American Mineralogist Crystal Structure Database

3 matching records for this search.

Giacovazzoite
 
Biagioni C, Bindi L, Mauro D, Pasero M
 
Physics and Chemistry of Minerals 47 (2020) 7
Crystal-chemistry of sulfates from the Apuan Alps (Tuscany, Italy).
IV. Giacovazzoite, K5Fe3+3O(SO4)6(H2O)9*H2O, the natural analogue of the -Maus's salt
and its dehydration product
Note: T = 100 K
Locality: the Monte Arsiccio mine, Apuan Alps, Tuscany, Italy
_database_code_amcsd 0020910
9.4480 18.3183 17.9825 90 92.274 90 P2_1/c
atom      x      y      z   Uiso U(1,1) U(2,2) U(3,3) U(1,2)  U(1,3)  U(2,3)
K1   .54415 .15573 .24416 .01300  .0140  .0119  .0130 -.0008  -.0005  -.0003
K2   .63785 .22595 .03564 .01687  .0195  .0104  .0202 -.0009  -.0054   .0010
K3   .26611 .10184 .04798 .01583  .0197  .0110  .0167 -.0018  -.0005  -.0025
K4   .12505 .20433 .27235 .01689  .0143  .0103  .0258  .0028  -.0028   .0006
K5   .32617 .11271 .44081 .01598  .0211  .0116  .0153  .0010   .0016   .0021
Fe1  .31621 .41663 .25801 .00789  .0090 .00540 .00925 .00017 -.00064 -.00021
Fe2  .63609 .40773 .34320 .00819  .0090 .00558 .00984 .00021 -.00081  .00020
Fe3  .59944 .39646 .15778 .00847  .0094 .00609 .00986 .00054 -.00017 -.00016
S1   .39126 .52165 .39297 .00851  .0098  .0056  .0100  .0002  -.0005  -.0008
S2   .39806 .29491 .38371 .00901  .0104  .0058  .0107 -.0004  -.0006   .0011
S3   .78161 .52346 .24106 .00932  .0101  .0058  .0120 -.0006  -.0003   .0002
S4   .81673 .29379 .24349 .00920  .0094  .0061  .0120  .0007  -.0003   .0003
S5   .36450 .51371 .10715 .00941  .0118  .0066  .0098  .0011  -.0011   .0004
S6   .31440 .29483 .12870 .00908  .0100  .0061  .0109  .0006  -.0019  -.0014
O1    .3331 .51081 .31504  .0106  .0128  .0083  .0106  .0011  -.0018  -.0017
O2    .5094 .46856 .40712  .0120  .0126  .0109  .0124  .0015  -.0011  -.0007
O3    .2797 .50662 .44520  .0124  .0149  .0094  .0131 -.0007   .0009  -.0011
O4    .4442 .59605 .40020  .0133  .0159  .0077  .0160 -.0029  -.0019  -.0007
O5    .3076 .35512 .35081  .0108  .0127  .0081  .0116  .0025   .0005   .0010
O6    .5500 .31631 .37780  .0136  .0095  .0098  .0215  .0000  -.0003   .0061
O7    .3680 .28700 .46209  .0145  .0183  .0140  .0114  .0000   .0005   .0037
O8    .3743 .22766 .34214  .0146  .0191  .0062  .0181  .0001  -.0037  -.0019
O9    .7352 .50089 .31633  .0124  .0180  .0078  .0116 -.0034   .0023  -.0003
O10   .7679 .45952 .18991  .0104  .0111  .0068  .0131 -.0005  -.0005  -.0016
O11   .9320 .54472 .24815  .0122  .0117  .0085  .0163 -.0014  -.0010   .0002
O12   .6962 .58470 .21386  .0128  .0142  .0067  .0172  .0011  -.0028   .0003
O13   .7938 .34690 .30513  .0128  .0121  .0127  .0136  .0024   .0006  -.0033
O14   .6979 .30248 .18645  .0119  .0119  .0084  .0152  .0017  -.0021  -.0005
O15   .9524 .31061 .21054  .0126  .0105  .0096  .0178  .0005   .0012  -.0006
O16   .8143 .21918 .27127  .0140  .0165  .0059  .0194 -.0004  -.0012   .0032
O17   .5112 .48214 .10742  .0134  .0127  .0136  .0142  .0025   .0027   .0056
O18   .2841 .47660 .16563  .0130  .0122  .0144  .0124  .0006   .0005   .0012
O19   .2937 .50093 .03541  .0132  .0170  .0114  .0109 -.0024  -.0022   .0004
O20   .3787 .59139 .12256  .0165  .0227  .0073  .0193  .0000  -.0025  -.0014
O21   .4500 .33140 .10840  .0146  .0116  .0181  .0142 -.0031   .0020  -.0050
O22   .2710 .32571 .20116  .0115  .0134  .0091  .0123 -.0026   .0016  -.0038
O23   .2070 .31122 .07069  .0140  .0131  .0139  .0147  .0031  -.0039  -.0019
O24   .3376 .21723 .13912  .0176  .0297  .0078  .0151  .0030  -.0022  -.0014
O25   .5174 .40817 .25241  .0097  .0102  .0091  .0097  .0014  -.0016   .0007
OW26  .0990 .42464 .27070  .0113  .0092  .0085  .0161  .0006  -.0004  -.0008
OW27  .7620 .40300 .43961  .0130  .0140  .0114  .0133  .0018  -.0023  -.0024
OW28  .7038 .38409 .05968  .0127  .0138  .0127  .0117  .0010   .0012   .0016
OW29 -.0024  .0701  .1013  .0388   .031   .053  .0310 -.0108  -.0090   .0135
OW30  .9195  .2133  .0743  .0414   .038   .037   .048  .0012  -.0072  -.0034
OW31  .9775 .40551 .05600  .0163  .0126  .0151  .0212  .0018   .0008   .0031
OW32  .9556 .55378 .08561  .0210  .0245  .0181  .0208  .0013   .0054  -.0002
OW33  .9251 .72919 .07272  .0196  .0172  .0197  .0219  .0009  -.0009  -.0006
OW34  .9614 .88056 .06621  .0172  .0156  .0149  .0214 -.0024   .0043  -.0046
OW35  .7890 .20698 .42857  .0180  .0186  .0176  .0177 -.0043  -.0016   .0050
H261   .049   .387   .246    .05
H262   .057   .463   .244    .06
H271   .751   .438   .478    .07
H272   .861   .403   .433    .05
H281   .804   .384   .059   .022
H282   .717   .427   .032    .06
H291  -.009   .065  .1543    .06
H292  -.088   .052   .075    .08
H311   .055   .381   .076   .015
H321   .024   .565   .051    .06
H322   .023   .564   .124   .027
H331   .882   .732  .0248   .046
H332   .020   .719   .060   .024
H341   .970  .8296   .069    .07
H342   .926   .904   .107   .037
H351   .795   .225  .3796   .036
H352   .715   .173   .430    .11
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Giacovazzoite
 
Biagioni C, Bindi L, Mauro D, Pasero M
 
Physics and Chemistry of Minerals 47 (2020) 7
Crystal-chemistry of sulfates from the Apuan Alps (Tuscany, Italy).
IV. Giacovazzoite, K5Fe3+3O(SO4)6(H2O)9*H2O, the natural analogue of the beta-Maus's salt
and its dehydration product
Note: this is the dehydration product
Locality: the Monte Arsiccio mine, Apuan Alps, Tuscany, Italy
_database_code_amcsd 0020911
9.3434 18.1838 17.7702 90 96.3810 90 P2_1/c
atom       x      y      z  occ   Uiso U(1,1) U(2,2) U(3,3)  U(1,2) U(1,3)  U(2,3)
K1    .55650 .84207 .76151       .0365  .0339  .0347  .0433   .0113  .0151   .0094
K2    .27207 .90066 .55594       .0395  .0426  .0291  .0439  -.0001 -.0084  -.0007
K3   -.02767 .58115 .58788       .0450  .0292  .0601  .0461  -.0003  .0063  -.0059
K4    .11402 .79981 .76534      .03553  .0312  .0294  .0468  -.0093  .0082  -.0090
K5    .64975 .36493 .54456       .0381  .0571  .0343  .0229  -.0071  .0045   .0050
Fe1   .56907 .61233 .65050      .01664  .0164  .0179  .0161 -.00180 .00401  .00019
Fe2   .63071 .57991 .83765      .01672  .0164  .0168  .0170  .00009 .00195 -.00016
Fe3   .29839 .57544 .75005      .01542  .0147 .01621  .0157 -.00046 .00309  .00102
S1    .80510 .70179 .75223      .01870  .0145  .0162  .0255  -.0008  .0030  -.0008
S2    .75928 .47444 .71903      .01904  .0174  .0149  .0251   .0003  .0038  -.0033
S3    .39696 .69216 .88385      .01937  .0234  .0164  .0187   .0015  .0045  -.0030
S4    .38529 .46467 .88228      .01936  .0203  .0182  .0199  -.0005  .0037   .0046
S5    .27470 .70938 .62761      .02076  .0214  .0193  .0220   .0035  .0045   .0064
S6    .32355 .49373 .58553      .01990  .0241  .0189  .0168  -.0032  .0026  -.0029
O1     .6737 .70170 .69662       .0214  .0218  .0173  .0242  -.0008 -.0015   .0016
O2     .7891 .64201 .80783       .0249  .0210  .0272  .0261  -.0032  .0003   .0045
O3     .9317 .68510 .71410       .0275  .0193  .0259  .0391   .0018  .0106   .0036
O4     .8171 .77248 .78935       .0314  .0260  .0224  .0444   .0004 -.0022  -.0099
O5     .7376 .54268 .67220       .0208  .0195  .0183  .0256   .0006  .0066   .0002
O6     .7237 .49055 .79691       .0297  .0445  .0216  .0232   .0115  .0043   .0003
O7     .6691 .41538 .68744       .0303  .0336  .0226  .0341  -.0119  .0008  -.0030
O8     .9108 .45447 .72189       .0352  .0192  .0259  .0602   .0038  .0030  -.0037
O9     .5504 .66726 .88537       .0279  .0185  .0275  .0370   .0010  .0006  -.0129
O10    .3026 .63321 .84662       .0211  .0224  .0208  .0206  -.0021  .0051  -.0036
O11    .3635 .70198 .96052       .0334  .0406  .0391  .0220  -.0001  .0101  -.0093
O12    .3793 .75932 .84056       .0332  .0431  .0192  .0359  -.0005 -.0020   .0050
O13    .5137 .51325 .89751       .0248  .0224  .0294  .0218  -.0070 -.0011   .0061
O14    .3221 .47805 .80257       .0212  .0244  .0171  .0212  -.0028 -.0008   .0038
O15    .2803 .48320 .93375       .0305  .0284  .0393  .0257   .0029  .0122   .0074
O16    .4316 .38846 .88853       .0318  .0381  .0198  .0364   .0029 -.0016   .0080
O17    .2347 .66591 .69347       .0270  .0251  .0277  .0299   .0054  .0105   .0136
O18    .4184 .68387 .60981       .0277  .0198  .0364  .0272   .0069  .0046   .0121
O19    .2820 .78540 .64863       .0500   .082  .0196  .0551   .0017  .0374   .0037
O20    .1701 .69439 .56290       .0452  .0272   .079  .0271   .0015 -.0061   .0088
O21    .2578 .51420 .65486       .0292  .0281  .0380  .0223  -.0105  .0062  -.0099
O22    .4591 .53696 .58388       .0281  .0297  .0328  .0225  -.0142  .0060  -.0072
O23    .2229 .51228 .51982       .0309  .0317  .0381  .0214  -.0014 -.0038   .0009
O24    .3585 .41604 .58644       .0336  .0439  .0199  .0370  -.0021  .0037  -.0016
O25    .4997 .58791 .74460       .0162  .0143  .0181  .0165  -.0015  .0035   .0018
OW26   .6759 .64076 .55703       .0257  .0340  .0219  .0232  -.0041  .0123  -.0013
OW27   .7768 .56492 .93241       .0277  .0212  .0431  .0179  -.0042 -.0013   .0071
OW28   .0845 .56524 .76442       .0268  .0137  .0225  .0442  -.0005  .0035   .0029
OW29   .7107 .78216 .52828       .0414   .055  .0319  .0369   .0033  .0046   .0060
OW30   .0527  .6041 .93631       .0638  .0278   .124  .0393  -.0100  .0016   .0071
O31A   .0425  .7304  .4176 .741  .0895   .062   .158   .046    .009  -.008    .018
O31B   .0040  .6413  .4145 .259  .0895   .062   .158   .046    .009  -.008    .018
OW32  -.0202  .8660  .6190 .520   .085   .055   .117   .081    .011   .006    .011
H261    .682  .6917   .549        .094
H262    .668   .620  .5087        .078
H271    .870   .587   .933        .076
H272    .756   .552  .9809        .073
H281    .028  .5248   .755        .080
H282    .012   .598   .757        .073
H291    .658   .805   .563        .082
H292    .676   .794  .4791        .080
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Giacovazzoite
 
Mereiter K, Vollenkle H
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=34&spage=378
Acta Crystallographica B34 (1978) 378-384
Die Kristallstruktur von beta-pentakalium-[mu3-oxo-hexa-mu-sulfato-
triquatriesen(III)]-Heptahydrat - eine monokline Modifikation des
Masschen Salzes
Locality: synthetic
_database_code_amcsd 0019784
9.491 18.474 18.109 90 92.38 90 P2_1/c
atom      x      y      z  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
K1   .54292 .15530 .24569        .0285  .0360  .0244 -.0051  .0002  .0003
K2   .63730 .22467 .03809        .0394  .0307  .0434 -.0011 -.0044  .0022
K3   .27069 .10196 .04945        .0368  .0319  .0356 -.0026 -.0014 -.0058
K4   .12321 .20390 .27225        .0363  .0321  .0708  .0119 -.0155 -.0026
K5   .32772 .11218 .44202        .0513  .0339  .0310  .0033  .0082  .0067
Fe1  .31502 .41637 .25680        .0123  .0138  .0108  .0008 -.0003 -.0009
Fe2  .63302 .40832 .34178        .0125  .0147  .0116  .0005 -.0008 -.0004
Fe3  .59817 .39747 .15754        .0136  .0164  .0111  .0014 -.0001 -.0003
S1   .38938 .52069 .39218        .0177  .0146  .0135  .0004 -.0002 -.0032
S2   .39733 .29594 .38248        .0176  .0142  .0164 -.0014  .0004  .0035
S3   .77980 .52338 .24094        .0162  .0145  .0192 -.0015  .0002 -.0009
S4   .81386 .29505 .24462        .0131  .0166  .0183  .0013 -.0001  .0006
S5   .36347 .51355 .10713        .0194  .0170  .0149  .0028 -.0026  .0014
S6   .31755 .29533 .12788        .0183  .0154  .0160  .0007 -.0025 -.0037
O1    .3285  .5085  .3160        .0272  .0160  .0136  .0040 -.0066 -.0031
O2    .5077  .4688  .4052        .0187  .0292  .0145  .0052  .0000 -.0055
O3    .2825  .5064  .4456        .0216  .0290  .0178 -.0003  .0043 -.0029
O4    .4414  .5941  .3977        .0354  .0166  .0278 -.0045 -.0046 -.0024
O5    .3059  .3545  .3486        .0208  .0189  .0147  .0025  .0023  .0043
O6    .5477  .3170  .3754        .0187  .0248  .0369  .0014  .0004  .0163
O7    .3698  .2900  .4601        .0335  .0481  .0163  .0062  .0038  .0094
O8    .3737  .2282  .3436        .0398  .0173  .0385  .0023 -.0085 -.0063
O9    .7305  .5007  .3149        .0340  .0242  .0178 -.0122  .0066 -.0026
O10   .7646  .4613  .1893        .0189  .0208  .0199 -.0015  .0030 -.0026
O11   .9297  .5423  .2490        .0197  .0280  .0297 -.0033 -.0020 -.0012
O12   .6989  .5852  .2148        .0242   .022  .0371  .0019  .0010  .0017
O13   .7914  .3482  .3047        .0176  .0271  .0163  .0053 -.0029 -.0028
O14   .6980  .3045  .1866        .0212  .0171  .0242  .0041 -.0079 -.0030
O15   .9500  .3100  .2138        .0167  .0297  .0327 -.0001  .0029 -.0046
O16   .8067  .2217  .2720        .0359  .0206  .0348  .0033 -.0030  .0007
O17   .5076  .4815  .1064        .0228  .0375  .0281  .0084  .0088  .0129
O18   .2849  .4779  .1659        .0229  .0405  .0196  .0045 -.0001  .0106
O19   .2903  .5008  .0365        .0383  .0332  .0146 -.0035 -.0056 -.0014
O20   .3795  .5897  .1220        .0474  .0221  .0441  .0040 -.0144 -.0040
O21   .4503  .3320  .1080        .0188  .0529  .0244 -.0084  .0026 -.0178
O22   .2719  .3266  .1990        .0274  .0237  .0194 -.0060  .0028 -.0107
O23   .2119  .3101  .0696        .0222  .0436  .0226  .0039 -.0109 -.0053
O24   .3430  .2191  .1387        .0767  .0207  .0291  .0097 -.0073 -.0073
O25   .5153  .4089  .2513        .0132  .0194  .0113  .0030  .0000 -.0006
O26   .1000  .4241  .2677        .0110  .0243  .0344  .0005 -.0023  .0012
O27   .7591  .4042  .4382        .0253  .0410  .0153  .0082 -.0033 -.0081
O28   .7053  .3854  .0605        .0278  .0266  .0158  .0043  .0049  .0039
O29   .0033  .0688  .0992        .0573  .1369  .0725 -.0167 -.0219  .0473
O30   .9186  .2125  .0773        .0948  .0931  .1040  .0137 -.0194 -.0393
O31   .9814  .4050  .0607        .0330  .0362  .0711  .0063  .0049  .0043
O32   .9607  .5567  .0865        .0777  .0809  .0532 -.0048  .0212  .0128
O33   .9283  .7310  .0725        .0451  .0730  .0560  .0118 -.0019 -.0129
O34   .9627  .8835  .0670        .0278  .0552  .0463 -.0032  .0069  .0010
O35   .7819  .2085  .4299        .0443  .0437  .0351 -.0214 -.0066  .0133
H1     .051   .458   .259 .0507
H2     .059   .387   .249 .0507
H3     .741   .436   .473 .0507
H4     .855   .400   .431 .0507
H5     .708   .422   .040 .0507
H6     .818   .376   .061 .0507
H7     -.08   .042   .081  .076
H8     .024   .050   .151  .076
H9     .923   .242   .120  .076
H10    .948   .163   .089  .076
H11    .057   .373   .083  .076
H12   -.001   .440   .073  .076
H13    .002   .579   .135  .076
H14    .990   .588   .055  .076
H15    .895   .735   .021  .076
H16    .022   .717   .071  .076
H17    .918   .902   .099  .076
H18    .947   .831   .072  .076
H19    .787   .229   .388  .076
H20    .749   .171   .422  .001
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View JMOL 3-D Structure (permalink)
 
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Total number of retrieved datasets: 3
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