American Mineralogist Crystal Structure Database

10 matching records for this search.

Argesite
 
Demartin F, Campostrini I, Castellano C, Gramaccioli C M
 
American Mineralogist 97 (2012) 1446-1451
Argesite, (NH4)7Bi3Cl16, a new mineral from La Fossa Crater, Vulcano,
Aeolian Islands, Italy: A first example of the [Bi2Cl10]4- anion
Locality: La Fossa Crater, Vulcano, Aeolian Islands, Italy
_database_code_amcsd 0019257
13.093 13.093 102.682 90 90 120 R-3c
atom      x      y        z  occ   Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Bi1  .66697 .66628  .061525      .03218 .01539 .04562 .02683 .00872 -.0005 -.0010
Bi2     1/3    2/3  .001711      .02618 .03031 .03031 .01793 .01515      0      0
Bi3     1/3    2/3      1/6      .03851 .01684 .01684  .0818 .00842      0      0
Cl1  .42424 .53716  .061762       .0338  .0268  .0458  .0356  .0233  .0014  .0010
Cl2  .90924 .77942  .061746       .0333  .0270  .0286  .0325  .0051  .0014 -.0019
Cl3  .66682 .50816  .044966       .0392  .0154  .0379  .0571  .0079  .0004 -.0304
Cl4  .66707 .79390  .042206 .778  .0623  .0869  .0590  .0483  .0421  .0003  .0141
Br4  .66707 .79390  .042206 .222  .0623  .0869  .0590  .0483  .0421  .0003  .0141
Cl5     2/3 .51733     1/12       .0310  .0219  .0304  .0378  .0111 -.0009 -.0004
Cl6     2/3 .81028     1/12 .686  .0573  .0930  .0482  .0456  .0465 -.0031 -.0015
Br6     2/3 .81028     1/12 .314  .0573  .0930  .0482  .0456  .0465 -.0031 -.0015
Cl7  .37243 .51729  .015372 .667  .0865  .0721  .0598  .1442  .0456  .0129  .0151
Br7  .37243 .51729  .015372 .333  .0865  .0721  .0598  .1442  .0456  .0129  .0151
Cl8  .34075 .83637 -.015537       .0458  .0466  .0532  .0509  .0351 -.0084 -.0028
Cl9  .19199 .47653   .18176       .0843  .0406  .0367  .1736  .0177  .0183 -.0044
N1    .3378  .9918  .011783       .0460
H1    .3378  .9918  .011783    4  .0460
N2      2/3 1.0491     1/12 .643  .0426
H2      2/3 1.0491     1/12 2.57  .0426
K2      2/3 1.0491     1/12 .357  .0426
N3   .33370 .95776 -.038254 .738  .0395
H3   .33370 .95776 -.038254 2.95  .0395
K3   .33370 .95776 -.038254 .262  .0395
N4      1/3    2/3   .04085 .508  .0735
H4      1/3    2/3   .04085 2.03  .0735
K4      1/3    2/3   .04085 .492  .0735
N5      1/3    2/3   .08236       .0252
H5      1/3    2/3   .08236    4  .0252
N6        0      0   .04037       .0461
H6        0      0   .04037    4  .0461
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Coquimbite
Download hom/coquimbite.pdf
Demartin F, Castellano C, Gramaccioli C M, Campostrini I
 
The Canadian Mineralogist 48 (2010) 323-333
Aluminum-for-iron substitution, hydrogen bonding,
and a novel structure-type in coquimbite-like minerals
Locality: La Alcaparrosa, Chile
_database_code_amcsd 0006334
10.9370 10.9370 17.0813 90 90 120 P-31c
atom       x       y       z  occ   Uiso U(1,1) U(2,2) U(3,3) U(1,2)  U(1,3)  U(2,3)
Al1        0       0       0 .761 .01350 .01171 .01171 .01707 .00586       0       0
Fe1        0       0       0 .239 .01350 .01171 .01171 .01707 .00586       0       0
Fe2      1/3     2/3     .25      .01147 .01087 .01087 .01265 .00544       0       0
Fe3      2/3     1/3 .002498      .01703 .01800 .01800 .01508 .00900       0       0
S    .244809 .415175 .123067      .01412 .01402 .01139 .01586 .00554 -.00059 -.00226
O1    .31847  .34563  .09110      .02376 .02056 .01930  .0325 .01076 -.00008 -.00920
O2    .10858  .31136  .15507      .02223 .01748 .01813  .0239 .00352  .00309  .00037
O3    .21976  .49418  .06020      .02146 .02232 .01950 .01972 .00832 -.00414  .00171
O4    .33579  .51624  .18451      .01732 .01841 .01524 .01858 .00861 -.00413 -.00573
OW1   .16668  .07066  .06225      .02367 .02285 .01619  .0306 .00870 -.00893 -.00207
OW2   .44922  .11635  .20994      .03175  .0313  .0268  .0314 .01032  .00318 -.00226
OW3   .57200  .16221  .07123      .02949 .03932 .02753  .0273 .02098  .01408  .01067
H11    .1851   .0205   .0924        .085
H12    .2264   .1545   .0760        .073
H21    .3722   .0384   .2091        .040
H22a   .5068   .1020   .2363  .50   .044
H22b   .4342   .1729   .2362  .50   .034
H31    .5930   .0987   .0751        .060
H32    .5317   .1528   .1142        .041
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Coquimbite
Download hom/coquimbite.pdf
Demartin F, Castellano C, Gramaccioli C M, Campostrini I
 
The Canadian Mineralogist 48 (2010) 323-333
Aluminum-for-iron substitution, hydrogen bonding,
and a novel structure-type in coquimbite-like minerals
Locality: the Dexter No. 7 mine, Calf Mesa, San Rafael Swell, Utah, USA
_database_code_amcsd 0006335
10.9170 10.9170 17.0829 90 90 120 P-31c
atom       x       y       z occ   Uiso U(1,1) U(2,2) U(3,3) U(1,2)  U(1,3)  U(2,3)
Al1        0       0       0     .01316 .01100 .01100  .0175 .00550       0       0
Fe2      1/3     2/3     1/4     .01144 .01042 .01042 .01348 .00521       0       0
Fe3      2/3     1/3 .002517     .01706 .01755 .01755 .01608 .00877       0       0
S    .244517 .414763 .122984     .01394 .01348 .01082 .01620 .00508 -.00077 -.00228
O1    .31821  .34525  .09071     .02331  .0195  .0187  .0328 .01033  -.0003  -.0094
O2    .10820  .31058  .15487     .02144  .0170  .0170  .0235 .00338   .0030  -.0002
O3    .21931  .49404  .06011     .02054  .0219  .0182  .0189 .00809  -.0036   .0013
O4    .33546  .51568  .18451     .01702  .0182  .0150  .0181 .00852  -.0042 -.00564
OW1   .16438  .06998  .06151     .02145  .0201  .0150  .0278 .00764  -.0087  -.0017
OW2   .44923  .11635  .20975      .0308  .0290  .0259  .0317  .0094   .0029  -.0030
OW3   .57172  .16237  .07102     .02932  .0388  .0275  .0275 .02090   .0137   .0098
H11    .1831   .0150   .0869       .063
H12    .2194   .1551   .0745       .050
H21    .3735   .0379   .2063       .040
H22a   .5162   .1104   .2314  .5   .056
H22b   .4202   .1623   .2356  .5   .075
H31    .5968   .1011   .0728       .055
H32    .5318   .1471   .1152       .063
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Coquimbite
Download hom/coquimbite.pdf
Demartin F, Castellano C, Gramaccioli C M, Campostrini I
 
The Canadian Mineralogist 48 (2010) 323-333
Aluminum-for-iron substitution, hydrogen bonding,
and a novel structure-type in coquimbite-like minerals
Note: sample vulc1
Locality: Alum Grotto, Vulcano, Aeolian Islands, Sicily, Italy
_database_code_amcsd 0006336
10.9100 10.9100 17.0625 90 90 120 P-31c
atom       x       y       z occ   Uiso U(1,1) U(2,2) U(3,3) U(1,2)  U(1,3) U(2,3)
Al1        0       0       0     .01276 .01039 .01039  .0175 .00520       0      0
Fe2      1/3     2/3     .25     .01068 .00999 .00999 .01206 .00500       0      0
Fe3      2/3     1/3 .002502     .01723 .01792 .01792 .01584 .00896       0      0
S    .244618 .414813 .122883     .01328 .01313 .01027 .01524 .00495 -.00073  .0241
O1    .31831  .34528  .09069     .02288  .0198  .0181  .0321 .01051  -.0001 -.0099
O2    .10784  .31042  .15472     .02127  .0165  .0175  .0230 .00328   .0032 -.0003
O3    .21952  .49428  .06010     .02057  .0212  .0194  .0183 .00812  -.0044  .0012
O4    .33561  .51557  .18440     .01649  .0180  .0146  .0179 .00896  -.0040 -.0055
OW1   .16433  .06986  .06158     .02104  .0198  .0141  .0280 .00756  -.0084 -.0016
OW2   .44934  .11625  .20976      .0307  .0292  .0263  .0308  .0095   .0034 -.0022
OW3   .57197  .16249  .07096     .02909  .0386  .0275  .0276 .02129   .0136  .0100
H11    .1828   .0143   .0866       .063
H12    .2182   .1551   .0749       .058
H21    .3721   .0379   .2081       .042
H22a   .5170   .1125   .2319  .5   .041
H22b   .4203   .1621   .2362  .5   .090
H31    .5964   .1003   .0732       .052
H32    .5298   .1448   .1145       .067
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Aluminocoquimbite
 
Demartin F, Castellano C, Gramaccioli C M, Campostrini I
 
The Canadian Mineralogist 48 (2010) 323-333
Aluminum-for-iron substitution, hydrogen bonding,
and a novel structure-type in coquimbite-like minerals
Note: sample vulc2
Locality: Alum Grotto, Vulcano, Aeolian Islands, Sicily, Italy
_database_code_amcsd 0006337
10.7065 10.7065 17.3077 90 90 120 P-31c
atom      x      y       z occ   Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Fe1       0      0       0     .01458 .01610 .01610  .0115 .00805      0      0
Fe2       0      0     .25     .01099 .01102 .01102 .01092 .00551      0      0
Al3     2/3    1/3 -.00824     .01503  .0127  .0127  .0196 .00636      0      0
S    .25531 .16880 .124832     .01293 .01124 .01361 .01375 .00607 .00157 .00182
O1   .17500 .06030  .06406      .0191  .0186  .0233  .0161  .0110 -.0024 -.0042
O2   .36509 .14054  .15622      .0203  .0175  .0252  .0217  .0132 -.0015  .0023
O3   .32365 .31459  .09212      .0220  .0188  .0174  .0297  .0091  .0088  .0099
O4   .15347 .15841  .18631     .01637  .0153  .0158  .0161  .0062  .0050  .0010
OW1  .56588 .16639  .05370      .0214  .0192  .0197  .0279  .0118  .0062  .0075
OW2  .45162 .33483  .79333      .0299  .0246  .0331  .0326  .0147  .0019  .0042
OW3  .50030 .26571 -.06857      .0230  .0190  .0182  .0276  .0062 -.0064  .0010
H11    .508   .159   .0888       .049
H12    .610   .121   .0659       .051
H21    .378   .345   .7951       .055
H22a   .511   .403    .765  .5   .039
H22b   .438   .266    .765  .5   .043
H31    .491   .295  -.1129       .051
H32    .435  .1770  -.0672       .070
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Cossaite
 
Demartin F, Gramaccioli C M, Campostrini I, Castellano C
 
Mineralogical Magazine 75 (2011) 2847-2855
Cossaite, (Mg0.5,_)Al6(SO4)6(HSO4)F6*36H2O, a new mineral
from La Fossa crater, Vulcano, Aeolian Islands, Italy
Locality: La Fossa crater, Vulcano, Aeolian Islands, Italy
Note: H atom in HSO4 group was not located
_database_code_amcsd 0018525
22.010 22.010 9.238 90 90 120 R-3
atom      x      y      z occ   Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Mg      1/3    2/3    7/6  .5  .0840  .0455  .0455   .161  .0228      0      0
Al   .37501 .87307 .35346     .01662  .0141  .0188  .0161  .0075 -.0001  .0005
S1   .21195 .95870 .16739     .01769  .0189  .0191  .0168  .0108 -.0022 -.0014
S2      1/3    2/3 .69198  .5  .0211  .0195  .0195  .0241  .0098      0      0
O1   .14732 .95419 .22260      .0351  .0236  .0408  .0463  .0202 -.0024 -.0154
O2   .24997 .02178 .07647      .0380  .0471  .0205  .0273  .0026 -.0099  .0042
O3   .19434 .89589 .08023      .0250  .0372  .0232  .0190  .0185  .0017 -.0032
O4   .25714 .96364 .28903      .0287  .0318  .0483  .0164  .0279 -.0056 -.0053
O5      1/3    2/3  .8511  .5  .0560  .0667  .0667  .0344  .0334      0      0
O6   .30686 .71231  .6401  .5  .0349  .0359  .0337  .0431  .0233  .0044  .0063
F    .32848 .79736 .24892      .0319  .0272  .0239  .0378  .0078  .0023 -.0094
Ow1  .45582 .90169 .23929      .0263  .0207  .0250  .0290  .0082  .0092 -.0016
Ow2  .34841 .92446 .23172      .0272  .0369  .0428  .0160  .0304  .0021  .0043
Ow3  .42288 .95598 .46392      .0241  .0280  .0224  .0163  .0085 -.0021 -.0017
Ow4  .40817 .82981 .48384      .0368  .0262  .0502  .0410  .0242  .0059  .0229
Ow5  .29490 .84390 .47033      .0258  .0178  .0326  .0215  .0086  .0052  .0006
Wat6 .34139 .74857  .0290      .0382  .0480  .0469  .0315  .0326 -.0096 -.0120
H1a   .4606  .8681  .1844       .067
H1b   .4992  .9437   .241       .063
H2a   .3579  .9368  .1326       .106
H2b   .3107  .9327   .247       .095
H3a   .4316  .9653  .5639       .060
H3b   .4218  .9988   .454       .073
H4a   .3722  .7927  .5360       .110
H4b   .4516  .8311   .474       .121
H5a   .2577  .7973   .461       .054
H5b   .2925  .8632  .5596       .057
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Dansite-(Mn)
 
Demartin F, Campostrini I, Castellano C, Gramaccioli C M, Russo M
 
Mineralogical Magazine 76 (2012) 2773-2783
D'ansite-(Mn), Na21Mn2+(SO4)10Cl3 and d'ansite-(Fe), Na21Fe2+(SO4)10Cl3,
two new minerals from volcanic fumaroles
Locality: Vesuvius, Naples, Italy
_database_code_amcsd 0019747
15.9291 15.9291 15.9291 90 90 90 I-43d
atom      x      y      z  occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Na1  .88363 .37538 .84843      .0235  .0216  .0241  .0247  .0049  .0034  .0044
Na2       0    .25  .0442       .080   .176   .048  .0154  -.045      0      0
Na3  .07623 .57623 .92377 .873 .0356  .0356  .0356   .356  .0039 -.0039 -.0039
Mn3  .07623 .57623 .92377 .127 .0356  .0356  .0356   .356  .0039 -.0039 -.0039
S1   .01843     .5    .75      .0137  .0114  .0172  .0125      0      0  .0007
S2   .96021 .46021 .03979      .0150  .0150  .0150  .0150  .0011 -.0011 -.0011
O1   -.0337  .4269  .7295      .0270  .0238  .0248  .0326 -.0077 -.0035 -.0044
O2    .0727  .5211  .6784      .0322  .0340  .0305  .0320  .0011  .0210  .0066
O3    .9134  .4767 -.0372      .0479   .068   .045   .031   .023  -.025 -.0081
O4    .9078  .4078  .0923       .085   .085   .085   .085  -.030   .030   .030
Cl        0    .25   .875      .0184  .0191  .0191  .0170      0      0      0
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Dansite-(Fe)
 
Demartin F, Campostrini I, Castellano C, Gramaccioli C M, Russo M
 
Mineralogical Magazine 76 (2012) 2773-2783
D'ansite-(Mn), Na21Mn2+(SO4)10Cl3 and d'ansite-(Fe), Na21Fe2+(SO4)10Cl3,
two new minerals from volcanic fumaroles
Locality: La Fossa crater, Vulcano, Aeolian Islands, Italy
_database_code_amcsd 0019748
15.882 15.882 15.882 90 90 90 I-43d
atom       x      y       z  occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Na1   .88098 .37440  .84834      .0243  .0236  .0239  .0252  .0014  .0017  .0024
Na2        0    .25  .04293      .0689   .152  .0371  .0180 -.0320      0      0
Na3   .08027 .58027  .91973 .870 .0454  .0454  .0454  .0454  .0027 -.0027 -.0027
Fe3   .08027 .58027  .91973 .130 .0454  .0454  .0454  .0454  .0027 -.0027 -.0027
S1    .01852     .5     .75      .0171  .0102  .0240  .0172      0      0  .0034
S2    .96103 .46103  .03897      .0164  .0164  .0164  .0164  .0018 -.0018 -.0018
O1   -.03390 .42636  .73325      .0274  .0194  .0323  .0305 -.0101  .0027  .0005
O2    .07233 .51656  .67692      .0372  .0355  .0312  .0449  .0076  .0243  .0132
O3    .91376 .47536 -.03641      .0596  .0887  .0642  .0259  .0365 -.0257 -.0094
O4    .90884 .40884  .09116      .1002  .1002  .1002  .1002 -.0308  .0308  .0308
Cl         0    .25    .875      .0208  .0244  .0244  .0136      0      0      0
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Aluminopyracmonite
 
Demartin F, Castellano C, Campostrini I
 
Mineralogical Magazine 77 (2013) 443-451
Aluminopyracmonite, (NH4)3Al(SO4)3, a new ammonium aluminium sulfate
from La Fossa crater, Vulcano, Aeolian Islands, Italy
Note: z coordinate of Al2 has been changed from 1/6
Locality: La Fossa crater, Vulcano, Aeolian Islands, Italy
_database_code_amcsd 0019924
15.0324 15.0324 8.8776 90 90 120 R-3
atom      x      y      z  occ   Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
N1   .26073 .09755 .05993       .0259  .0249  .0230  .0297  .0119  .0049 -.0029
H1    .2330  .0949  .0210        .083
H2    .3052  .0405  .0609        .057
H3    .2812  .1340  .0593        .080
H4    .2247  .1034  .1300        .065
Al1     2/3    1/3    1/3      .01316 .01596 .01596  .0076 .00798      0      0
Al2     2/3    1/3    5/6      .01003 .01000 .01000  .0101 .00500      0      0
S1   .52228 .17358 .08077      .01605 .01542 .01439 .01444 .00453 .00068 .00109
O1   .54994 .24610 .04809      .01907  .0173  .0198  .0205 .00907  .0034  .0064
O2a  .41032 .11292 .08097 .673  .0263  .0186  .0213  .0297  .0029  .0048  .0025
O2b  .41553 .13008 .12312 .327  .0351  .0155  .0419  .0354  .0048  .0095  .0153
O3a  .55285 .24001 .21654 .673  .0229  .0250  .0289  .0146  .0134 -.0046 -.0054
O3b  .59127 .21516 .21467 .327  .0250  .0313  .0211  .0146  .0069 -.0048 -.0033
O4a  .57239 .11529 .07087 .673  .0286  .0320  .0224  .0377  .0182  .0050  .0056
O4b  .54211 .08949 .02667 .327  .0301  .0465  .0180  .0284  .0181 -.0088 -.0030
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Therasiaite
 
Demartin F, Castellano C, Campostrini I
 
Mineralogical Magazine 78 (2014) 203-213
Therasiaite, (NH4)3KNa2Fe2+Fe3+(SO4)3Cl5, a new sulfate chloride
from La Fossa Crater, Vulcano, Aeolian islands, Italy
Locality: La Fossa Crater, Vulcano, Aeolian islands, Italy
_database_code_amcsd 0020043
18.284 12.073 9.535 90 108.10 90 Cc
atom      x      y       z   occ   Uiso U(1,1) U(2,2) U(3,3)  U(1,2) U(1,3)  U(2,3)
Fe1  .61710 .24642  .30691       .01405 .01113  .0145  .0172 -.00246 .00536 -.00070
Fe2  .78831 .16054  .13411       .01475  .0169  .0128  .0152 -.00146 .00578 -.00209
S1   .47523 .07746  .31396       .01514  .0108  .0204  .0138  -.0039  .0031   .0018
S2   .76294 .40549  .28569       .01261  .0113  .0093  .0177  -.0016  .0051  -.0001
S3   .77323 .09989  .46880       .01358  .0183  .0104  .0124   .0026  .0054   .0017
O1   .53705  .1328   .2652        .0272  .0256  .0334  .0284  -.0194  .0170  -.0120
O2    .4079  .1480   .2522   .70  .0559   .020   .065   .080    .021   .011    .038
O3    .4931  .0760   .4714   .70  .0320   .035   .054  .0091   -.022  .0088  -.0037
O4    .4662 -.0346   .2548   .70  .0456   .072   .029   .049   -.033   .038   -.025
O2'   .4038  .0790   .1987   .30   .033
O3'   .4691  .1313    .441   .30   .070
O4'   .5021 -.0326    .328   .30   .084
O5   .70649  .3489   .3467        .0186  .0180  .0189  .0206  -.0069  .0087  -.0006
O6   .80393  .3215   .2249        .0227  .0198  .0217  .0304  -.0018  .0135  -.0104
O7   .81787  .4604   .4110        .0228  .0183  .0187  .0311  -.0070  .0070  -.0123
O8   .72171  .4824   .1702        .0301  .0285  .0226  .0351   .0024  .0041   .0181
O9   .68928  .1269   .4232        .0228  .0182  .0240  .0270   .0033  .0082   .0079
O10  .79577  .0777   .3360        .0306  .0388  .0400  .0173   .0173  .0150   .0066
O11  .81836  .1890   .5545        .0306  .0288  .0229  .0326   .0008 -.0014  -.0085
O12   .7838 -.0009   .5568        .0361  .0471  .0196  .0390   .0059  .0098   .0175
Cl1  .93292 .16126  .19391       .02456  .0175  .0283  .0282   .0027  .0075  -.0037
Cl2  .64268 .17794  .08040       .01930  .0165  .0249  .0174  -.0007  .0066  -.0002
Cl3  .59703 .31622  .51999       .02348  .0263  .0255  .0214  -.0031  .0114  -.0068
Cl4  .76610 .24305 -.11708       .02282  .0233  .0274  .0186  -.0007  .0076   .0035
Cl5  .53540 .38191  .15459       .02331  .0194  .0218  .0264   .0037  .0038   .0008
Na1  .77669 .35490  .62489        .0242  .0283  .0212  .0243   .0031  .0102  -.0028
Na2  .88338 .38624  .05359        .0285  .0268  .0262  .0310  -.0038  .0070   .0064
N1   .62181  .4170  -.1233  .738  .0544  .0537  .0499   .060   .0035  .0177   .0058
H1   .62181  .4170  -.1233 2.952  .0544  .0537  .0499   .060   .0035  .0177   .0058
K1   .62181  .4170  -.1233  .262  .0544  .0537  .0499   .060   .0035  .0177   .0058
N2   .62577  .0736   .7045  .839  .0370  .0381  .0240  .0415  -.0065  .0016   .0053
H2   .62577  .0736   .7045 3.356  .0370  .0381  .0240  .0415  -.0065  .0016   .0053
K2   .62577  .0736   .7045  .161  .0370  .0381  .0240  .0415  -.0065  .0016   .0053
N3   .91055 -.0961   .3440  .677  .0451  .0410  .0486  .0492   .0047  .0192   .0064
H3   .91055 -.0961   .3440 2.708  .0451  .0410  .0486  .0492   .0047  .0192   .0064
K3   .91055 -.0961   .3440  .323  .0451  .0410  .0486  .0492   .0047  .0192   .0064
K4   .94411 .31507  .46801        .0336  .0306  .0398  .0268   .0090  .0035  -.0015
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Total number of retrieved datasets: 10
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