.69900 0.00230 Al23 0.82300 0.41600 0.63400 0.30100 0.00230 Si24 0.33900 0.90900 0.13400 0.69900 0.00230 Al24 0.33900 0.90900 0.13400 0.30100 0.00230 O1 0.62500 0.84900 0.71300 1.00000 0.00600 O2 0.89400 0.65900 0.78900 1.00000 0.00600 O3 0.92600 0.88100 0.29800 1.00000 0.00600 O4 0.58200 0.62600 0.22900 1.00000 0.00600 O5 0.36900 0.63400 0.73800 1.00000 0.00600 O6 0.88700 0.15100 0.21300 1.00000 0.00600 O7 0.10700 0.62600 0.27700 1.00000 0.00600 O8 0.41600 0.86800 0.21900 1.00000 0.00600 O9 0.60800 0.85900 0.52500 1.00000 0.00600 O10 0.86300 0.66700 0.97800 1.00000 0.00600 O11 0.89400 0.85400 0.46600 1.00000 0.00600 O12 0.58600 0.64300 0.00700 1.00000 0.00600 O13 0.34700 0.64600 0.54400 1.00000 0.00600 O14 0.85600 0.15400 0.02200 1.00000 0.00600 O15 0.12000 0.61200 0.46900 1.00000 0.00600 O16 0.39100 0.88300 0.02600 1.00000 0.00600 O17 0.72600 0.58300 0.88400 1.00000 0.00600 O18 0.78700 0.90800 0.63100 1.00000 0.00600 O19 0.74500 0.62800 0.13100 1.00000 0.00600 O20 0.73300 0.88700 0.35900 1.00000 0.00600 O21 0.70700 0.10900 0.15500 1.00000 0.00600 O22 0.19600 0.58400 0.64400 1.00000 0.00600 O23 0.77800 0.12200 0.86300 1.00000 0.00600 O24 0.71300 0.36200 0.66000 1.00000 0.00600 O25 0.36100 0.97400 0.38000 1.00000 0.00600 O26 0.88200 0.47900 0.89700 1.00000 0.00600 O27 0.85900 0.04300 0.38900 1.00000 0.00600 O28 0.62100 0.48200 0.09700 1.00000 0.00600 O29 0.65600 0.53400 0.38900 1.00000 0.00600 O30 0.85700 0.98600 0.13200 1.00000 0.00600 O31 0.81500 0.53900 0.63500 1.00000 0.00600 O32 0.66500 0.96800 0.87200 1.00000 0.00600 O33 0.83900 0.72600 0.60800 1.00000 0.00600 O34 0.65900 0.77200 0.88300 1.00000 0.00600 O35 0.62200 0.72500 0.39500 1.00000 0.00600 O36 0.85800 0.79800 0.13400 1.00000 0.00600 O37 0.12300 0.76300 0.60600 1.00000 0.00600 O38 0.62000 0.27900 0.07900 1.00000 0.00600 O39 0.59100 0.22100 0.58300 1.00000 0.00600 O40 0.88400 0.29600 0.89700 1.00000 0.00600 O41 0.53200 0.62400 0.82600 1.00000 0.00600 O42 0.96300 0.87200 0.66200 1.00000 0.00600 O43 0.06200 0.38100 0.84600 1.00000 0.00600 O44 0.53600 0.90800 0.35900 1.00000 0.00600 O45 0.48400 0.87700 0.85300 1.00000 0.00600 O46 0.99700 0.60400 0.62800 1.00000 0.00600 O47 0.03100 0.88800 0.13800 1.00000 0.00600 O48 0.53200 0.40500 0.60400 1.00000 0.00600 Wat1 0.60300 0.65000 0.60700 1.00000 0.04700 Wat2 0.09900 0.07900 0.11900 1.00000 0.04700 Wat3 0.86700 0.63700 0.36900 1.00000 0.04700 Wat4 0.60600 0.88000 0.10900 1.00000 0.04700 Wat5 0.38500 0.92100 0.63700 1.00000 0.04700 Wat6 0.87400 0.35900 0.13400 1.00000 0.04700 Wat7 0.15800 0.84300 0.35700 1.00000 0.04700 Wat8 0.65400 0.38000 0.86100 1.00000 0.04700