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 = 2.12 GPa ; _database_code_amcsd 0004137 _chemical_compound_source 'Su Marralzu, Sardinia, Italy' _chemical_formula_sum 'Na1.71 (Si4.194 Al1.806) O14 H4' _cell_length_a 13.4464 _cell_length_b 13.3657 _cell_length_c 13.3449 _cell_angle_alpha 89.691 _cell_angle_beta 88.152 _cell_angle_gamma 90.034 _cell_volume 2397.070 _exptl_crystal_density_diffrn 2.404 _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 0.55000 0.48800 0.71700 0.57000 0.04000 Na2 0.12300 0.97800 0.25600 0.57000 0.04000 Na3 0.85500 0.50200 0.23800 0.57000 0.04000 Na4 0.57900 0.96600 0.22200 0.57000 0.04000 Na5 0.75000 0.63400 0.49800 0.57000 0.04000 Na6 0.76800 0.86100 0.00200 0.57000 0.04000 Na7 0.26600 0.89200 0.50400 0.57000 0.04000 Na8 0.76800 0.34500 0.99800 0.57000 0.04000 Na9 0.49600 0.76400 0.62100 0.57000 0.04000 Na10 0.99100 0.26800 0.11100 0.57000 0.04000 Na11 0.03000 0.76900 0.39600 0.57000 0.04000 Na12 0.47600 0.73600 0.11700 0.57000 0.04000 Si1 0.62900 0.64100 0.90300 0.69900 0.00200 Al1 0.62900 0.64100 0.90300 0.30100 0.00200 Si2 0.87700 0.84400 0.57700 0.69900 0.00200 Al2 0.87700 0.84400 0.57700 0.30100 0.00200 Si3 0.85400 0.66700 0.10100 0.69900 0.00200 Al3 0.85400 0.66700 0.10100 0.30100 0.00200 Si4 0.64000 0.82400 0.38500 0.69900 0.00200 Al4 0.64000 0.82400 0.38500 0.30100 0.00200 Si5 0.88300 0.63400 0.66300 0.69900 0.00200 Al5 0.88300 0.63400 0.66300 0.30100 0.00200 Si6 0.61200 0.86000 0.81500 0.69900 0.00200 Al6 0.61200 0.86000 0.81500 0.30100 0.00200 Si7 0.57400 0.59800 0.34800 0.69900 0.00200 Al7 0.57400 0.59800 0.34800 0.30100 0.00200 Si8 0.90600 0.89900 0.16300 0.69900 0.00200 Al8 0.90600 0.89900 0.16300 0.30100 0.00200 Si9 0.60500 0.14300 0.08200 0.69900 0.00200 Al9 0.60500 0.14300 0.08200 0.30100 0.00200 Si10 0.11200 0.65200 0.60400 0.69900 0.00200 Al10 0.11200 0.65200 0.60400 0.30100 0.00200 Si11 0.88600 0.16400 0.91900 0.69900 0.00200 Al11 0.88600 0.16400 0.91900 0.30100 0.00200 Si12 0.63600 0.33300 0.57900 0.69900 0.00200 Al12 0.63600 0.33300 0.57900 0.30100 0.00200 Si13 0.07200 0.86300 0.65900 0.69900 0.00200 Al13 0.07200 0.86300 0.65900 0.30100 0.00200 Si14 0.59400 0.37000 0.15700 0.69900 0.00200 Al14 0.59400 0.37000 0.15700 0.30100 0.00200 Si15 0.42600 0.88100 0.33500 0.69900 0.00200 Al15 0.42600 0.88100 0.33500 0.30100 0.00200 Si16 0.95100 0.37900 0.82000 0.69900 0.00200 Al16 0.95100 0.37900 0.82000 0.30100 0.00200 Si17 0.66600 0.90800 0.60700 0.69900 0.00200 Al17 0.66600 0.90800 0.60700 0.30100 0.00200 Si18 0.85300 0.58400 0.88600 0.69900 0.00200 Al18 0.85300 0.58400 0.88600 0.30100 0.00200 Si19 0.85900 0.91800 0.36800 0.69900 0.00200 Al19 0.85900 0.91800 0.36800 0.30100 0.00200 Si20 0.62800 0.59400 0.12100 0.69900 0.00200 Al20 0.62800 0.59400 0.12100 0.30100 0.00200 Si21 0.68200 0.39100 0.36200 0.69900 0.00200 Al21 0.68200 0.39100 0.36200 0.30100 0.00200 Si22 0.81800 0.09900 0.14800 0.69900 0.00200 Al22 0.81800 0.09900 0.14800 0.30100 0.00200 Si23 0.83100 0.42000 0.62100 0.69900 0.00200 Al23 0.83100 0.42000 0.62100 0.30100 0.00200 Si24 0.31900 0.92600 0.14100 0.69900 0.00200 Al24 0.31900 0.92600 0.14100 0.30100 0.00200 O1 0.61500 0.83700 0.69700 1.00000 0.00500 O2 0.88500 0.64900 0.78400 1.00000 0.00500 O3 0.93000 0.87200 0.28000 1.00000 0.00500 O4 0.55500 0.60200 0.22600 1.00000 0.00500 O5 0.36800 0.66400 0.73200 1.00000 0.00500 O6 0.89400 0.14700 0.22200 1.00000 0.00500 O7 0.09400 0.62000 0.29200 1.00000 0.00500 O8 0.39800 0.87100 0.21500 1.00000 0.00500 O9 0.62500 0.84800 0.50500 1.00000 0.00500 O10 0.88800 0.64400 0.98600 1.00000 0.00500 O11 0.92500 0.88100 0.46800 1.00000 0.00500 O12 0.59300 0.65600 0.02100 1.00000 0.00500 O13 0.32800 0.68200 0.53800 1.00000 0.00500 O14 0.85600 0.16000 0.04200 1.00000 0.00500 O15 0.11200 0.61200 0.48400 1.00000 0.00500 O16 0.36800 0.90900 0.02600 1.00000 0.00500 O17 0.73000 0.57100 0.90100 1.00000 0.00500 O18 0.78400 0.91400 0.61900 1.00000 0.00500 O19 0.74000 0.63800 0.13500 1.00000 0.00500 O20 0.73900 0.88800 0.34300 1.00000 0.00500 O21 0.69500 0.11600 0.16200 1.00000 0.00500 O22 0.19500 0.59500 0.66100 1.00000 0.00500 O23 0.79400 0.12400 0.86000 1.00000 0.00500 O24 0.72400 0.36800 0.65400 1.00000 0.00500 O25 0.37800 0.98100 0.38800 1.00000 0.00500 O26 0.90400 0.47300 0.89000 1.00000 0.00500 O27 0.86500 0.03900 0.37900 1.00000 0.00500 O28 0.64000 0.47200 0.10500 1.00000 0.00500 O29 0.64000 0.50300 0.38200 1.00000 0.00500 O30 0.83800 0.98400 0.11700 1.00000 0.00500 O31 0.82400 0.53800 0.62600 1.00000 0.00500 O32 0.68600 0.95200 0.84700 1.00000 0.00500 O33 0.83900 0.72700 0.59500 1.00000 0.00500 O34 0.65400 0.76300 0.88200 1.00000 0.00500 O35 0.64300 0.70200 0.36500 1.00000 0.00500 O36 0.87000 0.79100 0.11100 1.00000 0.00500 O37 0.11400 0.77100 0.59000 1.00000 0.00500 O38 0.60600 0.26800 0.08500 1.00000 0.00500 O39 0.62100 0.21200 0.59900 1.00000 0.00500 O40 0.91800 0.27900 0.88700 1.00000 0.00500 O41 0.52800 0.61100 0.84500 1.00000 0.00500 O42 0.95200 0.86500 0.67200 1.00000 0.00500 O43 0.07100 0.39400 0.82200 1.00000 0.00500 O44 0.55000 0.88400 0.32900 1.00000 0.00500 O45 0.50500 0.89300 0.87000 1.00000 0.00500 O46 0.00500 0.60200 0.64600 1.00000 0.00500 O47 0.01800 0.91100 0.10800 1.00000 0.00500 O48 0.53400 0.40300 0.58400 1.00000 0.00500 Wat1 0.58600 0.58500 0.60700 1.00000 0.04000 Wat2 0.09900 0.10700 0.11300 1.00000 0.04000 Wat3 0.89300 0.62300 0.38800 1.00000 0.04000 Wat4 0.61700 0.87200 0.08700 1.00000 0.04000 Wat5 0.37900 0.91300 0.63400 1.00000 0.04000 Wat6 0.88400 0.39500 0.13100 1.00000 0.04000 Wat7 0.16200 0.84300 0.36500 1.00000 0.04000 Wat8 0.65500 0.36600 0.86300 1.00000 0.04000