American Mineralogist Crystal Structure Database

22 matching records for this search.

Sejkoraite-(Y)
 
Plasil J, Dusek M, Novak M, Cejka J, Cisarova I, Skoda R
 
American Mineralogist 96 (2011) 983-991
Sejkoraite-(Y), a new member of the zippeite group containing trivalent cations from
Jachymov (St. Joachimsthal), Czech Republic: Description and crystal structure refinement
Locality: Cervena vein, Jachymov (Street Joachimsthal) ore district, Western Bohemia, Czech Republic
_database_code_amcsd 0018390
14.0743 17.4174 17.7062 75.933 128.001 74.419 P-1
atom      x      y      z  occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
U1   .50569 .70517 .16924      .0166  .0330  .0195  .0216 -.0186  .0257 -.0153
U2   .49937 .04323 .33362      .0183  .0387  .0208  .0240 -.0216  .0295 -.0172
U3   .48709 .54890 .32956      .0220  .0475  .0254  .0274 -.0271  .0351 -.0201
U4   .51220 .78842 .34152      .0167  .0325  .0195  .0208 -.0182  .0249 -.0145
U5   .50218 .45656 .16629      .0185  .0367  .0205  .0237 -.0200  .0281 -.0164
U6   .42522 .81105 .79490      .0202  .0418  .0234  .0263 -.0230  .0323 -.0185
U7   .46742 .96710 .14252      .0204  .0438  .0246  .0280 -.0259  .0341 -.0206
U8   .57213 .26032 .37918      .0192  .0381  .0246  .0241 -.0226  .0295 -.0184
Y1   .94661 .13274 .11257 .761 .0259  .0305  .0312  .0239 -.0162  .0228 -.0151
Dy1  .94661 .13274 .11257 .239 .0259  .0305  .0312  .0239 -.0162  .0228 -.0151
Y2    .0013  .4481  .8098 .801  .048   .047   .071   .047  -.033   .040  -.037
Y3    .0544  .6227  .3662 .418  .029   .012   .027   .018  -.006   .004  -.004
S1    .5182  .3699  .0075       .015   .028   .011   .017  -.013   .019  -.010
S2    .5083  .1205  .5053       .013   .013   .015   .015  -.009   .010  -.009
S3    .5340  .1131  .0220       .019   .038   .015   .028  -.019   .029  -.018
S4    .4739  .6348  .4857       .024   .054   .022   .033  -.030   .039  -.023
O1    .7588  .1924  .4767       .023
O2    .3186  .1234  .1959       .024
O3    .2996  .6029  .2046       .020
O4    .6722  .4881  .4675       .028
O5    .3215  .5064  .0944       .027
O6    .6796  .4109  .2311       .026
O7    .6928  .6445  .2903       .027
O8    .3911  .3275  .2970       .031
O9    .3149  .7695  .0364       .022
O10   .5891  .0265  .6025       .022
O11   .2845  .0478  .0550       .026
O12   .2426  .8742  .6794       .024
O13   .6017  .7508  .9199       .029
O14   .3883  .6290  .3853       .022
O15   .6497  .8926  .2190       .022
O16   .3253  .8522  .2646       .020
O17   .6994  .7216  .4295       .023
O18   .6252  .2737  .1155       .023
O19   .5642  .5442  .5910       .023
O20   .6771 -.0379  .4730       .022
O21   .6314  .1137  .1251       .025
O22   .6208  .0413  .0253       .023
O23   .5759  .4018  .3405       .017
O24   .5684  .6608  .4890       .023
O25   .6194  .1372  .5261       .022
O26   .4265  .3655 -.0922       .022
O27   .5462  .1577  .3192       .019
O28   .5767  .0436  .2448       .019
O29   .4518  .8382  .1787       .016
O30   .5442  .3096  .2330       .017
O31   .4193  .1278  .3960       .023
O32   .3717  .7079  .4720       .020
O33   .4139  .1906  .4999       .017
O34   .5138  .5687  .2163       .017
O35   .4804  .6827  .2838       .020
O36   .4459  .2062 -.0836       .022
O37   .4349  .0945  .0169       .025
O38   .5043 -.0743  .2929       .019
O39   .6008  .4040  .0023       .023
O40   .4273  .4314  .0110       .022
Wat1   .075  .0190  .4302       .059
Wat2  .8792  .2873  .0812       .057
Wat3  .8817  .1349  .2038       .033
Wat4  .8595  .0572  .0190       .041
Wat5   .112   .317   .140       .126
Wat6  .0605  .8622  .1358       .055
Wat7   .884  .9194  .4089       .084
Wat8  .1416  .1227  .2702       .038
Wat9  .1408  .0439  .1425       .032
Wat10 .0875 -.0297  .2639       .039
Wat11 .9153  .2175 -.0350       .045
Wat12 -.143  .3930  .7186       .094
Wat13 -.149  .4847  .8350       .091
Wat14 -.154   .615   .705       .136
Wat15  .161   .339   .828       .160
Wat16  .134   .506   .819       .137
Wat17  .099  .2938   .961       .124
Wat18  .130  .6792   .503       .112
Wat19 -.130   .715   .320       .130
Wat20 .9124 -.0803  .2614       .055
Wat21  .095   .753   .302       .130
Wat22 -.116  .7579   .651       .123
Wat23  .906   .447   .375       .184
Wat24  .133   .450   .985       .190
Wat25  .077   .777   .633       .174
Wat26  .105  .4894   .378       .119
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Franckeite
Download hom/franckeite.pdf
Makovicky E, Petricek V, Dusek M, Topa D
 
American Mineralogist 96 (2011) 1686-1702
The crystal structure of franckeite, Pb21.7Sn9.3Fe4.0Sb8.1S56.9
Locality: San Jose, Bolivia
_database_code_amcsd 0018603
5.805 5.856 17.338 94.97 88.45 89.94 C-1
atom     x      y       z  occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Sn1    .25    .25       0  .57 .0259  .0357  .0082  .0344  .0004  .0082  .0005
Fe1    .25    .25       0  .43 .0259  .0357  .0082  .0344  .0004  .0082  .0005
S1   .2882  .6070  .08270      .0468   .090  .0156   .035  .0010   .006  .0007
Pb2 .63901 .97083 -.23153  .74 .0353  .0269  .0301  .0484 -.0008  .0000  .0010
Sn2 .63901 .97083 -.23153  .26 .0353  .0269  .0301  .0484 -.0008  .0000  .0010
Pb3 .17797 .95073 -.41250 .265 .0353  .0300  .0314  .0443  .0077  .0057  .0051
Sn3 .17797 .95073 -.41250 .735 .0353  .0300  .0314  .0443  .0077  .0057  .0051
S2   .1435  .9653  -.2660      .0354  .0207  .0236   .061  .0028  .0043  .0025
S3   .1349  .4239  -.4040      .0556   .058   .074   .033  -.028  .0047  -.005
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Adolfpateraite
 
Plasil J, Hlousek J, Veselovsky F, Fejfarova K, Dusek M,
Skoda R, Novak M, Cejka J, Sejkora J, Ondrus P
 
American Mineralogist 97 (2012) 447-454
Adolfpateraite, K(UO2)(SO4)(OH)(H2O), a new uranyl,
sulphate mineral from Jachymov, Czech Republic
Locality: Jachymov, Czech Republic
_database_code_amcsd 0018778
8.0462 7.9256 11.3206 90 107.726 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)
K     .0606  .5351 .29766  .0210  .0175  .0202  .0248   .0014  .0057   .0021
U    .57544 .39873 .29873 .01234 .01067 .01020 .01605 -.00011 .00391 -.00059
S     .2038  .2656 .03944  .0137  .0136  .0122  .0141   .0009  .0024   .0006
O1    .2158  .0791  .0607  .0193  .0185  .0127  .0226  -.0001  .0001   .0014
O2    .4336  .1436  .3097   .016  .0165  .0133  .0186  -.0007  .0071  -.0020
O3    .1482  .2038  .4062  .0210  .0225  .0228  .0152  -.0007  .0017  -.0031
O4    .7482  .3253  .2440  .0195  .0185  .0175  .0246   .0017  .0095  -.0051
O5    .4108  .4851  .3545  .0195  .0164  .0184  .0257   .0008  .0093  -.0020
O6    .3786  .3421  .0946   .022  .0212  .0200  .0195  -.0091 -.0001   .0007
O7    .0797  .3332  .0974  .0256  .0239  .0283  .0264   .0050  .0102  -.0034
O8    .2654  .7336  .0135  .0289  .0211  .0329  .0280   .0038  .0004  -.0125
H2a    .359   .137   .335   .022
H8a    .159   .695   .002  .0347
H8b    .325   .645   .008  .0347
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Weeksite
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Fejfarova K, Plasil J, Yang H, Cejka J, Dusek M, Downs R T, Barkley M C, Skoda R
 
American Mineralogist 97 (2012) 750-754
Revision of the crystal structure and chemical formula of weeksite,
K2(UO2)2(Si5O13)*4H2O
Locality: Anderson mine, Arizona, USA
_database_code_amcsd 0018760
14.1957 14.2291 9.6305 90 111.578 90 C2/m
atom        x       y      z  occ   Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
U1    .099331 .246786 .89678      .01189 .00807 .01867 .00959 .00057 .00403 .00072
K1     -.0707       0  .8602 .951  .0369  .0280  .0310   .057      0  .0224      0
K2      .2460       0  .8433 .930   .054   .058   .040   .089      0   .055      0
Si1         0   .3068     .5       .0166  .0133  .0244  .0121      0  .0046      0
Si2    .18748  .24984  .2495       .0116  .0094  .0180  .0080  .0011  .0038 -.0010
Si3    .29855  .10998  .5004       .0184  .0220  .0156  .0192 -.0011  .0095  .0000
O1      .4105   .1224  .4996        .033   .020   .030   .052  -.005   .018  -.002
O2      .0712   .2440  .1370        .023   .006   .055   .007   .000   .001  -.001
O3      .2472   .2551  .1367        .024   .009   .055   .009   .000   .005  -.001
O4      .0366   .2437  .6473        .023   .024   .037   .008   .003   .006   .006
O5      .2162   .1560  .3546        .027   .028   .026   .021  -.001   .002   .011
O6      .2705       0  .4998        .022   .029   .012   .029      0   .013      0
O7      .2892   .1573  .6467        .026   .036   .018   .027  -.003   .016  -.007
O8      .1020   .1201  .9055        .029   .035   .019   .040  -.001   .021   .001
O9      .0990   .3727  .8972        .032   .036   .020   .042  -.003   .016  -.003
Wat10   .4310       0  .8411        .053   .033   .040   .073      0   .005      0
Wat11  -.2624       0  .8441  .98   .059   .059   .052   .073      0   .034      0
Wat12       0       0     .5  .72   .036
Wat13       0   -.079     .5 .259   .036
Wat14  -.0464  -.0614   .602 .281   .036
Wat15  -.0917  -.0636   .398 .264   .036
Wat16   -.445       0   .702  .24   .024
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Pseudojohannite
 
Plasil J, Fejfarova K, Wallwork K S, Dusek M, Skoda R, Sejkora J, Cejka J,
Veselovsky F, Hlousek J, Meisser N, Brugger J
 
American Mineralogist 97 (2012) 1796-1803
Crystal structure of pseudojohannite, with a revised formula,
Cu3(OH)2[(UO2)4O4(SO4)2](H2O)12
Locality: White Canyon, Utah, USA
_database_code_amcsd 0019492
8.6744 8.8692 10.0090 72.105 70.544 76.035 P-1
atom       x      y      z  occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
U1    .42802 .34306 .46462      .0077  .0064  .0066  .0105 -.0020 -.0028 -.0013
U2    .09013 .67616 .47194      .0083  .0062  .0064  .0125 -.0023 -.0030 -.0011
Cu1       .5      0      0 .983 .0145   .018   .014   .012  .0011 -.0063 -.0052
Cu2   -.0072  .1684 -.0069 .977 .0167  .0143  .0165  .0161 -.0044  .0003 -.0027
S      .7502  .0037  .4954      .0103   .008   .009   .016  -.005  -.004 -.0019
Wat1   .5709  .0786  .1290       .017   .026   .017   .014  -.005  -.010  -.003
O2     .3516  .5917  .4981       .012
OH3   -.1183 -.0130  .1189       .018   .010   .025   .018  -.009  -.001  -.002
Wat4   .2056  .1178  .1158       .024   .023   .025   .022  -.005  -.007  -.003
O5     .1505  .4083  .5051       .010
O6     .4796  .4253  .2692       .016   .021   .013   .011   .002  -.004  -.006
Wat7    .311   .420   .062       .040   .042   .034   .046  -.007  -.022   .000
O8     .3804  .2360  .6585       .014   .015   .014   .011  -.001  -.004  -.004
Wat9   .4754 -.2140  .1374       .019   .021   .016   .018   .002  -.004  -.011
Wat10  -.160   .321  .1013       .031   .033   .028   .024  -.012   .005  -.004
O11    .1621  .7036  .2755       .016   .017   .015   .016  -.005  -.004   .000
O12    .6657  .1326  .3982       .016
Wat13  .1013  .3492 -.1471       .024   .023   .020   .025  -.004  -.001  -.005
O14    .0156  .6725  .6640       .019   .013   .025   .017  -.005  -.002   .000
O15    .7932  .0726  .5931       .015
O16    .6428 -.1150  .5913       .013
O17    .8984 -.0764  .4047       .014
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Cejkaite
 
Plasil J, Fejfarova K, Dusek M Skoda R, Rohlicek J
 
American Mineralogist 98 (2013) 549-553
Revision of the symmetry and the crystal structure of cejkaite, Na4(UO2)(CO3)3
Locality: Jachymov, Western Bohemia, Czech Republic
_database_code_amcsd 0019935
9.2919 16.0991 6.4436 90 91.404 90 Cc
atom      x      y      z   Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Na1    .437 -.0026   .073   .025   .026   .024   .025  -.003   .005   .001
Na2   .6545  .3473 -.1412   .022   .020   .012   .034  -.003   .000   .002
Na3   .3456  .2161 -.1967   .029   .012   .019   .056   .005   .002   .010
Na4   .3039  .4363  .7959   .026   .006   .019   .052  -.002   .003  -.003
U    .43392 .33354 .32192 .01095  .0090  .0080  .0159 -.0014  .0020 -.0001
C1     .634   .130  -.161   .019
C2     .023   .337  -.160   .017
C3     .643   .535  -.205   .023
O1     .236   .573   .872   .026
O2     .896   .311  -.137   .030
O3     .508  .1081  -.153   .024
O4     .064  .4098  -.160   .026
O5     .178  .1163  -.240   .018
O6     .682  .2049  -.165   .019
O7     .507  .5217   .823   .013
O8     .733  .4806  -.211   .020
O9     .116  .2748  -.193   .020
O10    .455   .334   .607   .010
O11    .438   .332   .030   .010
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Haiweeite
Download hom/haiweeite.pdf
Plasil J, Fejfarova K, Cejka J, Dusek M, Skoda R, Sejkora J
 
American Mineralogist 98 (2013) 718-723
Revision of the crystal structure and chemical formula of haiweeite, Ca(UO2)2(Si5O12)(OH)2*6H2O
Locality: Teofilo Otoni, Minas Gerais, Brazil
_database_code_amcsd 0019934
18.3000 14.2331 17.9192 90 90 90 Pbcn
atom        x      y       z occ   Uiso U(1,1) U(2,2) U(3,3) U(1,2)  U(1,3) U(2,3)
U1     .24799 .12566 .034427     .01044  .0202 .00590 .00521 .00036 -.00001 -.0003
U2     .25411 .37558  .13863     .00964  .0174 .00550  .0060 .00020  .00013 -.0006
Ca     .01502  .8775  .13941      .0328  .0235  .0358  .0391 -.0045   .0043 -.0085
Si1    .24794  .3757 -.03695      .0120  .0249  .0058  .0053  .0023  -.0043  -.001
Si2    .25733  .1249  .20948      .0155   .034  .0060  .0061 -.0011  -.0019   .000
Si3     .1518  .1765   .3346      .0188   .023  .0167   .016 -.0042  -.0017  .0033
Si4     .2257  .3761  .33566      .0162  .0308  .0096  .0083  -.001   .0002 -.0013
Si5     .6434  .0704   .1641      .0168   .024  .0146  .0116  .0015   .0011  .0015
O1      .3209  .3724  -.0906       .026
O2      .1575  .3700   .1472       .024
O3      .1874  .1228   .2640       .025
O4      .2445  .2879   .0201       .015
O5      .2532  .0383   .1541       .013
OH6     .0648  .1658   .3307       .033
O7      .3521  .3793   .1275      .0206
O8      .3295  .1240   .2613      .0233
O9      .2745  .3783   .2613       .025
OH10    .5547  .0806   .1601       .034
O11     .2494 -.0369   .0179       .016
O12     .2604  .2135   .1534       .020
O13     .1708  .2849   .3323       .029
O14     .2717  .3746   .4112       .026
O15     .1772  .3762  -.0930       .025
Wat16   .0480 1.0429   .1545       .062
O17     .1672  .4632   .3355       .029
Wat18  -.0796  .9273   .2290 .50   .066
Wat19  -.0940  .7925   .1114       .053
Wat20   .0474   .812   .0137 .50   .090
Wat20'  .0374   .874   .0080 .50   .090
Wat21   .0531  .7134   .1513 .50   .051
Wat21'  .0463  .7258   .1929 .50   .051
O22     .1504  .1248   .0458      .0226
O23     .3452  .1270   .0257      .0226
Wat24    .075  1.022  -.0745 .50   .086
Wat24'   .054  1.016  -.0446 .50   .086
Wat25    .470   .002    .056 .50   .147
Wat25'   .486  -.110    .160 .50   .147
Wat26    .458  -.206    .051 .50   .064
Wat26'   .451  -.181    .018 .50   .064
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Zippeite
Download hom/zippeite.pdf
Plasil J, Mills S J, Fejfarova K, Dusek M, Novak M, Skoda R, Cejka J, Sejkora J
 
The Canadian Mineralogist 49 (2011) 1089-1103
The crystal structure of natural zippeite, K1.85H+0.15[(UO2)4O2(SO4)2(OH)2](H2O)4,
from Jachymov, Czech Republic
Locality: Jachymov, Czech Republic
_database_code_amcsd 0018658
8.7802 13.9903 8.8630 90 104.524 90 C2/m
atom        x      y      z occ  Uiso
U      .32998 .23438 .32576     .0279
S          .5  .2579      0      .023
K1       .118     .5   .353 .24  .063
H1       .118     .5   .353 .04  .063
K2      -.067     .5  -.233 .68  .063
H2      -.067     .5  -.233 .04  .063
O1      .1233  .1800   .096      .031
O2       .435  .1961   .103      .032
O3       .303  .3556   .275      .041
O4       .353  .1107   .363      .039
O5       .102  .2369   .410  .5  .055
OH5      .102  .2369   .410  .5  .055
WatO6a   .061      0   .300 .47  .047
WatO6b   .074      0   .399 .53  .047
WatO7a   .225     .5  -.011 .75  .055
WatO7b   .334     .5   .015 .25  .055
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Kettnerite
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Hybler J, Dusek M
 
European Journal of Mineralogy 19 (2007) 411-418
Revision of the crystal structure of kettnerite CaBi[OFCO3]
Locality: Krupka, Czech Republic
_database_code_amcsd 0007224
5.3641 5.3641 13.5771 90 90 90 Pbaa
atom    x    y      z  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ca    .25    0  .4002  .008   .010   .003   .009   .001      0      0
Bi    .25    0 .09429 .0117  .0127  .0124  .0101  .0008      0      0
F    .019  .25     .5  .005
C     .25   .5  .2555  .016
O1   .003  .25      0  .005
O2    .25   .5  .1609  .021
O3   .383 .344  .2990  .009
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Natrite
Download hom/natrite.pdf
Dusek M, Chapuis G, Meyer M, Petricek V
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=59&spage=337
Acta Crystallographica B59 (2003) 337-352
Sodium carbonate revisited
Locality: synthetic
Sample: Gamma phase, T = 295 K
_database_code_amcsd 0009928
8.920 5.245 6.050 90 101.35 90 C2/m
atom      x      y      z   Uiso U(1,1) U(2,2) U(3,3)  U(1,2) U(1,3) U(2,3)
Na1       0      0      0 .01731 .01757 .01860 .01713       0 .00672      0
Na2       0      0     .5 .01673 .01919 .01561 .01686       0 .00714      0
Na3  .17055     .5 .74801 .02554 .02174 .02568  .0307       0 .00888      0
C    .16446     .5 .24914 .01155  .0111 .01219  .0119       0  .0037      0
O1   .10159 .29384 .28535 .02607  .0318 .01881  .0299 -.00956 .01172 .00055
O2   .28987     .5 .17757 .02274  .0148  .0324  .0237       0  .0104      0
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Natrite
Download hom/natrite.pdf
Dusek M, Chapuis G, Meyer M, Petricek V
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=59&spage=337
Acta Crystallographica B59 (2003) 337-352
Sodium carbonate revisited
Locality: synthetic
Sample: Delta phase, T = 110 K
_database_code_amcsd 0009929
8.898 5.237 5.996 90 101.87 90 C2/m
atom      x      y      z   Uiso U(1,1) U(2,2) U(3,3)  U(1,2) U(1,3) U(2,3)
Na1       0      0      0 .00886 .00927 .00910 .00885       0 .00338      0
Na2       0      0     .5 .00855 .01018 .00779 .00831       0 .00332      0
Na3  .17125     .5 .74784 .01267 .01204 .01238 .01448       0 .00482      0
C    .16454     .5 .24887 .00695  .0071 .00690  .0072       0 .00232      0
O1   .10175 .29345 .28667 .01312 .01620 .00969 .01463 -.00452 .00584 .00021
O2   .28941     .5 .17472 .01135 .00874 .01506  .0115       0 .00509      0
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Gustavite
Download hom/gustavite.pdf
Pazout R, Dusek M
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-2701&volume=65&spage=77
Acta Crystallographica C65 (2009) i77-i80
Natural monoclinic AgPb(Bi2Sb)S6, an Sb-rich gustavite,
Locality: Kutna Hora polymetallic deposit, Czech Republic
_database_code_amcsd 0017602
7.0455 19.5294 8.3412 90 107.446 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)
Ag1b  .8571 .36619  .2141      .0493   .058  .0400  .0456 -.0217  .0090 -.0017
Pb3  .36678 .24985 .34306      .0350  .0334  .0416  .0301 -.0021  .0096 -.0006
Bi1a .82041 .13967 .20339 .909 .0238  .0225  .0244  .0246 -.0011  .0073  .0006
Bi2b .26197 .45056 .06313 .739 .0242  .0272  .0213  .0229  .0000  .0055 -.0002
Sb2b .26197 .45056 .06313 .261 .0242  .0272  .0213  .0229  .0000  .0055 -.0002
Sb2a  .2793 .05451 .07319 .650 .0219  .0168  .0258  .0224  .0023  .0049 -.0008
Bi2a  .2793 .05451 .07319 .350 .0219  .0168  .0258  .0224  .0023  .0049 -.0008
S3    .6512  .2599  .1642       .025   .025   .029   .023  -.001   .009  -.001
S4b   .0924  .3331  .0084       .026   .030   .021   .028   .003   .010   .000
S1a   .5016  .4015  .3948       .029   .015   .031   .041  -.006   .009   .003
S4a   .0838  .1658  .0293       .025   .026   .020   .029   .007   .012   .006
S1b   .5089  .0969  .3582       .027   .011   .034   .034  -.006   .003   .005
S2    .9871  .4915  .2228       .030   .030   .030   .032   .010   .013   .001
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NaMg(H2PO3)3*H2O
 
Ouarsal R, Tahiri A A, Lachkar M, Dusek M, Fejfarova K, El Bali B
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=1600-5368&volume=59&spage=33
Acta Crystallographica E59 (2003) i33-i35
Sodium magnesium tris(dihydrogenphosphite) monohydrate, NaMg(H2PO3)3*H2O
_database_code_amcsd 0010399
14.8060 9.078 14.811 90 90 90 Pbca
atom      x       y       z   Uiso U(1,1) U(2,2) U(3,3)  U(1,2) U(1,3)  U(2,3)
Na1  .93245  .06142  .15732  .0264  .0296  .0227  .0267  -.0072 -.0136   .0078
Mg1  .95397  .44768  .16036 .01237  .0125  .0121  .0125  -.0001 -.0012  -.0003
P1   .88097  .73759  .27655 .01290  .0114  .0125  .0148 -.00014  .0011 -.00160
P2   .73601 -.03858  .03132 .01396  .0113  .0151  .0154 -.00106 .00093  -.0009
P3   .99216  .27043 -.03020 .01409  .0168  .0124  .0131 -.00101  .0023  -.0008
O1   .83022  .01936  .04050  .0219  .0133  .0309  .0214  -.0052  .0002   .0017
O2   .67081  .01163  .10360  .0206  .0162  .0228  .0228  -.0016  .0063  -.0041
O3   .93078  .88124  .27105  .0171  .0169  .0139  .0206  -.0016 -.0040   .0010
O4   .97033  .40461 -.08581  .0194  .0197  .0210  .0175   .0001  .0018   .0068
O5   .80042  .74139  .20597  .0243  .0158  .0230  .0340   .0058 -.0102  -.0110
O6   .97054  .27935  .06863  .0191  .0303  .0149  .0121  -.0022 -.0006   .0004
O7   .88190   .2877  .23950  .0211  .0146  .0288  .0199  -.0040 -.0009   .0034
O8   .93482  .59990  .26106  .0173  .0187  .0153  .0178   .0034 -.0048  -.0036
O9   .70170   .0047 -.06526  .0315  .0207  .0536  .0202  -.0060 -.0051   .0069
O10  .94366   .1322 -.07248  .0339  .0546  .0291  .0179  -.0240  .0122  -.0089
H1     .832    .289    .235   .047
H2    .7366   -.177   .0279   .020
H3    .8411    .726   .3515   .014
H4     .912    .093   -.039   .067
H5     .651   -.007   -.074   .051
H6    .0773    .244  -.0395   .019
H7     .895    .300    .296   .041
H8     .807    .660    .171   .052
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K2Co(HPO3)2*2H2O
 
Ouarsal R, Essehli R, Lachkar M, Zenkouar M, Dusek M, Fejfarova K, El Bali B
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=1600-5368&volume=60&spage=66
Acta Crystallographica E60 (2004) i66-i68
Dipotassium cobalt(II) bis(hydrogenphosphite) dihydrate, K2Co(HPO3)2*2H2O
_database_code_amcsd 0010429
12.538 5.319 7.327 90 116.02 90 C2/m
atom      x     y      z  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
K    .33740    .5 .71451 .0231  .0192  .0290  .0213      0  .0090      0
Co       .5     0     .5 .0148  .0155  .0124  .0170      0  .0076      0
P    .35035    .5 .25574 .0153  .0132  .0145  .0162      0  .0045      0
O1    .4207    .5  .1329 .0255  .0265  .0327  .0201      0  .0128      0
O2    .5159     0  .2161 .0276  .0283  .0338  .0219      0  .0120      0
O3   .36625 .2659  .3831 .0214  .0217  .0141  .0294  .0024  .0120  .0043
H1     .238    .5   .110  .014
H2     .481 -.136   .160   .03
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Marrucciite
 
Laufek F, Sejkora J, Fejfarova K, Dusek M, Ozdin D
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=1600-5368&volume=63&spage=190
Acta Crystallographica E63 (2007) i190-i190
The mineral marrucciite: monoclinic Hg3Pb16Sb18S46
Locality: Gelnica ore district, Slovak Republic
_database_code_amcsd 0019228
48.124 4.1083 23.990 90 118.76 90 C2/m
atom       x     y       z  occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Hg1  .129886     0  .43129      .0323  .0443  .0367  .0230      0  .0219      0
Hg2       .5     0      .5      .0271  .0288  .0328  .0176      0  .0096      0
Pb1  .160743     0  .05141      .0257  .0381  .0180  .0249      0  .0185      0
Pb2  .880439     0  .14750      .0219  .0259  .0175  .0232      0  .0127      0
Pb3  .110919     0  .16376      .0242  .0262  .0226  .0280      0  .0165      0
Pb4  .215046     0  .26212      .0271  .0285  .0205  .0245      0  .0065      0
Pb5  .931045     0  .34166      .0258  .0339  .0169  .0244      0  .0123      0
Pb6  .313833     0  .37726      .0259  .0244  .0251  .0266      0  .0109      0
Pb7  .026006     0  .38264      .0255  .0322  .0251  .0234      0  .0168      0
Sb1   .42917     0  .01409      .0410  .0181  .0697  .0277      0  .0050      0
Sb2   .29529     0  .04272      .0326  .0193  .0187  .0557      0  .0149      0
Sb3   .52171     0  .08609      .0467  .0328  .0650  .0242      0 -.0009      0
Sb4   .74970     0  .15156      .0228  .0172  .0269  .0241      0  .0098      0
Sb5   .33940     0  .24093      .0229  .0252  .0250  .0225      0  .0146      0
Sb6   .67121     0  .35664      .0245  .0391  .0181  .0153      0  .0123      0
Sb7   .76574     0  .44928      .0293  .0457  .0193  .0383      0  .0326      0
Sb8  .052297     0 .250683 .388 .0319  .0472  .0259  .0341      0  .0287      0
Pb8  .052297     0  .25068 .612 .0319  .0472  .0259  .0341      0  .0287      0
Sb9  .464070     0  .18486 .612 .0415  .0259  .0376  .0552      0  .0149      0
Pb9   .46407     0 .184862 .388 .0415  .0259  .0376  .0552      0  .0149      0
Sb10  .59584 .0842  .53354   .5 .0196  .0213  .0203  .0162  .0021  .0082  .0009
S1    .04720     0  .04514      .0315  .0209   .055  .0199      0  .0105      0
S2    .34675     0  .04430      .0183  .0292  .0127  .0171      0  .0145      0
S3    .22457     0  .04890      .0483   .017   .098   .026      0  .0077      0
S4    .90931     0  .05559      .0235  .0183   .034  .0193      0  .0097      0
S5    .61989     0  .08618      .0190  .0168  .0203  .0176      0  .0063      0
S6    .81662     0  .13629       .053   .018   .113   .032      0  .0153      0
S7   -.00105     0  .13619      .0269  .0181   .040  .0193      0  .0068      0
S8    .69971     0  .15478      .0193  .0218  .0180  .0168      0  .0082      0
S9    .57042     0  .18714      .0190  .0142  .0216  .0180      0  .0053      0
S10   .27134     0  .23034      .0310  .0231   .050  .0181      0  .0085      0
S11   .39219     0  .24290      .0187  .0184  .0153  .0189      0  .0062      0
S12   .95232     0  .24303      .0253   .028   .034  .0205      0  .0165      0
S13   .66387     0  .24881      .0178  .0179  .0193  .0142      0  .0062      0
S14   .52026     0  .27747      .0235  .0219   .031  .0168      0  .0088      0
S15   .85629     0  .32046       .052   .041   .090   .027      0  .0183      0
S16   .12719     0  .33026      .0437   .028   .086  .0161      0  .0094      0
S17   .76523     0  .34565      .0194  .0217  .0160  .0154      0  .0048      0
S18   .48083     0  .38906      .0182  .0179  .0174  .0181      0  .0077      0
S19   .21658     0  .39248      .0443   .019   .090  .0230      0  .0097      0
S20   .57670     0  .41998      .0233  .0218   .024  .0158      0  .0025      0
S21   .86164     0  .46313      .0178  .0189  .0179  .0141      0  .0059      0
S22   .94500     0  .47995      .0188  .0169  .0227  .0176      0  .0090      0
S23   .30691     0  .48875      .0297  .0227   .045  .0176      0  .0063      0
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Pyrargyrite
Download hom/pyrargyrite.pdf
Laufek F, Sejkora J, Dusek M
 
Journal of Geosciences 55 (2010) 161-167
The role of silver in the crystal structure of pyrargyrite: single
crystal X-ray diffraction study
Locality: H61Z vein, Haje ore deposit, Pribram distict, Czech Republic
_database_code_amcsd 0013027
11.0464 11.0464 8.7211 90 90 120 R3c
atom     x     y     z  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Sb       0     0     0 .0197  .0207  .0207  .0178  .0103      0      0
Ag   .2469 .3031 .2184 .0727  .0986  .0520  .0677  .0378  .0020  .0310
S    .2215 .1007 .3609 .0233  .0188  .0213  .0281  .0089  .0016  .0010
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Behounekite
 
Plasil J, Fejfarova K, Novak M, Dusek M, Skoda R, Hlousek J, Cejka J,
Majzlan J, Sejkora J, Machovic V, Talla D
 
Mineralogical Magazine 75 (2011) 2739-2753
Behounekite, U(SO4)2(H2O)4, From Jachymov (St Joachimsthal), Czech Republic:
the first natural U4+ sulphate
Locality: Jachymov, Czech Republic
_database_code_amcsd 0018561
14.6464 11.0786 5.6910 90 90 90 Pnma
atom      x     y      z    Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
U    .82892   .75 .12581   .0096  .0101  .0075  .0111      0 .00037      0
S     .8508 .4451  .3856   .0094  .0080  .0070  .0132  .0003  .0008  .0001
O1    .9760   .75   .308    .020   .014   .011   .034      0   .015      0
O2    .9244 .6247  .1104    .021   .012   .018   .033   .003  .0059  .0129
O3    .8323 .5757  .3520    .019   .025   .010   .021  .0019  .0011  .0002
O4    .9065 .4297  .5943    .017   .022   .010   .019  .0022  .0094  .0010
O5    .7611 .3839  .4165    .018   .014   .020   .019   .010  .0059  .0035
O6    .8949 .3968  .1751    .019  .0140   .021   .023  .0026  .0090  .0112
O7    .7033   .75  .3837    .021   .022   .015   .026      0   .018      0
H1     .701 .6896   .467 .025284
H2     .912  .568   .199 .025264
H3     .977  .644   .130 .025264
H5    1.005 .6892   .347 .023617
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Grimselite
Download hom/grimselite.pdf
Plasil J, Fejfarova K, Skala R, Skoda R, Meisser N, Hlousek J, Cisarova I,
Dusek M, Veselovsky F, Cejka J, Sejkora J, Ondrus P
 
Mineralogical Magazine 76 (2012) 443-453
The crystal chemistry of the uranyl carbonate mineral grimselite,
(K,Na)3Na[(UO2)(CO3)3](H2O), from Jachymov, Czech Republic
Note: Sample A
Locality: Jachymov, Czech Republic
_database_code_amcsd 0018908
9.2507 9.2507 8.1788 90 90 120 P-62c
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   .2897     0     0 .821  .0355  .0420  .0335  .0282  .0168  .0047  .0095
Na1  .2897     0     0 .179  .0355  .0420  .0335  .0282  .0168  .0047  .0095
Na2    1/3   2/3   .75       .0283  .0347  .0347  .0154  .0173      0      0
U      2/3   1/3   .75      .01364 .01371 .01371 .01350      0 .00685      0
C    .9887 .6296   .75        .024   .019   .021   .032   .010      0      0
O1   .9697 .4800   .75       .0282  .0154   .021  .0499   .011      0      0
O2   .8497 .6324   .75       .0314   .022   .025   .050  .0138      0      0
O3     2/3   1/3 .9686       .0352  .0451  .0451  .0155  .0226      0      0
O4   .1293 .7588   .75       .0341  .0208   .022   .051  .0045      0      0
Wat5     0     0  .122   .5   .090   .093   .093   .084   .046      0      0
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Grimselite
Download hom/grimselite.pdf
Plasil J, Fejfarova K, Skala R, Skoda R, Meisser N, Hlousek J, Cisarova I,
Dusek M, Veselovsky F, Cejka J, Sejkora J, Ondrus P
 
Mineralogical Magazine 76 (2012) 443-453
The crystal chemistry of the uranyl carbonate mineral grimselite,
(K,Na)3Na[(UO2)(CO3)3](H2O), from Jachymov, Czech Republic
Note: Sample B
Locality: Jachymov, Czech Republic
_database_code_amcsd 0018909
9.3000 9.3000 8.2940 90 90 120 P-62c
atom     x     y    z occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
K    .2922     0    0     .0368  .0420   .036   .031  .0178  .0043   .009
Na     1/3   2/3  .75      .027   .029   .029   .022  .0143      0      0
U      2/3   1/3  .75     .0165  .0149  .0149  .0197  .0075      0      0
C     .989  .632  .75      .022   .021   .016   .028   .009      0      0
O1   .9677  .478  .75      .026   .010   .020   .048   .008      0      0
O2   .8475 .6299  .75      .023   .018   .036   .035   .017      0      0
O3     2/3   1/3 .965      .031   .030   .030   .034   .015      0      0
O4   .1281  .759  .75      .026   .023   .024   .050   .008      0      0
Wat5     0     0 .130  .5  .071   .083   .083    .05    .04      0      0
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Stepite
 
Plasil J, Fejfarova K, Hlousek J, Skoda R, Novak M, Sejkora J, Cejka J,
Dusek M, Veselovsky F, Ondrus P, Majzlan J, Mrazek Z
 
Mineralogical Magazine 77 (2013) 137-152
Stepite, U(AsO3OH)2*4H2O, from Jachymov, Czech Republic:
the first natural arsenate of tetravalent uranium
Locality: Jachymov, Czech Republic
_database_code_amcsd 0019793
10.9867 10.9867 32.9271 90 90 90 I4_1/acd
atom      x      y      z  Uiso U(1,1) U(2,2) U(3,3) U(1,2)  U(1,3) U(2,3)
U    .16022 .66022      0 .0111  .0099  .0099  .0134 -.0001 -.00001 .00001
As   .35936 .87363 .05741 .0090  .0088  .0083  .0099 -.0020  -.0011  .0008
Wat1    .75  .8572   .125  .023   .040   .012   .015      0   -.006      0
OH2   .3929  .8334  .1062  .025   .030   .026   .018  -.015   -.006   .008
Wat3     .5     .5  .0870  .031   .038   .038   .018  -.001       0      0
O4    .4716  .8237  .0275  .019   .013   .017   .028  -.002    .008  -.003
O5    .3469 1.0227  .0586  .013   .019   .011   .010   .000   -.001   .002
O6    .2305  .8037  .0452  .013   .012   .013   .015   .001    .003   .001
Wat7  .0841  .8649 -.0204  .016   .016   .010   .021  -.001   -.006  -.001
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Svenekite
 
Ondrus P, Skala R, Plasil J, Sejkora J, Veselovsky F, Cejka J, Kallistova A,
Hlousek J, Fejfarova K, Skoda R, Dusek M, Gabasova A, Machovic V, Lapcak L
 
Mineralogical Magazine 77 (2013) 2711-2724
Svenekite, Ca[AsO2(OH)2]2. a new mineral from Jachymov, Czech Republic
Locality: Jachymov, Czech Republic
_database_code_amcsd 0019984
8.5606 7.6926 5.7206 92.605 109.9002 109.9017 P-1
atom       x      y      z   Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ca    .08168 .18648 .31266  .0127  .0119  .0150  .0105  .0022  .0041  .0044
As1   .34172 .23993 .98495 .01135  .0091  .0136  .0103  .0019  .0045  .0021
As2  -.18668 .23399 .66951 .01220  .0108  .0129  .0126  .0009  .0046  .0040
O1    -.1744 -.0618 -.0028  .0149   .011   .015   .017   .003   .008   .000
O2     .3771  .4001  .2362  .0207  .0200  .0204  .0178 -.0042  .0105  .0009
O3     .5416  .2079  .0750  .0211  .0149  .0351  .0168  .0061  .0076  .0120
O4     .3116  .3252  .7213  .0152  .0143  .0159  .0113  .0049  .0037  .0015
O5    -.0457  .3292 -.0304  .0168  .0197  .0112  .0124 -.0010  .0001  .0037
O6    -.1254  .0935  .5244  .0144  .0155  .0151  .0153  .0006  .0082  .0067
O7    -.1691  .4339  .5344  .0206  .0172  .0232  .0157  .0051  .0000  .0068
O8    -.3974  .1412  .6588  .0186  .0117  .0227  .0199 -.0042  .0088  .0029
H2     -.229   .410   .431  .0248
H3      .449   .463   .253  .0248
H5      .559   .202   .983  .0253
H7         0     .5      0  .0202
H8        .5      0     .5  .0223
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Hydroniumjarosite
Download hom/hydroniumjarosite.pdf
Plasil J, Skoda R, Fejfarova K, Cejka J, Kasatkin A V, Dusek M, Talla D,
Lapcak L, Machovic V, Dini M
 
Mineralogical Magazine 78 (2014) 535-547
Hydroniumjarosite, (H3O)+Fe3(SO4)2(OH)6, from Cerros Pintados, Chile:
Single-crystal X-ray diffraction and vibrational spectroscopic study
Locality: Cerros Pintados, Iquique Province, Chile
_database_code_amcsd 0020230
7.3408 7.3408 17.0451 90 90 120 R-3m
atom           x         y       z  occ   Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
H2         -.053      .053   -.036 .385   .046
O4             0         0       0  .77  .0229  .0263  .0263   .016  .0131      0      0
Na             0         0       0   .2  .0229  .0263  .0263   .016  .0131      0      0
K              0         0       0  .02  .0229  .0263  .0263   .016  .0131      0      0
Fe           1/3       1/6     1/6 .983 .00950  .0074  .0098  .0105 .00368 .00027 .00014
Al           1/3       1/6     1/6  .01 .00950  .0074  .0098  .0105 .00368 .00027 .00014
S            2/3       1/3  .02556 .985  .0107  .0119  .0119  .0082 .00594      0      0
Si           2/3       1/3  .02556 .015  .0107  .0119  .0119  .0082 .00594      0      0
O1           2/3       1/3 -.06013       .0157  .0190  .0190  .0090  .0095      0      0
O2         .4472    .22362  .05494       .0157  .0108  .0209  .0120  .0054  .0007  .0003
O3        .12726     .2545  .13504       .0172  .0101  .0133  .0293  .0066  .0048  .0097
H1         .1752      .350   .1094       .0206
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Total number of retrieved datasets: 22
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