American Mineralogist Crystal Structure Database

1 matching records for this search.

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
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Total number of retrieved datasets: 1
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