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 = 5.04 GPa ; _database_code_amcsd 0004138 _chemical_compound_source 'Su Marralzu, Sardinia, Italy' _chemical_formula_sum 'Na1.71 (Si4.194 Al1.806) O14 H4' _cell_length_a 13.1605 _cell_length_b 13.0149 _cell_length_c 13.0335 _cell_angle_alpha 90.178 _cell_angle_beta 86.849 _cell_angle_gamma 88.601 _cell_volume 2228.350 _exptl_crystal_density_diffrn 2.586 _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 0.58200 0.45300 0.75500 0.57000 0.04000 Na2 0.13400 0.00700 0.24500 0.57000 0.04000 Na3 0.90600 0.50400 0.21500 0.57000 0.04000 Na4 0.65300 0.98500 0.19600 0.57000 0.04000 Na5 0.75000 0.62700 0.50400 0.57000 0.04000 Na6 0.75900 0.87500 0.99800 0.57000 0.04000 Na7 0.26700 0.86700 0.50000 0.57000 0.04000 Na8 0.76600 0.38400 0.99700 0.57000 0.04000 Na9 0.49600 0.74600 0.60500 0.57000 0.04000 Na10 0.98300 0.26900 0.11300 0.57000 0.04000 Na11 0.03700 0.74500 0.38900 0.57000 0.04000 Na12 0.47500 0.73700 0.09600 0.57000 0.04000 Si1 0.63200 0.63600 0.90400 0.69900 0.00200 Al1 0.63200 0.63600 0.90400 0.30100 0.00200 Si2 0.87600 0.84700 0.57500 0.69900 0.00200 Al2 0.87600 0.84700 0.57500 0.30100 0.00200 Si3 0.83900 0.69100 0.10700 0.69900 0.00200 Al3 0.83900 0.69100 0.10700 0.30100 0.00200 Si4 0.64000 0.83100 0.37800 0.69900 0.00200 Al4 0.64000 0.83100 0.37800 0.30100 0.00200 Si5 0.87800 0.62600 0.67200 0.69900 0.00200 Al5 0.87800 0.62600 0.67200 0.30100 0.00200 Si6 0.62400 0.83700 0.81100 0.69900 0.00200 Al6 0.62400 0.83700 0.81100 0.30100 0.00200 Si7 0.57400 0.59900 0.35600 0.69900 0.00200 Al7 0.57400 0.59900 0.35600 0.30100 0.00200 Si8 0.90700 0.90700 0.15300 0.69900 0.00200 Al8 0.90700 0.90700 0.15300 0.30100 0.00200 Si9 0.60200 0.14900 0.08800 0.69900 0.00200 Al9 0.60200 0.14900 0.08800 0.30100 0.00200 Si10 0.11200 0.62200 0.60600 0.69900 0.00200 Al10 0.11200 0.62200 0.60600 0.30100 0.00200 Si11 0.88300 0.17100 0.92600 0.69900 0.00200 Al11 0.88300 0.17100 0.92600 0.30100 0.00200 Si12 0.63700 0.31700 0.57800 0.69900 0.00200 Al12 0.63700 0.31700 0.57800 0.30100 0.00200 Si13 0.07900 0.86400 0.64200 0.69900 0.00200 Al13 0.07900 0.86400 0.64200 0.30100 0.00200 Si14 0.57900 0.36000 0.16600 0.69900 0.00200 Al14 0.57900 0.36000 0.16600 0.30100 0.00200 Si15 0.43400 0.88100 0.31900 0.69900 0.00200 Al15 0.43400 0.88100 0.31900 0.30100 0.00200 Si16 0.95900 0.38200 0.80800 0.69900 0.00200 Al16 0.95900 0.38200 0.80800 0.30100 0.00200 Si17 0.64200 0.90300 0.59900 0.69900 0.00200 Al17 0.64200 0.90300 0.59900 0.30100 0.00200 Si18 0.84100 0.58600 0.89100 0.69900 0.00200 Al18 0.84100 0.58600 0.89100 0.30100 0.00200 Si19 0.86300 0.91800 0.36800 0.69900 0.00200 Al19 0.86300 0.91800 0.36800 0.30100 0.00200 Si20 0.62200 0.58200 0.12900 0.69900 0.00200 Al20 0.62200 0.58200 0.12900 0.30100 0.00200 Si21 0.68100 0.38700 0.36500 0.69900 0.00200 Al21 0.68100 0.38700 0.36500 0.30100 0.00200 Si22 0.80700 0.13700 0.15700 0.69900 0.00200 Al22 0.80700 0.13700 0.15700 0.30100 0.00200 Si23 0.82900 0.41600 0.62400 0.69900 0.00200 Al23 0.82900 0.41600 0.62400 0.30100 0.00200 Si24 0.31200 0.93900 0.13400 0.69900 0.00200 Al24 0.31200 0.93900 0.13400 0.30100 0.00200 O1 0.62900 0.81800 0.68700 1.00000 0.00400 O2 0.89400 0.65800 0.79500 1.00000 0.00400 O3 0.93800 0.88500 0.27000 1.00000 0.00400 O4 0.54600 0.59600 0.23500 1.00000 0.00400 O5 0.37400 0.67100 0.72400 1.00000 0.00400 O6 0.89700 0.16500 0.23600 1.00000 0.00400 O7 0.08300 0.63300 0.30900 1.00000 0.00400 O8 0.38700 0.87100 0.20700 1.00000 0.00400 O9 0.60600 0.85900 0.49200 1.00000 0.00400 O10 0.88200 0.65200 0.99200 1.00000 0.00400 O11 0.91200 0.83500 0.44900 1.00000 0.00400 O12 0.57200 0.62400 0.02300 1.00000 0.00400 O13 0.31400 0.69600 0.54200 1.00000 0.00400 O14 0.84000 0.19100 0.04400 1.00000 0.00400 O15 0.13000 0.56800 0.49400 1.00000 0.00400 O16 0.35700 0.90900 0.01900 1.00000 0.00400 O17 0.72400 0.55300 0.89100 1.00000 0.00400 O18 0.77000 0.91700 0.58700 1.00000 0.00400 O19 0.73200 0.63700 0.14500 1.00000 0.00400 O20 0.75000 0.87700 0.33500 1.00000 0.00400 O21 0.68500 0.13800 0.17900 1.00000 0.00400 O22 0.20100 0.58700 0.67200 1.00000 0.00400 O23 0.80300 0.10500 0.86700 1.00000 0.00400 O24 0.72300 0.35800 0.65200 1.00000 0.00400 O25 0.40200 0.98800 0.38000 1.00000 0.00400 O26 0.92500 0.48900 0.87100 1.00000 0.00400 O27 0.85300 0.04000 0.40200 1.00000 0.00400 O28 0.64200 0.45900 0.12000 1.00000 0.00400 O29 0.64200 0.50400 0.39900 1.00000 0.00400 O30 0.83700 0.01100 0.14200 1.00000 0.00400 O31 0.80400 0.53200 0.66900 1.00000 0.00400 O32 0.69400 0.93800 0.83600 1.00000 0.00400 O33 0.84800 0.73300 0.61700 1.00000 0.00400 O34 0.67300 0.75400 0.89300 1.00000 0.00400 O35 0.64500 0.70400 0.36400 1.00000 0.00400 O36 0.84100 0.81600 0.10500 1.00000 0.00400 O37 0.09300 0.74900 0.59100 1.00000 0.00400 O38 0.59700 0.27700 0.06600 1.00000 0.00400 O39 0.62600 0.19500 0.60100 1.00000 0.00400 O40 0.91400 0.28600 0.88100 1.00000 0.00400 O41 0.54400 0.61400 0.82400 1.00000 0.00400 O42 0.96200 0.90500 0.64200 1.00000 0.00400 O43 0.08100 0.34500 0.80500 1.00000 0.00400 O44 0.56100 0.88500 0.29800 1.00000 0.00400 O45 0.50300 0.87500 0.84800 1.00000 0.00400 O46 0.99400 0.57500 0.64500 1.00000 0.00400 O47 0.01500 0.90700 0.08000 1.00000 0.00400 O48 0.53200 0.38300 0.57600 1.00000 0.00400 Wat1 0.59000 0.58200 0.61600 1.00000 0.04000 Wat2 0.08900 0.12100 0.09900 1.00000 0.04000 Wat3 0.91100 0.60500 0.40200 1.00000 0.04000 Wat4 0.61400 0.86000 0.08100 1.00000 0.04000 Wat5 0.39300 0.90900 0.63500 1.00000 0.04000 Wat6 0.88900 0.40600 0.11600 1.00000 0.04000 Wat7 0.15900 0.85600 0.37300 1.00000 0.04000 Wat8 0.65800 0.33400 0.86100 1.00000 0.04000