data_global _chemical_name_mineral 'Rakovanite' loop_ _publ_author_name 'Kampf A R' 'Hughes J M' 'Marty J' 'Gunter M E' 'Nash B' _journal_name_full 'The Canadian Mineralogist' _journal_volume 49 _journal_year 2011 _journal_page_first 595 _journal_page_last 604 _publ_section_title ; Rakovanite, Na3{H3[V10O28]}*15H2O, a new member of the pascoite family with a protonated decavanadate polyanion ; _database_code_amcsd 0018383 _chemical_compound_source 'Synthetic' _chemical_formula_sum 'V10 Na3 O43 H30' _cell_length_a 12.0248 _cell_length_b 17.121 _cell_length_c 18.140 _cell_angle_alpha 90 _cell_angle_beta 106.242 _cell_angle_gamma 90 _cell_volume 3585.550 _exptl_crystal_density_diffrn 2.402 _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_U_iso_or_equiv V1 0.06629 -0.12903 0.10294 0.01950 V2 -0.01357 -0.12711 0.24943 0.01940 V3 0.13092 -0.21570 0.39482 0.02120 V4 0.12453 -0.03548 0.39361 0.02060 V5 0.28535 -0.03402 0.10014 0.02220 V6 0.29434 -0.21384 0.10274 0.02260 V7 0.43406 -0.12108 0.24686 0.01820 V8 0.35254 -0.12222 0.39303 0.01810 V9 0.21232 -0.22040 0.24850 0.01750 V10 0.20634 -0.02923 0.24729 0.01700 Na1 0.28198 0.12442 -0.06503 0.03940 Na2 -0.19310 0.13984 0.16880 0.03160 Na3 -0.30959 0.10623 0.32547 0.03250 O1 -0.06850 -0.13160 0.05411 0.02460 O2 -0.14450 -0.12790 0.19691 0.02380 O3 0.10630 -0.28480 0.44790 0.02950 O4 0.09490 0.03210 0.44620 0.02710 O5 0.31020 0.03440 0.04770 0.03150 O6 0.32610 -0.28190 0.05200 0.03410 O7 0.56630 -0.11970 0.29885 0.02380 O8 0.48600 -0.11930 0.44337 0.02360 O9 0.24380 -0.12490 0.18500 0.01600 O10 0.17330 -0.12440 0.31152 0.01660 O11 0.05660 -0.19950 0.18870 0.01830 O12 0.05310 -0.05490 0.18740 0.01740 O13 -0.01070 -0.20590 0.31930 0.02200 O14 -0.01620 -0.04890 0.31780 0.02130 O15 0.10050 -0.12560 0.44121 0.02150 O16 0.29110 -0.20090 0.43590 0.01920 O17 0.17750 -0.27860 0.31430 0.02090 O18 0.28640 -0.04400 0.43500 0.02000 O19 0.16780 0.02960 0.31110 0.01990 O20 0.36620 -0.19470 0.30950 0.01770 O21 0.36110 -0.05050 0.30770 0.01600 O22 0.42740 -0.04380 0.17800 0.01990 O23 0.43330 -0.20050 0.18020 0.02170 O24 0.31740 -0.12390 0.05489 0.02380 O25 0.24030 0.03020 0.18190 0.01780 O26 0.13210 -0.20540 0.06090 0.02380 O27 0.12740 -0.04870 0.06060 0.02120 O28 0.25010 -0.27920 0.18510 0.02160 O29 0.38670 0.03150 -0.11120 0.04400 O30 0.37410 0.21510 -0.12250 0.03800 O31 -0.13940 0.24600 0.09800 0.04000 O32 -0.10750 0.05220 0.10080 0.04140 O33 -0.38400 0.12860 0.07650 0.04340 O34 -0.00710 0.14880 0.25510 0.04910 O35 -0.27630 0.21870 0.24230 0.04400 O36 -0.22990 0.02910 0.24810 0.03800 O37 -0.12030 0.12310 0.40460 0.03900 O38 -0.50300 0.10200 0.25210 0.04700 O39 -0.34140 0.00250 0.41060 0.04760 O40 -0.37790 0.19550 0.40150 0.04300 O41 0.17600 0.13020 0.59230 0.07100 O42 0.09070 0.15580 0.11000 0.04710 O43 0.09420 -0.39930 0.10800 0.05180 H29A 0.38200 -0.01280 -0.09700 0.03000 H29B 0.44500 0.04600 -0.12300 0.08000 H30A 0.42700 0.20300 -0.14000 0.06000 H30B 0.39300 0.26150 -0.11800 0.04000 H31A -0.07800 0.26600 0.11800 0.04000 H31B -0.12800 0.25300 0.05700 0.03000 H32A -0.11500 0.04000 0.05630 0.00800 H32B -0.07500 0.02500 0.12100 0.02000 H33A -0.35800 0.14100 0.04100 0.08000 H33B -0.43300 0.16300 0.06600 0.17000 H34A 0.04700 0.12000 0.27300 0.03000 H34B 0.02000 0.19100 0.26500 0.05000 H35A -0.33700 0.24200 0.22400 0.02000 H35B -0.24300 0.24400 0.28000 0.01800 H36A -0.27800 0.00200 0.21800 0.06000 H36B -0.16800 0.00900 0.27000 0.11000 H37A -0.06200 0.10500 0.39600 0.04000 H37B -0.10100 0.12300 0.45200 0.08000 H38A -0.51000 0.06500 0.22600 -0.00900 H38B -0.56000 0.12900 0.23600 0.07000 H39A -0.38700 -0.03300 0.40900 0.02400 H39B -0.32700 0.01900 0.45400 0.10000 H40A -0.35500 0.18600 0.44700 0.08000 H40B -0.41300 0.23500 0.38200 0.09000 H41A 0.21300 0.08800 0.59600 0.12000 H41B 0.11800 0.12600 0.60800 0.12000 H42A 0.13600 0.12000 0.13100 0.00800 H42B 0.08800 0.16700 0.06470 0.11000 H43A 0.06400 -0.44000 0.08700 0.33000 H43B 0.14900 -0.37100 0.12900 0.19000 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 V1 0.01980 0.02520 0.01180 -0.00100 0.00140 -0.00010 V2 0.01650 0.02340 0.01750 -0.00110 0.00350 0.00050 V3 0.02490 0.02060 0.01840 -0.00280 0.00650 0.00310 V4 0.02360 0.02110 0.01750 0.00110 0.00630 -0.00090 V5 0.02630 0.02370 0.01690 -0.00020 0.00650 0.00470 V6 0.02820 0.02140 0.01890 0.00110 0.00790 -0.00260 V7 0.01870 0.02060 0.01510 0.00050 0.00470 0.00010 V8 0.01870 0.01990 0.01440 -0.00010 0.00290 0.00040 V9 0.02050 0.01540 0.01540 -0.00040 0.00290 -0.00100 V10 0.01960 0.01330 0.01760 0.00010 0.00430 0.00010 Na1 0.03550 0.05600 0.02720 0.00210 0.00950 0.00380 Na2 0.03220 0.02910 0.03430 0.00570 0.01070 -0.00280 Na3 0.03250 0.03280 0.03180 0.00380 0.00830 -0.00360 O1 0.02000 0.03300 0.01800 -0.00100 -0.00050 0.00100 O2 0.01610 0.02700 0.02400 0.00050 -0.00090 -0.00100 O3 0.03400 0.02600 0.02700 -0.00300 0.00700 0.00600 O4 0.02800 0.02700 0.02800 0.00340 0.01100 -0.01200 O5 0.03800 0.03400 0.02400 -0.00300 0.01200 0.00900 O6 0.04200 0.03400 0.02900 0.00700 0.01500 -0.00700 O7 0.01600 0.03100 0.02300 -0.00100 0.00210 0.00000 O8 0.02010 0.02930 0.01820 -0.00220 0.00040 -0.00330 O9 0.01970 0.01600 0.01100 0.00270 0.00230 0.00300 O10 0.01700 0.01700 0.01600 0.00340 0.00390 -0.00170 O11 0.02000 0.01800 0.01700 -0.00400 0.00390 -0.00110 O12 0.01500 0.02500 0.01100 -0.00180 0.00070 0.00290 O13 0.02700 0.02100 0.01700 0.00400 0.00400 0.00100 O14 0.01700 0.02300 0.02400 0.00100 0.00630 -0.00500 O15 0.02300 0.02500 0.01700 -0.00100 0.00600 -0.00300 O16 0.02500 0.01800 0.01300 -0.00050 0.00220 0.00350 O17 0.02000 0.02000 0.02100 -0.00300 0.00400 0.00000 O18 0.01800 0.02500 0.01900 -0.00300 0.00700 0.00000 O19 0.02200 0.01400 0.02300 -0.00080 0.00400 -0.00100 O20 0.02100 0.01500 0.01500 0.00050 0.00270 -0.00420 O21 0.01900 0.01500 0.01400 -0.00130 0.00310 -0.00440 O22 0.01700 0.02500 0.01800 0.00130 0.00520 0.00080 O23 0.02400 0.01900 0.02300 0.00300 0.00760 0.00000 O24 0.02700 0.02900 0.01700 0.00100 0.00800 -0.00100 O25 0.01800 0.01800 0.01800 -0.00180 0.00550 0.00100 O26 0.02700 0.02800 0.01400 -0.00220 0.00390 -0.00420 O27 0.02400 0.02400 0.01500 -0.00290 0.00280 0.00200 O28 0.02600 0.01800 0.01900 0.00000 0.00270 -0.00300 O29 0.04000 0.04200 0.05800 0.00200 0.02600 0.01200 O30 0.03600 0.04300 0.03900 0.00200 0.01600 -0.00400 O31 0.04600 0.03900 0.03100 -0.01400 0.00400 -0.00300 O32 0.05800 0.04200 0.02200 0.02600 0.00800 0.00400 O33 0.04100 0.06200 0.03000 0.00500 0.01400 0.00100 O34 0.03700 0.02800 0.06500 0.00200 -0.01400 -0.00800 O35 0.03100 0.04900 0.04400 0.01800 -0.00300 -0.01800 O36 0.03700 0.04200 0.03100 0.00700 0.00300 -0.00600 O37 0.03300 0.05400 0.02900 0.01100 0.00700 -0.00300 O38 0.04900 0.02600 0.05400 0.01000 -0.00500 -0.01200 O39 0.06300 0.04600 0.03100 -0.02700 0.00900 -0.00200 O40 0.05900 0.04300 0.02100 0.02400 0.00200 -0.00200 O41 0.06100 0.08400 0.07900 0.00600 0.03500 0.00200 O42 0.05300 0.04000 0.04300 0.01200 0.00600 0.01700 O43 0.05500 0.04000 0.05500 0.00000 0.00700 -0.00200