data_global _chemical_name_mineral 'Lavenite' loop_ _publ_author_name 'Biagioni C' 'Merlino S' 'Parodi G C' 'Perchiazzi N' _journal_name_full 'The Canadian Mineralogist' _journal_volume 50 _journal_year 2012 _journal_page_first 593 _journal_page_last 609 _publ_section_title ; Crystal chemistry of minerals of the wohlerite group from the Los Archipelago, Guinea ; _database_code_amcsd 0019476 _chemical_compound_source 'the nepheline syenites of the Los Archipelago, Guinea' _chemical_formula_sum 'Zr.733 Ti.477 Mn.79 (Ca.82 Na1.18) Si2 O7.75 F1.25' _cell_length_a 10.8475 _cell_length_b 9.9364 _cell_length_c 7.1488 _cell_angle_alpha 90 _cell_angle_beta 108.392 _cell_angle_gamma 90 _cell_volume 731.175 _exptl_crystal_density_diffrn 3.607 _symmetry_space_group_name_H-M 'P 1 21/a 1' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2-y,z' '1/2-x,1/2+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 Zr1 0.29416 0.10458 0.02461 0.73300 0.01260 Ti1 0.29416 0.10458 0.02461 0.26700 0.01260 Mn2 0.43681 0.37260 0.85520 0.79000 0.01530 Ti2 0.43681 0.37260 0.85520 0.21000 0.01530 Ca3 0.30325 0.10791 0.52620 0.60000 0.01790 Na3 0.30325 0.10791 0.52620 0.40000 0.01790 Ca4 0.42630 0.37970 0.34160 0.22000 0.02130 Na4 0.42630 0.37970 0.34160 0.78000 0.02130 Si1 0.62284 0.16655 0.21740 1.00000 0.01060 Si2 0.61952 0.16812 0.66760 1.00000 0.01120 O1 0.63740 0.16680 0.45160 1.00000 0.03150 O2 0.74080 0.26280 0.20730 1.00000 0.01780 O3 0.74700 0.25080 0.79900 1.00000 0.02070 O4 0.65280 0.01410 0.16610 1.00000 0.02000 O5 0.62880 0.01220 0.73510 1.00000 0.02130 O6 0.47970 0.22050 0.09680 1.00000 0.01630 O7 0.48540 0.23960 0.65340 1.00000 0.02420 O8 0.62010 0.47980 0.95380 0.75000 0.02240 F8 0.62010 0.47980 0.95380 0.25000 0.02240 F9 0.38690 0.50570 0.59430 1.00000 0.02740 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 Zr1 0.01420 0.00890 0.01460 0.00420 0.00420 0.00110 Ti1 0.01420 0.00890 0.01460 0.00420 0.00420 0.00110 Mn2 0.01350 0.01350 0.01930 -0.00070 0.00590 -0.00120 Ti2 0.01350 0.01350 0.01930 -0.00070 0.00590 -0.00120 Ca3 0.01550 0.01570 0.02190 -0.00360 0.00530 -0.00020 Na3 0.01550 0.01570 0.02190 -0.00360 0.00530 -0.00020 Ca4 0.01810 0.02200 0.02400 -0.00640 0.00690 -0.00260 Na4 0.01810 0.02200 0.02400 -0.00640 0.00690 -0.00260 Si1 0.00780 0.01000 0.01370 0.00010 0.00280 0.00030 Si2 0.00920 0.00920 0.01450 0.00040 0.00290 0.00010 O1 0.03300 0.05100 0.01100 -0.00200 0.00800 0.00000 O2 0.01040 0.01300 0.02900 -0.00230 0.00510 0.00370 O3 0.01400 0.02100 0.02500 -0.00470 0.00290 -0.00500 O4 0.01800 0.01300 0.03100 0.00180 0.01100 0.00000 O5 0.02100 0.01300 0.02900 0.00200 0.00600 0.00500 O6 0.00710 0.01600 0.02300 0.00140 0.00050 0.00230 O7 0.01300 0.01500 0.04400 0.00090 0.00700 -0.00500 O8 0.01400 0.02200 0.03000 0.00350 0.00450 0.00500 F8 0.01400 0.02200 0.03000 0.00350 0.00450 0.00500 F9 0.01470 0.02300 0.04000 0.00250 0.00190 -0.00400