data_global _chemical_name_mineral 'Evdokimovite' loop_ _publ_author_name 'Siidra O I' 'Vergasova L P' 'Kretser Y L' 'Polekhovsky Y S' 'Filatov S K' 'Krivovichev S V' _journal_name_full 'Mineralogical Magazine' _journal_volume 78 _journal_year 2014 _journal_page_first 1711 _journal_page_last 1724 _publ_section_title ; Unique thallium mineralization in the fumaroles of the Tolbachik volcano, Kamchatka Peninsula, Russia. III. Evdokimovite, Tl4(VO)3(SO4)5(H2O)5 ; _database_code_amcsd 0020611 _chemical_compound_source 'Tolbachik volcano, Kamchatka Peninsula, Russia' _chemical_formula_sum 'Tl4 V3 S5 O28 H10' _cell_length_a 6.2958 _cell_length_b 10.110 _cell_length_c 39.426 _cell_angle_alpha 90 _cell_angle_beta 90.347 _cell_angle_gamma 90 _cell_volume 2509.440 _exptl_crystal_density_diffrn 4.205 _symmetry_space_group_name_H-M 'P 1 21/n 1' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2-y,1/2+z' '1/2-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 Tl1 0.55250 0.13654 0.20117 1.00000 0.02810 Tl2 0.29370 0.76251 0.13287 1.00000 0.03150 Tl3 0.91150 0.46240 0.13815 1.00000 0.03410 Tl4 0.27030 -0.09700 0.03510 0.70000 0.08650 Tl4A 0.06200 -0.05080 0.01610 0.17000 0.04400 Tl4B 0.42900 -0.05680 0.01790 0.13000 0.05600 V1 0.03870 0.25720 0.26966 1.00000 0.01420 V2 0.75700 0.06650 0.10279 1.00000 0.01140 V3 0.25350 0.33050 0.05437 1.00000 0.00830 S1 0.25050 0.11510 0.11280 1.00000 0.01030 S2 0.46810 0.47810 0.18990 1.00000 0.01800 S3 0.75080 0.29470 0.04620 1.00000 0.01300 S4 0.53460 0.27620 0.28540 1.00000 0.01400 S5 0.75890 -0.25300 0.07140 1.00000 0.02600 O1 0.50400 0.18900 0.31570 1.00000 0.00900 O2 0.07200 0.04800 0.09490 1.00000 0.01700 O3 0.75800 0.30400 0.00960 1.00000 0.01900 Wat4 0.75600 -0.07700 0.13960 1.00000 0.02500 Wat5 0.04200 0.16400 0.21630 1.00000 0.03100 O6 0.93800 0.36900 0.06110 1.00000 0.01200 O7 -0.43100 0.41100 0.29810 1.00000 0.01300 O8 0.72300 0.23000 0.26580 1.00000 0.02800 Wat9 0.25100 0.43500 0.00930 1.00000 0.02600 O10 0.24700 0.19900 0.03360 1.00000 0.01900 O11 0.76000 0.18700 0.12920 1.00000 0.02600 O12 0.75300 0.14700 0.05680 1.00000 0.01400 O13 0.74400 -0.11000 0.07070 1.00000 0.01300 Wat14 0.99600 0.42100 0.24070 1.00000 0.01800 O15 0.56500 0.36700 0.06210 1.00000 0.02400 O16 0.29200 0.38800 0.18810 1.00000 0.02600 O17 0.24200 0.11000 0.14870 1.00000 0.02000 O18 0.44700 -0.17300 0.19400 1.00000 0.02100 O19 0.44600 0.04700 0.10090 1.00000 0.02300 Wat20 0.25200 0.53600 0.07360 1.00000 0.02600 O21 0.35900 0.27100 0.26120 1.00000 0.02000 O22 0.26100 0.25900 0.10220 1.00000 0.02200 O23 0.77000 -0.29600 0.10880 1.00000 0.04700 O24 0.43000 0.56500 0.21940 1.00000 0.02300 O25 0.48200 0.55200 0.15840 1.00000 0.02700 O26 0.66400 0.40100 0.19600 1.00000 0.02300 O27 0.57700 -0.31400 0.05530 1.00000 0.06600 O28 0.92400 -0.28700 0.05150 1.00000 0.11000 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 Tl1 0.02580 0.02850 0.02980 0.00230 -0.00380 -0.00380 Tl2 0.03860 0.02880 0.02710 0.00010 -0.00360 0.00330 Tl3 0.04240 0.02870 0.03150 -0.00540 0.00920 0.00030 Tl4 0.19100 0.02600 0.04200 -0.00200 -0.00500 -0.00500 Tl4A 0.03500 0.04300 0.05400 -0.00400 0.00900 -0.02000 Tl4B 0.06500 0.03400 0.06900 0.00600 -0.05500 -0.00500