data_global _chemical_name_mineral 'Fluorvesuvianite' loop_ _publ_author_name 'Britvin S N' 'Antonov A A' 'Krivovichev S V' 'Armbruster T' 'Burns P C' 'Chukanov N V' _journal_name_full 'The Canadian Mineralogist' _journal_volume 41 _journal_year 2003 _journal_page_first 1371 _journal_page_last 1380 _publ_section_title ; Fluorvesuvianite, Ca19(Al,Mg,Fe)13[SiO4]10[Si2O7]4O(F,OH)9, a new mineral species from Pitkaranta, Karelia, Russia: Description and crystal structure ; _database_code_amcsd 0005894 _chemical_compound_source 'Pitkaranta, Karelia, Russia' _chemical_formula_sum 'Si17.606 Ca19 Fe1.368 Al10.24 Mg1.36 O72.24 F5.76 H' _cell_length_a 15.5295 _cell_length_b 15.5295 _cell_length_c 11.7808 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 2841.121 _exptl_crystal_density_diffrn 3.399 _symmetry_space_group_name_H-M 'P 4/n n c' loop_ _space_group_symop_operation_xyz 'x,y,z' '-y,-x,1/2+z' 'y,x,1/2-z' '1/2+y,-x,-z' '1/2-y,x,z' '1/2+x,-y,1/2+z' '1/2-x,y,1/2-z' '1/2+x,1/2+y,-z' '1/2-x,1/2-y,z' '1/2+y,1/2+x,1/2+z' '1/2-y,1/2-x,1/2-z' '-y,1/2+x,-z' 'y,1/2-x,z' '-x,1/2+y,1/2+z' 'x,1/2-y,1/2-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 Si1 0.75000 0.25000 0.00000 0.80300 0.00310 Si2 0.81894 0.04068 0.87126 1.00000 0.00970 Si3 0.91766 0.84952 0.36457 1.00000 0.01020 Ca1 0.75000 0.25000 0.25000 1.00000 0.01130 Ca2 0.81096 0.04346 0.37980 1.00000 0.01110 Ca3 0.89923 0.82022 0.88711 1.00000 0.01560 Ca4 0.75000 0.75000 0.14280 0.50000 0.01400 Fe1 0.75000 0.75000 0.05000 0.50000 0.02550 Al2 0.00000 0.00000 0.00000 1.00000 0.01030 Fe3 0.88813 0.12071 0.12691 0.04600 0.00800 Al3 0.88813 0.12071 0.12691 0.78000 0.00800 Mg3 0.88813 0.12071 0.12691 0.17000 0.00800 O1 0.78110 0.17140 0.08690 1.00000 0.01110 O2 0.88350 0.15940 0.27850 1.00000 0.00960 O3 0.95040 0.27820 0.42330 1.00000 0.01040 O4 0.10670 -0.06270 0.02960 1.00000 0.01060 O5 0.83050 0.01480 0.17820 1.00000 0.01210 O6 0.88230 0.72880 0.05900 1.00000 0.01480 O7 0.05640 0.17500 0.32210 1.00000 0.01220 O8 0.09060 0.06100 0.56610 1.00000 0.01040 O9 0.85540 0.85540 0.25000 1.00000 0.01090 O10 0.75000 0.75000 0.86420 1.00000 0.01460 F11 -0.00470 0.06200 0.13740 0.72000 0.01660 O11 -0.00470 0.06200 0.13740 0.28000 0.01660 H 0.75000 0.75000 0.75000 1.00000 0.08000 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 Si1 0.00290 0.00290 0.00340 0.00000 0.00000 0.00000 Si2 0.00930 0.01040 0.00950 0.00040 0.00070 0.00070 Si3 0.01350 0.00810 0.00910 -0.00120 0.00020 0.00080 Ca1 0.01310 0.00990 0.01080 0.00000 0.00000 0.00000 Ca2 0.00950 0.01280 0.01090 0.00100 -0.00020 0.00010 Ca3 0.01320 0.01300 0.02070 0.00200 -0.00570 -0.00260 Ca4 0.01400 0.01400 0.01400 0.00000 0.00000 0.00000 Fe1 0.01410 0.01410 0.04800 0.00000 0.00000 0.00000 Al2 0.00950 0.00670 0.01480 0.00130 0.00190 0.00030 Fe3 0.00870 0.00840 0.00700 0.00040 0.00170 -0.00010 Al3 0.00870 0.00840 0.00700 0.00040 0.00170 -0.00010 Mg3 0.00870 0.00840 0.00700 0.00040 0.00170 -0.00010 O1 0.01000 0.01400 0.00900 -0.00060 -0.00200 -0.00420 O2 0.01200 0.00800 0.00900 -0.00050 -0.00100 0.00160 O3 0.01400 0.00900 0.00900 -0.00250 -0.00270 -0.00340 O4 0.01000 0.00900 0.01200 -0.00330 -0.00040 0.00210 O5 0.00900 0.01200 0.01500 0.00610 0.00370 0.00080 O6 0.02100 0.01000 0.01400 0.00340 0.00300 0.00250 O7 0.01100 0.01300 0.01300 0.00160 -0.00020 0.00310 O8 0.01000 0.00900 0.01200 -0.00080 -0.00080 -0.00280 O9 0.01150 0.01150 0.01000 -0.00200 -0.00170 0.00170 O10 0.01400 0.01400 0.01500 0.00000 0.00000 0.00000 F11 0.01600 0.02000 0.01400 -0.00060 -0.00100 -0.00300 O11 0.01600 0.02000 0.01400 -0.00060 -0.00100 -0.00300