|
Rakovanite |
| |
Kampf A R, Hughes J M, Marty J, Gunter M E, Nash B |
| |
The Canadian Mineralogist 49 (2011) 595-604 |
|
Rakovanite, Na3{H3[V10O28]}*15H2O, a new member of the |
|
pascoite family with a protonated decavanadate polyanion |
|
Locality: Synthetic |
|
_database_code_amcsd 0018383 |
|
12.0248 17.121 18.140 90 106.242 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 .06629 -.12903 .10294 .0195 .0198 .0252 .0118 -.0010 .0014 -.0001 |
|
V2 -.01357 -.12711 .24943 .0194 .0165 .0234 .0175 -.0011 .0035 .0005 |
|
V3 .13092 -.21570 .39482 .0212 .0249 .0206 .0184 -.0028 .0065 .0031 |
|
V4 .12453 -.03548 .39361 .0206 .0236 .0211 .0175 .0011 .0063 -.0009 |
|
V5 .28535 -.03402 .10014 .0222 .0263 .0237 .0169 -.0002 .0065 .0047 |
|
V6 .29434 -.21384 .10274 .0226 .0282 .0214 .0189 .0011 .0079 -.0026 |
|
V7 .43406 -.12108 .24686 .0182 .0187 .0206 .0151 .0005 .0047 .0001 |
|
V8 .35254 -.12222 .39303 .0181 .0187 .0199 .0144 -.0001 .0029 .0004 |
|
V9 .21232 -.22040 .24850 .0175 .0205 .0154 .0154 -.0004 .0029 -.0010 |
|
V10 .20634 -.02923 .24729 .0170 .0196 .0133 .0176 .0001 .0043 .0001 |
|
Na1 .28198 .12442 -.06503 .0394 .0355 .0560 .0272 .0021 .0095 .0038 |
|
Na2 -.19310 .13984 .16880 .0316 .0322 .0291 .0343 .0057 .0107 -.0028 |
|
Na3 -.30959 .10623 .32547 .0325 .0325 .0328 .0318 .0038 .0083 -.0036 |
|
O1 -.0685 -.1316 .05411 .0246 .020 .033 .018 -.001 -.0005 .001 |
|
O2 -.1445 -.1279 .19691 .0238 .0161 .027 .024 .0005 -.0009 -.001 |
|
O3 .1063 -.2848 .4479 .0295 .034 .026 .027 -.003 .007 .006 |
|
O4 .0949 .0321 .4462 .0271 .028 .027 .028 .0034 .011 -.012 |
|
O5 .3102 .0344 .0477 .0315 .038 .034 .024 -.003 .012 .009 |
|
O6 .3261 -.2819 .0520 .0341 .042 .034 .029 .007 .015 -.007 |
|
O7 .5663 -.1197 .29885 .0238 .016 .031 .023 -.001 .0021 -.000 |
|
O8 .4860 -.1193 .44337 .0236 .0201 .0293 .0182 -.0022 .0004 -.0033 |
|
O9 .2438 -.1249 .18500 .0160 .0197 .0160 .0110 .0027 .0023 .003 |
|
O10 .1733 -.1244 .31152 .0166 .017 .017 .016 .0034 .0039 -.0017 |
|
O11 .0566 -.1995 .1887 .0183 .020 .018 .017 -.0040 .0039 -.0011 |
|
O12 .0531 -.0549 .1874 .0174 .015 .025 .011 -.0018 .0007 .0029 |
|
O13 -.0107 -.2059 .3193 .022 .027 .021 .017 .004 .004 .001 |
|
O14 -.0162 -.0489 .3178 .0213 .017 .023 .024 .001 .0063 -.005 |
|
O15 .1005 -.1256 .44121 .0215 .023 .025 .017 -.001 .006 -.003 |
|
O16 .2911 -.2009 .4359 .0192 .025 .018 .013 -.0005 .0022 .0035 |
|
O17 .1775 -.2786 .3143 .0209 .020 .020 .021 -.003 .004 .000 |
|
O18 .2864 -.0440 .4350 .020 .018 .025 .019 -.003 .007 .000 |
|
O19 .1678 .0296 .3111 .0199 .022 .014 .023 -.0008 .004 -.001 |
|
O20 .3662 -.1947 .3095 .0177 .021 .015 .015 .0005 .0027 -.0042 |
|
O21 .3611 -.0505 .3077 .0160 .019 .015 .014 -.0013 .0031 -.0044 |
|
O22 .4274 -.0438 .1780 .0199 .017 .025 .018 .0013 .0052 .0008 |
|
O23 .4333 -.2005 .1802 .0217 .024 .019 .023 .003 .0076 -.000 |
|
O24 .3174 -.1239 .05489 .0238 .027 .029 .017 .001 .008 -.001 |
|
O25 .2403 .0302 .1819 .0178 .018 .018 .018 -.0018 .0055 .001 |
|
O26 .1321 -.2054 .0609 .0238 .027 .028 .014 -.0022 .0039 -.0042 |
|
O27 .1274 -.0487 .0606 .0212 .024 .024 .015 -.0029 .0028 .0020 |
|
O28 .2501 -.2792 .1851 .0216 .026 .018 .019 -.000 .0027 -.003 |
|
O29 .3867 .0315 -.1112 .044 .040 .042 .058 .002 .026 .012 |
|
O30 .3741 .2151 -.1225 .038 .036 .043 .039 .002 .016 -.004 |
|
O31 -.1394 .2460 .0980 .040 .046 .039 .031 -.014 .004 -.003 |
|
O32 -.1075 .0522 .1008 .0414 .058 .042 .022 .026 .008 .004 |
|
O33 -.3840 .1286 .0765 .0434 .041 .062 .030 .005 .014 .001 |
|
O34 -.0071 .1488 .2551 .0491 .037 .028 .065 .002 -.014 -.008 |
|
O35 -.2763 .2187 .2423 .044 .031 .049 .044 .018 -.003 -.018 |
|
O36 -.2299 .0291 .2481 .038 .037 .042 .031 .007 .003 -.006 |
|
O37 -.1203 .1231 .4046 .039 .033 .054 .029 .011 .007 -.003 |
|
O38 -.5030 .1020 .2521 .047 .049 .026 .054 .010 -.005 -.012 |
|
O39 -.3414 .0025 .4106 .0476 .063 .046 .031 -.027 .009 -.002 |
|
O40 -.3779 .1955 .4015 .043 .059 .043 .021 .024 .002 -.002 |
|
O41 .1760 .1302 .5923 .071 .061 .084 .079 .006 .035 .002 |
|
O42 .0907 .1558 .1100 .0471 .053 .040 .043 .012 .006 .017 |
|
O43 .0942 -.3993 .1080 .0518 .055 .040 .055 .000 .007 -.002 |
|
H29A .382 -.0128 -.097 .03 |
|
H29B .445 .046 -.123 .08 |
|
H30A .427 .203 -.140 .06 |
|
H30B .393 .2615 -.118 .04 |
|
H31A -.078 .266 .118 .04 |
|
H31B -.128 .253 .057 .03 |
|
H32A -.115 .040 .0563 .008 |
|
H32B -.075 .025 .121 .02 |
|
H33A -.358 .141 .041 .08 |
|
H33B -.433 .163 .066 .17 |
|
H34A .047 .120 .273 .03 |
|
H34B .020 .191 .265 .05 |
|
H35A -.337 .242 .224 .02 |
|
H35B -.243 .244 .280 .018 |
|
H36A -.278 .002 .218 .06 |
|
H36B -.168 .009 .270 .11 |
|
H37A -.062 .105 .396 .04 |
|
H37B -.101 .123 .452 .08 |
|
H38A -.510 .065 .226 -.009 |
|
H38B -.560 .129 .236 .07 |
|
H39A -.387 -.033 .409 .024 |
|
H39B -.327 .019 .454 .10 |
|
H40A -.355 .186 .447 .08 |
|
H40B -.413 .235 .382 .09 |
|
H41A .213 .088 .596 .12 |
|
H41B .118 .126 .608 .12 |
|
H42A .136 .120 .131 .008 |
|
H42B .088 .167 .0647 .11 |
|
H43A .064 -.440 .087 .33 |
|
H43B .149 -.371 .129 .19 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
|
| |
|
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 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
|
| |
