data_global _chemical_name_mineral 'Trinepheline' loop_ _publ_author_name 'Vulic P' 'Kahlenberg V' 'Konzett J' _journal_name_full 'American Mineralogist' _journal_volume 93 _journal_year 2008 _journal_page_first 1072 _journal_page_last 1079 _publ_section_title ; On the existence of a Na-deficient monoclinic trinepheline with composition Na7.85Al7.85Si8.15O32 ; _database_code_amcsd 0004612 _chemical_compound_source 'Synthetic' _chemical_formula_sum 'Na.981 Al Si O4' _cell_length_a 9.9897 _cell_length_b 9.9622 _cell_length_c 24.979 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 119.788 _cell_volume 2157.433 _exptl_crystal_density_diffrn 2.616 _symmetry_space_group_name_H-M 'P 1 1 21' loop_ _space_group_symop_operation_xyz 'x,y,z' '-x,-y,1/2+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 Na1a 0.99210 0.43660 0.97170 1.00000 0.02300 Na1b 0.56170 0.55000 0.63000 1.00000 0.02300 Na1c 0.54590 0.97630 0.80330 1.00000 0.02600 Na2a 0.53020 0.54970 0.97300 1.00000 0.02400 Na2b 0.45110 0.01470 0.64100 1.00000 0.02500 Na2c 0.95940 0.52730 0.80310 1.00000 0.02600 Na3a 0.44110 0.45270 0.81490 1.00000 0.02200 Na3b 0.42980 0.99310 0.97220 1.00000 0.02100 Na3c 0.03530 0.47020 0.64010 1.00000 0.02700 Na4a 0.96370 0.95960 0.97230 0.85200 0.05700 Na4b 0.98280 0.98420 0.64330 1.00000 0.09100 Na4c 0.04310 0.03550 0.79740 0.92300 0.05400 Al1a 0.65390 0.90270 0.91060 1.00000 0.01000 Al1b 0.11370 0.77670 0.58220 1.00000 0.01100 Al1c 0.76310 0.68090 0.74560 1.00000 0.01000 Al2a 0.08460 0.75360 0.90800 1.00000 0.01000 Al2b 0.24580 0.33010 0.57490 1.00000 0.01100 Al2c 0.37040 0.12900 0.74400 1.00000 0.01000 Al3a 0.20820 0.30540 0.91060 1.00000 0.01200 Al3b 0.67020 0.90540 0.57410 1.00000 0.01000 Al3c 0.90000 0.19920 0.73660 1.00000 0.01000 Al4a 0.67080 0.34240 0.90920 1.00000 0.01100 Al4b 0.68740 0.35750 0.57070 1.00000 0.01100 Al4c 0.29700 0.65500 0.74350 1.00000 0.01200 Si1a 0.75610 0.67220 0.86870 1.00000 0.01000 Si1b 0.64970 0.89960 0.03440 1.00000 0.01100 Si1c 0.09810 0.80310 0.70770 1.00000 0.01000 Si2a 0.66910 0.33810 0.03770 1.00000 0.01100 Si2b 0.70440 0.34940 0.70060 1.00000 0.01100 Si2c 0.31730 0.64530 0.87390 1.00000 0.01300 Si3a 0.08360 0.75480 0.03420 1.00000 0.01100 Si3b 0.23490 0.32090 0.69900 1.00000 0.01000 Si3c 0.33370 0.09670 0.86910 1.00000 0.01000 Si4a 0.88530 0.22660 0.86170 1.00000 0.01000 Si4b 0.79150 0.69320 0.53330 1.00000 0.01000 Si4c 0.63180 0.87520 0.70000 1.00000 0.01000 O1a 0.64500 0.49560 0.89040 1.00000 0.02000 O1b 0.47060 0.81680 0.05240 1.00000 0.02300 O1c 0.13800 0.68190 0.73670 1.00000 0.01800 O2a 0.05090 0.27010 0.57610 1.00000 0.02000 O2b 0.32640 0.27800 0.74330 1.00000 0.01600 O2c 0.21980 0.94640 0.90380 1.00000 0.02400 O3a 0.93330 0.71260 0.86480 1.00000 0.01700 O3b 0.71220 0.77850 0.03150 1.00000 0.02000 O3c 0.24310 0.97460 0.70390 1.00000 0.01500 O4a 0.69780 0.68690 0.80960 1.00000 0.01600 O4b 0.66660 0.97230 0.97500 1.00000 0.01900 O4c 0.04080 0.74500 0.64710 1.00000 0.01800 O5a 0.96130 0.25820 0.80250 1.00000 0.01800 O5b 0.23910 0.25940 0.97410 1.00000 0.02100 O5c 0.65410 0.94800 0.64060 1.00000 0.01900 O6a 0.74090 0.78820 0.91070 1.00000 0.02200 O6b 0.25110 0.96960 0.57800 1.00000 0.01900 O6c 0.96040 0.81180 0.73930 1.00000 0.01300 O7a 0.33050 0.50290 0.90020 1.00000 0.01900 O7b 0.50860 0.17710 0.04410 1.00000 0.02000 O7c 0.85350 0.32750 0.70620 1.00000 0.02000 O8a 0.77860 0.06730 0.53670 1.00000 0.01600 O8b 0.05150 0.19490 0.70260 1.00000 0.01800 O8c 0.25630 0.20630 0.86440 1.00000 0.01900 O9a 0.01720 0.71790 0.97390 1.00000 0.02300 O9b 0.29930 0.31360 0.63990 1.00000 0.01600 O9c 0.35680 0.05640 0.80860 1.00000 0.02300 O10a 0.85650 0.36440 0.55010 1.00000 0.02500 O10b 0.25810 0.49120 0.70770 1.00000 0.02200 O10c 0.49730 0.17660 0.89950 1.00000 0.01900 O11a 0.82040 0.34370 0.87320 1.00000 0.01900 O11b 0.67260 0.50940 0.54250 1.00000 0.01800 O11c 0.45930 0.82180 0.72040 1.00000 0.02000 O12a 0.46260 0.80760 0.89200 1.00000 0.02800 O12b 0.80600 0.34230 0.07430 1.00000 0.01700 O12c 0.72850 0.49340 0.73750 1.00000 0.02200 O13a 0.74420 0.05080 0.86500 1.00000 0.01800 O13b 0.96540 0.72770 0.53630 1.00000 0.01900 O13c 0.66460 0.73010 0.69900 1.00000 0.01300 O14a 0.72320 0.35820 0.97590 1.00000 0.02200 O14b 0.68610 0.38540 0.63990 1.00000 0.02900 O14c 0.32310 0.62730 0.81060 1.00000 0.03400 O15a 0.01440 0.25270 0.90600 1.00000 0.01600 O15b 0.75800 0.79150 0.57800 1.00000 0.01600 O15c 0.75100 0.00750 0.74030 1.00000 0.01400 O16a 0.15710 0.63400 0.89170 1.00000 0.02400 O16b 0.35880 0.52000 0.55570 1.00000 0.02100 O16c 0.55360 0.19150 0.71930 1.00000 0.02000 loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 Na1a 0.02300 0.02300 0.02600 0.01400 0.00000 0.00000 Na1b 0.02600 0.02400 0.01900 0.01100 -0.00300 -0.00700 Na1c 0.02200 0.03800 0.01800 0.01600 -0.00400 -0.00700 Na2a 0.02400 0.02800 0.01900 0.01200 -0.00100 -0.00300 Na2b 0.02200 0.04000 0.02000 0.02000 -0.00200 -0.00200 Na2c 0.03100 0.02400 0.02400 0.01500 0.00900 0.01200 Na3a 0.02100 0.01400 0.02400 0.00400 0.00200 -0.00200 Na3b 0.02100 0.02700 0.01700 0.01300 -0.00200 -0.00100 Na3c 0.02900 0.02300 0.02500 0.01000 0.00900 0.00300 Na4a 0.06600 0.06700 0.03700 0.03200 0.00000 -0.00200 Na4b 0.17400 0.09500 0.06200 0.11100 -0.05300 -0.05100 Na4c 0.05000 0.07400 0.05400 0.04300 -0.03000 -0.03600 Al1a 0.01200 0.00900 0.01000 0.00600 0.00000 0.00000 Al1b 0.01300 0.01200 0.01000 0.00700 0.00100 0.00000 Al1c 0.01100 0.01100 0.00900 0.00600 0.00000 0.00000 Al2a 0.01000 0.00900 0.01000 0.00400 -0.00100 0.00000 Al2b 0.01000 0.01100 0.01000 0.00500 0.00000 0.00000 Al2c 0.01100 0.01200 0.00800 0.00600 0.00000 -0.00100 Al3a 0.01400 0.01400 0.01000 0.00800 0.00200 0.00000 Al3b 0.01000 0.01000 0.01000 0.00400 0.00000 0.00000 Al3c 0.00900 0.00900 0.01100 0.00400 0.00200 0.00100 Al4a 0.00900 0.01100 0.01100 0.00500 0.00000 0.00100 Al4b 0.01000 0.01100 0.01100 0.00400 -0.00100 -0.00100 Al4c 0.01300 0.01200 0.01200 0.00800 -0.00300 -0.00100 Si1a 0.01400 0.01200 0.00900 0.00900 0.00100 0.00000 Si1b 0.01300 0.00900 0.01000 0.00500 -0.00100 -0.00100 Si1c 0.00900 0.00900 0.01000 0.00400 -0.00100 0.00000 Si2a 0.01000 0.00900 0.01300 0.00400 -0.00100 -0.00100 Si2b 0.01000 0.01000 0.01400 0.00500 0.00000 -0.00100 Si2c 0.01100 0.01100 0.01800 0.00700 -0.00100 0.00100 Si3a 0.00900 0.01100 0.01100 0.00500 -0.00100 0.00000 Si3b 0.01100 0.01100 0.01000 0.00700 0.00000 0.00000 Si3c 0.01300 0.00900 0.00900 0.00600 -0.00100 0.00000 Si4a 0.00800 0.00900 0.00900 0.00200 0.00000 0.00000 Si4b 0.01200 0.01200 0.00800 0.00700 -0.00100 0.00000 Si4c 0.01100 0.01000 0.01000 0.00500 -0.00100 0.00000 O1a 0.01800 0.01700 0.02900 0.01200 0.00500 0.00700 O1b 0.01700 0.01400 0.03300 0.00500 0.00800 0.00400 O1c 0.00800 0.01500 0.03200 0.00500 0.00100 0.00300 O2a 0.01000 0.02800 0.01900 0.00700 0.00000 0.00500 O2b 0.02200 0.02000 0.01300 0.01500 -0.00300 -0.00300 O2c 0.01900 0.01600 0.02600 0.00100 0.00000 0.00000 O3a 0.01700 0.02300 0.01300 0.01200 -0.00200 -0.00100 O3b 0.03200 0.02300 0.01300 0.02100 0.00200 0.00400 O3c 0.01200 0.01000 0.01900 0.00200 -0.00300 0.00100 O4a 0.01700 0.02500 0.01000 0.01400 -0.00100 -0.00100 O4b 0.03400 0.02000 0.01200 0.01900 0.00000 -0.00100 O4c 0.01500 0.02000 0.01000 0.00100 0.00100 0.00000 O5a 0.01500 0.01900 0.01200 0.00100 0.00000 -0.00400 O5b 0.03000 0.03500 0.01000 0.02500 -0.00400 -0.00300 O5c 0.03300 0.02400 0.00800 0.02000 0.00400 0.00000 O6a 0.04000 0.03300 0.01200 0.03200 -0.00700 -0.00500 O6b 0.02200 0.01400 0.01300 0.00200 0.00000 0.00100 O6c 0.00800 0.01000 0.01800 0.00200 0.00000 -0.00100 O7a 0.00800 0.01400 0.03300 0.00400 0.00200 0.00700 O7b 0.01500 0.01600 0.02900 0.00800 0.00900 -0.00100 O7c 0.01600 0.01700 0.03000 0.00900 0.00600 0.01100 O8a 0.01900 0.01000 0.01600 0.00400 0.00200 0.00200 O8b 0.01400 0.02600 0.01500 0.01100 0.00300 -0.00500 O8c 0.02900 0.02200 0.01100 0.01700 0.00000 -0.00100 O9a 0.01700 0.02400 0.01200 -0.00100 0.00400 0.00200 O9b 0.01400 0.02200 0.01100 0.00900 0.00000 0.00100 O9c 0.04700 0.02800 0.01100 0.03200 -0.00200 0.00000 O10a 0.01300 0.01700 0.04400 0.00700 0.00300 -0.00100 O10b 0.02900 0.01500 0.02400 0.01400 0.00100 -0.00300 O10c 0.01300 0.01400 0.02200 0.00100 -0.00100 0.00400 O11a 0.01600 0.01600 0.02400 0.00900 0.00400 0.00300 O11b 0.02300 0.01400 0.01900 0.01100 -0.00400 -0.00200 O11c 0.01000 0.01200 0.03400 0.00300 0.00100 -0.00300 O12a 0.01100 0.01800 0.05100 0.00500 -0.00100 -0.00400 O12b 0.01800 0.01600 0.02200 0.01200 -0.00600 -0.00500 O12c 0.02300 0.01100 0.02800 0.00600 -0.00200 -0.00100 O13a 0.02200 0.01000 0.01400 0.00300 0.00100 0.00000 O13b 0.01700 0.02600 0.01600 0.01100 -0.00200 -0.00300 O13c 0.01600 0.01600 0.00900 0.00900 -0.00500 -0.00200 O14a 0.02100 0.02300 0.01300 0.00500 -0.00100 0.00000 O14b 0.04000 0.03900 0.01600 0.02500 -0.00500 -0.00100 O14c 0.04600 0.06300 0.00600 0.03600 -0.00600 -0.00200 O15a 0.00900 0.02400 0.01200 0.00600 -0.00200 0.00100 O15b 0.02500 0.02100 0.01100 0.01900 -0.00200 -0.00100 O15c 0.01600 0.01000 0.01100 0.00300 0.00100 0.00000 O16a 0.01300 0.01200 0.04700 0.00600 0.00500 -0.00200 O16b 0.01300 0.01600 0.03200 0.00800 0.00400 0.00500 O16c 0.01100 0.01100 0.03600 0.00500 0.00500 -0.00300