American Mineralogist Crystal Structure Database

3 matching records for this search.

Pauflerite
 
Krivovichev S V, Vergasova L P, Britvin S N, Filatov S K, Kahlenberg V, Ananiev V V
Download cm/vol45/CM45_921.pdf
The Canadian Mineralogist 45 (2007) 921-927
Pauflerite, B-VO(SO4), a new mineral species from the Tolbachik volcano,
Kamchatka Peninsula, Russia
Locality: Great Fissure Tolbachik eruption, Kamchatka Peninsula, Russia
_database_code_amcsd 0006150
7.3890 6.2740 7.0788 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)
V    .33473   .25 .26710 .0082  .0096  .0060  .0091      0 -.0020      0
S    .37696   .75 .36810 .0064  .0063  .0055  .0074      0 -.0006      0
O1    .3752 .5627  .2434 .0120  .0191  .0055  .0115 -.0005  .0005 -.0019
O2    .1264   .25  .3324 .0127  .0094  .0139  .0146      0 -.0009      0
O3    .5448   .75  .4807 .0124  .0084  .0198  .0088      0 -.0029      0
O4    .2157   .75  .4901 .0125  .0101  .0196  .0078      0  .0018      0
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View JMOL 3-D Structure (permalink)
 
Hatertite
 
Krivovichev S V, Vergasova L P, Filatov S K, rybin D S, Britvin S N, Ananiev V V
 
European Journal of Mineralogy 25 (2013) 683-691
Hatertite, Na2(Ca,Na)(Fe3+,Cu)2(AsO4)3, a new alluaudite-group mineral from
Tolbachik fumaroles, Kamchatka peninsula, Russia
Locality: Tolbachik fumaroles, Kamchatka peninsula, Russia
_database_code_amcsd 0020029
12.640 13.007 6.700 90 113.828 90 C2/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)
NaA(1)       .5       0      0 .87  .0321  .0394  .0189  .0205 -.0042 -.0061   .003
CaA(1)       .5       0      0 .13  .0321  .0394  .0189  .0205 -.0042 -.0061   .003
NaA(2)        0  -.0080    .25 .55  .0466  .0217   .047   .052      0 -.0049      0
KA(2)         0  -.0080    .25 .30  .0466  .0217   .047   .052      0 -.0049      0
CaM(1)        0  .26401    .25 .60  .0219  .0239  .0180  .0284      0  .0154      0
NaM(1)        0  .26401    .25 .27  .0219  .0239  .0180  .0284      0  .0154      0
MnM(1)        0  .26401    .25 .13  .0219  .0239  .0180  .0284      0  .0154      0
Fe3+M(2) .27324  .65670 .35841 .45  .0147  .0162  .0148  .0130  .0006  .0058 -.0004
CuM(2)   .27324  .65670 .35841 .20  .0147  .0162  .0148  .0130  .0006  .0058 -.0004
AlM(2)   .27324  .65670 .35841 .19  .0147  .0162  .0148  .0130  .0006  .0058 -.0004
ZnM(2)   .27324  .65670 .35841 .16  .0147  .0162  .0148  .0130  .0006  .0058 -.0004
AsT(1)        0 -.27594    .25      .0166  .0221  .0149  .0102      0  .0038      0
AsT(2)   .24467 -.10591 .13632     .01722  .0228  .0146  .0116  .0021  .0043  .0006
O(1)      .4476   .7007  .5259      .0208   .027   .024  .0107  .0000  .0066 -.0049
O(2)      .0971   .6447  .2211      .0308   .033   .024   .034  .0025   .013 -.0136
O(3)      .3262   .6661  .1044      .0235   .032   .016  .0160 -.0053  .0038 -.0015
O(4)      .1161   .4083  .3061      .0235   .027   .023  .0193  .0052  .0087  .0061
O(5)      .2306   .8200  .3333      .0214   .031   .022  .0159  .0018  .0144  .0035
O(6)      .3187   .5072  .3732      .0322   .044   .024  .0260 -.0178   .011 -.0005
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Nicksobolevite
 
Vergasova L P, Semenova T F, Krivovichev S V,Filatov S K,
Zolotarev A A, Ananiev V V
 
European Journal of Mineralogy 26 (2014) 439-449
Nicksobolevite, Cu7(SeO3)2O2Cl6, a new complex copper oxoselenite chloride
from Tolbachik fumaroles, Kamchatka peninsula, Russia
Locality: Tolbachik fumaroles, Kamchatka Peninsula, Russia
_database_code_amcsd 0020512
10.958 14.483 10.494 90 113.61 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)
Cu1  -.25759  .12347  .01685 .0234  .0265  .0176  .0155  .0008  .0025  .0007
Cu2  -.00011  .21280  .02022 .0228  .0253  .0178  .0153  .0000  .0035  .0017
Cu3  -.13451  .32725  .18225 .0237  .0276  .0159  .0191 -.0018  .0013  .0025
Cu4  -.30072  .30076 -.12742 .0269  .0262  .0220  .0181  .0023  .0068  .0019
Cu5   .34638  .06113  .18196 .0269  .0319  .0179  .0177 -.0002  .0059 -.0018
Cu6       .5       0       0 .0228  .0353  .0171  .0188 -.0008  .0008  .0025
Cu7   .21372  .06049 -.14727 .0262  .0349  .0239  .0165  .0045  .0047 -.0010
Cu8       .5       0      .5 .0265  .0244  .0206  .0209  .0004  .0065  .0018
Se1   .00121  .12392  .30468 .0217  .0305  .0194  .0198  .0005  .0008  .0035
Se2   .53306 -.13180  .26709 .0210  .0364  .0223  .0165  .0043  .0061 -.0009
O1     .3319  -.0005   .0170 .0189   .020   .018   .016 -.0013   .004  .0005
O2    -.1723   .2416   .0321 .0209   .024   .017   .016 -.0011   .002 -.0022
O3     .0732   .1565   .2008 .0281   .029   .033   .023   .003   .010   .006
O4    -.0688   .2284   .3323 .0283   .035   .020   .023   .001   .003  -.001
O5    -.1421   .0716   .1965 .0269   .032   .019   .024   .000   .006  -.001
O6     .5948  -.0804   .1615 .0279   .026   .029   .023   .003   .004   .009
O7     .4586  -.0388   .3109 .0255   .027   .021   .021   .004   .002  -.004
O8     .3914  -.1800   .1497 .0312   .037   .019   .023  -.002  -.004  -.001
Cl1    .2143  .17899   .0193 .0275  .0318  .0228  .0251  .0029  .0085 -.0014
Cl2    .0866  .37854   .1503 .0298  .0346  .0259  .0223 -.0072  .0044 -.0074
Cl3    .3854  .13208   .3862 .0297  .0376  .0276  .0185  .0069  .0055 -.0031
Cl4   -.4318  .34184  -.3426 .0308  .0329  .0283  .0221 -.0004  .0012  .0070
Cl5   -.2536  .43260  -.0006 .0308  .0377  .0198  .0260  .0016  .0032 -.0017
Cl6   -.1131  .06916  -.1499 .0284  .0395  .0209  .0239  .0019  .0118  .0033
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View JMOL 3-D Structure (permalink)
 
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Total number of retrieved datasets: 3
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