data_global _chemical_name_mineral 'Trinepheline' loop_ _publ_author_name 'Kahlenberg V' 'Bohm H' _journal_name_full 'American Mineralogist' _journal_volume 83 _journal_year 1998 _journal_page_first 631 _journal_page_last 637 _publ_section_title ; Crystal structure of hexagonal trinepheline - A new synthetic NaAlSiO4 modification ; _database_code_amcsd 0002011 _chemical_compound_source 'Synthetic' _chemical_formula_sum 'Na Al Si O4' _cell_length_a 9.995 _cell_length_b 9.995 _cell_length_c 24.797 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 2145.336 _exptl_crystal_density_diffrn 2.639 _symmetry_space_group_name_H-M 'P 61' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x-y,x,1/6+z' '-y,x-y,1/3+z' '-x,-y,1/2+z' '-x+y,-x,2/3+z' 'y,-x+y,5/6+z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Na1 0.02050 -0.43520 0.03560 Na2 0.47350 -0.55790 0.03030 Na3 0.51830 -0.44260 0.18640 Na4 0.00430 -0.98510 0.02800 All 0.32660 -0.90200 0.08640 Al2 0.88070 -0.75440 0.09170 Al3 0.81110 -0.29200 0.09540 Al4 0.33080 -0.35480 0.09060 Si1 0.20240 -0.69640 0.12790 Si2 0.36370 -0.29770 -0.03740 Si3 0.91220 -0.76360 -0.03500 Si4 0.13340 -0.22180 0.13580 O1 0.31370 -0.53710 0.09670 O2 0.05840 -0.66370 -0.07410 O3 0.02810 -0.72710 0.13620 O4 0.27650 -0.68690 0.18690 O5 0.05810 -0.24590 0.19500 O6 0.19180 -0.84130 0.09550 O7 0.68100 -0.46520 0.12640 O8 0.86170 -0.94570 -0.03940 O9 0.96000 -0.70960 0.02710 O10 0.76960 -0.74130 -0.05070 O11 0.17990 -0.35460 0.12620 O12 0.51670 -0.75150 0.09180 O13 0.28810 -0.05330 0.13030 O14 0.30240 -0.32260 0.02390 O15 0.00450 -0.24380 0.09200 O16 0.82120 -0.62340 0.10860 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 Na1 0.01800 0.01600 0.01800 0.01100 -0.00400 0.00000 Na2 0.01600 0.02000 0.02200 0.00700 0.00700 -0.00200 Na3 0.01900 0.02200 0.02800 0.00100 0.00600 -0.00800 Na4 0.03600 0.04500 0.03700 0.01700 -0.01900 0.00000 All 0.00700 0.00600 0.00800 0.00300 -0.00100 0.00000 Al2 0.00600 0.00700 0.00800 0.00300 0.00000 -0.00100 Al3 0.00600 0.00500 0.00900 0.00300 -0.00100 -0.00100 Al4 0.00500 0.00500 0.00900 0.00200 0.00100 0.00200 Si1 0.00600 0.00600 0.00700 0.00300 0.00100 0.00000 Si2 0.00500 0.00700 0.01200 0.00300 0.00100 0.00200 Si3 0.00400 0.00600 0.00800 0.00200 -0.00100 0.00000 Si4 0.00700 0.00600 0.00700 0.00300 0.00000 -0.00100 O1 0.01100 0.00600 0.02000 0.00300 0.00500 0.00400 O2 0.00700 0.01600 0.01300 0.00600 0.00200 0.00400 O3 0.00700 0.01400 0.01200 0.00600 -0.00100 -0.00100 O4 0.01000 0.02200 0.00800 0.01000 -0.00100 -0.00200 O5 0.01200 0.01600 0.01100 0.00000 0.00200 -0.00300 O6 0.01000 0.00900 0.01600 0.00600 -0.00200 -0.00500 O7 0.01100 0.00700 0.02900 0.00400 0.00700 0.00600 O8 0.01100 0.00600 0.02000 0.00300 -0.00700 -0.00200 O9 0.01500 0.01400 0.00800 0.00100 0.00100 0.00000 O10 0.01600 0.02200 0.03600 0.01500 -0.00500 -0.00100 O11 0.00900 0.00900 0.01700 0.00500 0.00300 0.00200 O12 0.00700 0.01400 0.01500 0.00000 -0.00200 0.00200 O13 0.00900 0.00600 0.01100 0.00100 -0.00300 0.00200 O14 0.01900 0.02600 0.01000 0.01300 0.00300 0.00600 O15 0.00600 0.01200 0.01100 0.00500 -0.00100 -0.00100 O16 0.00700 0.00700 0.03000 0.00400 0.00400 0.00000