Rakovanite Duraisamy T, Ramanan A, Vittal J J Crystal Engineering 3 (2000) 237-250 Novel self-assembled decavanadate clusters forming 1D molecular chains and 2D molecular arrays: [HMTA-H...H2O][HMTA-CH2OH][H3V10O28{Na(H2O)4}]*4H2O and [Na2(H2O)10] [H3V10O28 {Na(H2O)2}]*3H2O Locality: Synthetic _database_code_amcsd 0018393 12.0627 17.1745 18.2094 90 106.340 90 P2_1/n atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) V1 .06648 -.12886 .10308 .0165 .0239 .0110 -.0008 .0012 -.0002 V2 -.01350 -.12706 .24949 .0130 .0227 .0148 -.0011 .0029 .0006 V3 .13058 -.21563 .39479 .0210 .0190 .0153 -.0023 .0062 .0028 V4 .12477 -.03541 .39360 .0210 .0185 .0157 .0014 .0069 -.0024 V5 .28563 -.03411 .10030 .0230 .0212 .0144 -.0009 .0061 .0036 V6 .29433 -.21380 .10282 .0248 .0212 .0152 .0014 .0064 -.0030 V7 .43409 -.12123 .24687 .0138 .0189 .0134 .0003 .0036 .0003 V8 .35254 -.12237 .39303 .0152 .0190 .0105 .0005 .0014 -.0004 V9 .21210 -.22024 .24858 .0161 .0126 .0125 -.0005 .0027 -.0001 V10 .20660 -.02909 .24743 .0160 .0118 .0123 .0002 .0026 .0009 O1 -.0686 -.13099 .05349 .055 .072 .068 -.004 .024 -.004 O2 -.1452 -.12819 .19663 .041 .038 .036 .0040 .0054 .0048 O3 .1058 -.28460 .44779 .044 .037 .048 -.0003 .0002 .0035 O4 .0954 .03230 .44616 .0314 .0278 .0243 .0052 .0104 -.0065 O5 .3110 .03434 .04752 .0346 .0309 .0269 -.0027 .0117 .0112 O6 .3261 -.28208 .05169 .041 .032 .0262 .0058 .0101 -.0091 O7 .5666 -.12015 .29933 .0167 .0291 .0238 .0006 .0029 -.0006 O8 .4865 -.11944 .44376 .0175 .0293 .0185 .0005 -.0006 -.0004 O9 .2436 -.12496 .18513 .0176 .0159 .012 -.0008 .0048 -.0008 O10 .1734 -.12476 .31158 .0139 .0165 .0115 -.0009 .0028 .0007 O11 .0567 -.19961 .18826 .0165 .0175 .0130 -.0034 .0022 -.0009 O12 .0529 -.05496 .18689 .0142 .0179 .0140 .0010 .0026 .0005 O13 -.0110 -.20522 .31901 .0185 .0221 .0178 -.0033 .0058 .0020 O14 -.0160 -.04849 .31758 .0153 .0228 .0205 .0022 .0054 -.0015 O15 .1006 -.12537 .44118 .0193 .0254 .0164 -.0001 .0073 .0002 O16 .2912 -.20129 .43570 .0208 .0185 .0115 .0009 .0018 .0023 O17 .1772 -.27918 .31403 .0208 .0173 .0170 -.0016 .0038 .0013 O18 .2869 -.04385 .43422 .0196 .0189 .0160 -.0009 .0028 -.0026 O19 .1683 .02974 .31132 .0207 .0150 .0184 .0013 .0057 -.0016 O20 .3662 -.19488 .30973 .0161 .0145 .0129 .0002 .0016 .0005 O21 .3619 -.05028 .30799 .0139 .0144 .0135 -.0021 .0038 -.0005 O22 .4283 -.04405 .17769 .0171 .0201 .0181 -.0012 .0068 .0009 O23 .4338 -.20077 .18013 .0197 .0211 .0176 .0035 .0057 -.0013 O24 .3178 -.12430 .05524 .0248 .0271 .0159 .0004 .0087 .0007 O25 .2406 .02986 .18197 .0206 .0169 .0187 -.0008 .0053 .0026 O26 .1322 -.20516 .06076 .0238 .0241 .0142 -.0002 .0032 -.0041 O27 .1276 -.04867 .06025 .0203 .0249 .0126 .0005 .0022 .0043 O28 .2497 -.27936 .18481 .0218 .0177 .0175 -.0005 .0055 -.0015 Na1 .28209 .12437 -.06493 .0322 .0548 .0275 .0030 .0112 .0052 O29 .3863 .0314 -.1111 .037 .045 .049 .0035 .0235 .0077 O30 .3742 .2149 -.1233 0 .031 .045 .042 -.0011 .0175 -.0074 Na2 -.19280 .13969 .16890 0 .0280 .0316 .0286 .0045 .0095 -.0021 Na3 -.31026 .10681 .32565 0 .0279 .0370 .0262 .0050 .0072 -.0029 O31 -.1380 .2466 .0975 0 .050 .035 .033 -.0134 .0060 -.0057 O32 -.1070 .0520 .10114 0 .049 .040 .0189 .0189 .0040 .0000 O33 -.3830 .1296 .0774 0 .039 .057 .0274 .0113 .0153 .003 O34 -.0059 .1489 .2553 0 .035 .031 .064 .0076 -.0120 -.0122 O35 -.2771 .2182 .2427 0 .030 .043 .040 .0144 .0018 -.0138 O36 -.2295 .0295 .2480 0 .036 .034 .036 .0098 .0068 -.0048 O37 -.1200 .1238 .40460 0 .0286 .059 .0284 .0112 .0093 .000 O38 -.5040 .1019 .2517 0 .037 .028 .046 .0046 -.0085 -.0070 O39 -.3414 .0026 .4099 0 .059 .049 .024 -.022 .0086 -.0094 O40 -.3786 .1956 .4017 0 .054 .042 .024 .0214 .0024 -.0022 H1 .3927 -.0122 -.0970 .071 H2 .4399 .0416 -.1252 .071 H3 .3851 .2588 -.1106 .071 H4 .4303 .2003 -.1336 .071 H5 -.1204 .2321 .0616 .071 H6 -.0975 .2833 .1122 .071 H7 -.0716 .0172 .1246 .071 H8 -.1167 .0422 .0578 .071 H9 -.3770 .1348 .0357 .071 H10 -.4339 .1574 .0803 .071 H11 .0498 .1234 .2650 .071 H12 .0063 .1844 .2830 .071 H13 -.3385 .2338 .2287 .071 H14 -.2349 .2462 .2693 .071 H15 -.1734 .0056 .2645 .071 H16 -.2761 .0012 .2221 .071 H17 -.1065 .1204 .4495 .071 H18 -.0647 .1176 .3926 .071 H19 -.5293 .1380 .2273 .071 H20 -.5170 .0641 .2280 .071 H21 -.3301 .0140 .4522 .071 H22 -.3962 -.0235 .3976 .071 H23 -.4124 .2298 .3796 .071 H24 -.3442 .2063 .4422 .071 O41 .1725 .1293 .5924 .0633 H25 .2191 .1644 .5961 .071 H26 .2083 .0902 .5948 .071 O42 .0916 .1542 .1095 .0395 H27 .1514 .1284 .1242 .071 H28 .0943 .1717 .0684 .071 O43 .0938 -.3992 .1083 .0457 H29 .1489 -.3714 .1288 .071 H30 .1044 -.4404 .1304 .071