American Mineralogist Crystal Structure Database

34 matching records for this search.

Prewittite
 
Shuvalov R R, Vergasova L P, Semenova T F, Filatov S K, Krivovichev S V,
Siidra O I, Rudashevsky N S
 
American Mineralogist 98 (2013) 463-469
Prewittite, KPb1.5Cu6Zn(SeO3)2O2Cl10, a new mineral from Tolbachik fumaroles,
Kamchatka peninsula, Russia: Description and crystal structure
Locality: Tolbachik fumaroles, Kamchatka peninsula, Russia
_database_code_amcsd 0019781
9.132 19.415 13.213 90 90 90 Pnnm
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   .3982  .4456     .5 .22  .050  .0514  .0516  .0462 -.0069      0      0
K2      .5      0  .3409 .40 .0673  .0979  .0431  .0609 -.0106      0      0
Pb1     .5      0  .3409 .60 .0673  .0979  .0431  .0609 -.0106      0      0
Pb2  .4046 .09061      0 .85 .0435  .0497  .0413  .0395 -.0002      0      0
Zn   .3971  .1928     .5     .0377  .0334  .0388  .0408 -.0008      0      0
Cu1  .3302  .1310      0 .15  .045  .0529  .0333  .0484  .0017      0      0
Cu2  .4242  .4248      0     .0413  .0626  .0316  .0297  .0117      0      0
Cu3  .4174 .26232      0     .0308  .0345  .0320  .0257 -.0016      0      0
Cu4  .0824 .30985  .3150     .0332  .0351  .0283  .0360  .0022 -.0037 -.0073
Cu5  .2302 .19533  .1792     .0312  .0308  .0314  .0314  .0020  .0017 -.0076
Se   .4124 .34134 .22085     .0275  .0306  .0266  .0253  .0013 -.0007  .0026
O1   .4120  .1911  .1050      .031  .0361  .0268  .0299  .0009 -.0059 -.0004
O2   .0444  .2145  .2555      .032  .0355  .0325  .0281  .0043 -.0029 -.0036
O3   .2608  .2910  .2330      .031  .0264  .0254  .0422  .0022 -.0021 -.0044
O4   .4242  .3431  .0919      .035  .0411  .0309  .0342 -.0001  .0015  .0004
Cl1      0      0  .3768      .051  .0692  .0396  .0435  .0104      0      0
Cl2  .2211  .2788     .5      .043  .0412  .0458  .0418  .0077      0      0
Cl3  .1114  .2487      0      .041  .0401  .0450  .0374 -.0043      0      0
Cl4  .1611  .4495      0      .058  .0489  .0620  .0643 -.0069      0      0
Cl5  .1694  .0842  .1376     .0455  .0514  .0400  .0451  .0020 -.0009 -.0016
Cl6  .3606  .1341  .3546     .0495  .0591  .0478  .0416  .0024 -.0029 -.0072
Cl7  .1374  .4223  .3357     .0433  .0465  .0369  .0463  .0028 -.0026 -.0013
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Kukharenkoite-(Ce)
Download hom/kukharenkoitece.pdf
Krivovichev S V, Filatov S K, Zaitsev A N
Download cm/vol36/CM36_809.pdf
The Canadian Mineralogist 36 (1998) 809-815
The crystal structure of kukharenkoite-(Ce), Ba2REE(CO3)3F,and an interpretation
based on cation-coordinated F tetrahedra
_database_code_amcsd 0005546
13.374 5.1011 6.653 90 106.56 90 P2_1/m
atom      x    y     z  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ba1  .07490  .25 .2900 .0175  .0181  .0172  .0168      0  .0042      0
Ba2  .41615  .25 .6888 .0170  .0206  .0142  .0152      0  .0034      0
Ce   .76096  .25 .9884 .0146  .0177  .0113  .0142      0  .0036      0
F     .9283  .25  .911  .027  .0320  .0240  .0230      0  .0040      0
C1    .7259  .25  .509  .018  .0200  .0120  .0210      0      0      0
C2    .4268  .25  .174  .019  .0240  .0120  .0220      0  .0090      0
C3    .1273  .25  .794  .019  .0190  .0220  .0160      0  .0040      0
O1    .1826  .25  .991  .025  .0370  .0200  .0130      0  .0010      0
O2    .6996  .25  .310  .030  .0380  .0380  .0140      0  .0070      0
O3    .4899  .25  .358  .024  .0320  .0210  .0170      0  .0030      0
O4    .3993 .031  .077  .026  .0300  .0190  .0290 -.0030  .0090 -.0050
O5    .2625 .965  .386  .026  .0320  .0140  .0270      0      0  .0030
O6    .8969 .970  .300  .025  .0370  .0150  .0220 -.0050  .0040 -.0040
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Melanothallite
Download hom/melanothallite.pdf
Krivovichev S V, Filatov S K, Burns P C
Download cm/vol40/CM40_1185.pdf
The Canadian Mineralogist 40 (2002) 1185-1190
The cuprite-like framework of OCu4 tetrahedra in the crystal structure
of synthetic melanothallite, Cu2OCl2, and its negative thermal expansion
Locality: synthetic
_database_code_amcsd 0005787
7.4691 9.5969 9.700 90 90 90 *Fddd
.125 .125 .125
atom   x   y      z  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Cu     0   0    1/2 .0140  .0179  .0130  .0110 -.0026 -.0008 -.0006
Cl   1/8 1/8 .32431 .0213  .0289  .0220  .0131 -.0087      0      0
O    1/8 1/8    5/8 .0127  .0167  .0119  .0094      0      0      0
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Burnsite
Download hom/burnsite.pdf
Burns P C, Krivovichev S V, Filatov S K
Download cm/vol40/CM40_1587.pdf
The Canadian Mineralogist 40 (2002) 1587-1595
New Cu coordination polyhedra in the crystal structure of burnsite,
KCdCu7O2(SeO3)2Cl9
_database_code_amcsd 0005796
8.7805 8.7805 15.521 90 90 120 P6_3/mmc
atom        x       y      z  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
K           0       0    1/4 .0609   .080   .080   .023  .0398      0      0
Cd          0       0      0 .0205  .0212  .0212  .0192  .0106      0      0
Cu(1) -.45264 -.54736 .09057 .0157  .0200  .0200  .0137  .0150 -.0013  .0013
Cu(2)     2/3     1/3    1/4 .0134  .0169  .0169  .0063  .0085      0      0
Se        1/3     2/3 .09730 .0131  .0147  .0147  .0099  .0073      0      0
O(1)      2/3     1/3  .1267 .0112   .012   .012   .010  .0058      0      0
O(2)   -.5696  -.1392  .0447 .0210   .026   .011   .021  .0053 -.0005  -.001
Cl(1) -.13697  -.2739 .10178 .0402  .0571  .0221  .0299  .0110  .0020  .0041
Cl(2)  -.4945  -.5055    1/4 .0352  .0433  .0433  .0370  .0350      0      0
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Cu2V2O7
 
Krivovichev S V, Filatov S K, Cherepansky P N, Armbruster T, Pankratova O Y
Download cm/vol43/CM43_671.pdf
The Canadian Mineralogist 43 (2005) 671-677
The crystal structure of gamma-Cu2V2O7 and its comparison to blossite
(alpha-Cu2V2O7) and ziesite (beta-Cu2V2O7)
_database_code_amcsd 0006001
5.0873 5.8233 9.4020 99.780 97.253 97.202 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)
Cu1 .26344  .15492 .51698 .0128  .0094  .0164  .0128 -.00025 -.0005  .00625
Cu2 .28090  .14584 .00655 .0126  .0121  .0123  .0122  .00474 -.0014 -.00089
V1  .16373 -.32508 .21877 .0095  .0095  .0095  .0092   .0015  .0006   .0013
V2  .28516 -.26957 .69728 .0091  .0094  .0090  .0085   .0010  .0006   .0014
O1   .0885  -.1078  .6023 .0118   .010   .012   .014   .0018  .0003   .0054
O2   .4145  -.1774  .3498 .0141   .012   .014   .015   .0008 -.0028   .0028
O3   .0486  -.1293  .1195 .0133   .012   .014   .014   .0029 -.0007   .0044
O4   .3846  -.1248  .8774 .0123   .012   .013   .011   .0048 -.0016  -.0008
O5   .1051  -.5550  .6891 .0145   .015   .013   .015   .0002  .0035   .0033
O6   .5498  -.3136  .6176 .0123   .012   .012   .014   .0021  .0021   .0043
O7   .2637  -.5429  .1096 .0195   .022   .018   .018   .0093  .0008  -.0019
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Allochalcoselite
 
Krivovichev S V, Filatov S K, Burns P C, Vergasova L P
Download cm/vol44/CM44_507.pdf
The Canadian Mineralogist 44 (2006) 507-514
The crystal structure of allochalcoselite, Cu+Cu2+5PbO2(SeO3)2Cl5,
a mineral with well-defined Cu+ and Cu2+ positions
Locality: fumaroles of the Great Tolbachik fissure eruption, Kamchatka Peninsula, Russia
_database_code_amcsd 0006091
18.468 6.1475 15.314 90 119.284 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)
Cu1  .98610 .2462 .74348 .0136  .0094  .0166  .0155 -.0019  .0067 -.0042
Cu2  .93169     0  .5343 .0196  .0094  .0437  .0070      0  .0050      0
Cu3  .93998    .5  .0455 .0153  .0084  .0296  .0075      0  .0035      0
Cu4  .64740     0  .8306 .0197  .0145  .0284  .0222      0  .0137      0
Cu5      .5     0     .5 .0291   .024   .032   .032      0   .015      0
Cu6       0     0      0 .0427   .064   .038   .042      0   .038      0
Pb   .79657     0 .63877 .0152  .0089  .0217  .0134      0  .0042      0
Se1  .12845     0 .70903 .0113  .0053  .0192  .0093      0  .0034      0
Se2  .85671    .5 .79940 .0118  .0071  .0189  .0100      0  .0047      0
O1    .8829 .7134  .7511  .016   .014   .023   .013   .000   .008   .001
O2    .0946 .2154  .7468  .022   .016   .027   .028  -.004   .015  -.009
O3    .9401    .5  .9184  .016   .012   .031   .003      0   .003      0
O4    .9317     0  .6582  .011   .009   .015   .013      0   .008      0
O5    .0401    .5  .8211  .012   .002   .024   .005      0  -.001      0
O6    .0551     0  .5867  .026   .014   .056   .001      0  -.002      0
Cl1   .6982     0  .0082 .0222   .008   .041   .012      0   .001      0
Cl2   .5865     0  .4462 .0312   .028   .039   .024      0   .011      0
Cl3   .7886     0  .4388 .0221   .013   .036   .019      0   .008      0
Cl4   .7613     0  .8150 .0275   .017   .044   .026      0   .013      0
Cl5   .0623     0  .9198 .0314   .040   .032   .016      0   .009      0
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Leningradite
Download hom/leningradite.pdf
Siidra O I, Krivovichev S V, Armbruster T, Filatov S K, Pekov I V
Download cm/vol45/CM45_445.pdf
The Canadian Mineralogist 45 (2007) 445-449
The crystal structure of leningradite, PbCu3(VO4)2Cl2
Locality: Great fissure Tolbachik eruption, Kamchatka Peninsula, Russia
Note: Changed signs of Cu2(y) and Cl(y) by personal communication with Krivovichev
_database_code_amcsd 0006144
9.005 11.046 9.349 90 90 90 Ibam
atom      x       y     z  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Pb       .5       0   .25 .0210  .0262  .0153  .0215      0      0      0
Cu1       0       0     0 .0142  .0176  .0146  .0104 -.0050      0      0
Cu2  .25095 -.32837     0 .0128  .0089  .0198  .0096  .0035      0      0
V        .5  .29546   .25 .0073  .0072  .0093  .0054      0  .0005      0
O1    .0981   .1107 .1354 .0126  .0123   .013   .013 -.0034 -.0022  .0021
O2    .3871   .2015 .1565 .0141   .017   .015   .011 -.0005 -.0032 -.0009
Cl    .3116  -.0834     0 .0210  .0208  .0183  .0238  .0029      0      0
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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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Parageorgbokiite
 
Krivovichev S V, Filatov S K, Burns P C, Vergasova L P
Download cm/vol45/CM45_929.pdf
The Canadian Mineralogist 45 (2007) 929-934
The crystal structure of parageorgbokiite, B-Cu5O2(SeO3)2Cl2
Locality: Great Fissure Tolbachik eruption, Kamchatka Peninsula, Russia
_database_code_amcsd 0006151
5.3982 8.0543 11.1277 90 99.258 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  .52244 .20949 .38388 .0136  .0163  .0145  .0108  -.0039  .0044 -.0029
Cu2       0     .5     .5 .0126  .0096  .0174  .0107  -.0025  .0020 -.0010
Cu3  .47613 .57640 .38012 .0116  .0128  .0133  .0094  .00218  .0034  .0012
Se   .13167 .90880 .28438 .0108  .0117  .0123  .0090 -.00031  .0033  .0003
Cl    .7221  .8513 .47423 .0197  .0215  .0244  .0149  -.0057  .0076 -.0016
O1    .6724  .3980  .4729 .0108  .0102  .0138  .0088  -.0010  .0030 -.0005
O2    .3464  .0584  .2599 .0153  .0184  .0175  .0114  -.0089  .0063 -.0045
O3    .2846  .7324  .2511 .0135  .0171  .0125  .0114   .0051  .0035  .0047
O4   -.0834  .9311  .1590 .0151  .0119  .0221  .0118   .0006  .0036  .0051
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Isolueshite
 
Krivovichev S V, Chakhmouradian A R, Mitchell R H, Filatov S K, Chukanov N V
 
European Journal of Mineralogy 12 (2000) 597-607
Crystal structure of isolueshite and its synthetic compositional analogue
Sample: isolueshite
_database_code_amcsd 0006836
3.909 3.909 3.909 90 90 90 Pm-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)
Na      0   0   0 .75 .0182  .0182  .0182  .0182      0      0      0
La      0   0   0 .19 .0182  .0182  .0182  .0182      0      0      0
Ca      0   0   0 .06 .0182  .0182  .0182  .0182      0      0      0
Nb    1/2 1/2 1/2  .5 .0134  .0134  .0134  .0134      0      0      0
Ti    1/2 1/2 1/2  .5 .0134  .0134  .0134  .0134      0      0      0
O    .579   0 1/2 .25  .029   .025   .012   .050      0      0      0
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Isolueshite
 
Krivovichev S V, Chakhmouradian A R, Mitchell R H, Filatov S K, Chukanov N V
 
European Journal of Mineralogy 12 (2000) 597-607
Crystal structure of isolueshite and its synthetic compositional analogue
Sample: synthetic (Na.75La.25)(Nb.5Ti.5)O3
_database_code_amcsd 0006837
7.7842 7.8033 7.7828 90 90 90 Cmcm
atom    x    y    z occ Biso
NaA1    0 .002  1/4 .75 1.47
LaA1    0 .002  1/4 .25 1.47
NaA2    0 .499  1/4 .75 1.47
LaA2    0 .499  1/4 .25 1.47
NbB   1/4  1/4    0  .5 1.42
TiB   1/4  1/4    0  .5 1.42
O1   .215    0    0      2.7
O2      0 .232 .005      1.7
O3   .298 .237  1/4       .6
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Filatovite
 
Filatov S K, Krivovichev S V, Burns P C, Vergasova L P
 
European Journal of Mineralogy 16 (2004) 537-543
Crystal structure of filatovite, K[(Al,Zn)2(As,Si)2O8],
the first arsenate of the feldspar group
_database_code_amcsd 0007076
8.772 13.370 14.690 90 115.944 90 I2/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)
K    .28451 .00038 .06940 .90 .0465  .0292  .0567  .0483  -.0009  .0122  -.0010
Na   .28451 .00038 .06940 .10 .0465  .0292  .0567  .0483  -.0009  .0122  -.0010
AsT1 .00850 .18364 .10767 .55 .0175  .0187  .0189  .0154 -.00378 .00783 -.00119
SiT1 .00850 .18364 .10767 .45 .0175  .0187  .0189  .0154 -.00378 .00783 -.00119
AlT2 .00558 .18560 .61510 .94 .0205  .0201  .0236  .0181  -.0032  .0085  -.0014
ZnT2 .00558 .18560 .61510 .06 .0205  .0201  .0236  .0181  -.0032  .0085  -.0014
AlT3 .71009 .12077 .17143 .96 .0215  .0207  .0197  .0229  -.0009  .0084  -.0007
ZnT3 .71009 .12077 .17143 .04 .0215  .0207  .0197  .0229  -.0009  .0084  -.0007
AsT4 .70229 .11568 .67225 .55 .0177  .0174  .0154  .0185 -.00107 .00627 -.00060
SiT4 .70229 .11568 .67225 .45 .0177  .0174  .0154  .0185 -.00107 .00627 -.00060
O1    .0046  .1435  .0010     .0292  .0389  .0292  .0200  -.0001  .0134  -.0031
O2    .6299  .9986  .1418     .0345  .0303  .0203  .0418   .0027  .0056   .0047
O3    .8340  .1450  .1076     .0448  .0342   .062  .0476  -.0176  .0264  -.0069
O4    .8160  .1447  .6131     .0406  .0290   .060  .0377  -.0080  .0191   .0006
O5    .0253  .3055  .1204     .0297  .0312  .0201  .0352  -.0036  .0121  -.0042
O6    .0336  .3145  .6345     .0305  .0238  .0241  .0386  -.0043  .0091  -.0046
O7    .1751  .1303  .1970     .0351  .0359  .0371  .0211   .0047  .0023   .0034
O8    .1839  .1214  .7048     .0311  .0305  .0354  .0212   .0051  .0056   .0008
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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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K2Cr2O7
 
Krivovichev S V, Kir'yanova E V, Filatov S K, Burns P C
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-2701&volume=56&spage=629
Acta Crystallographica C56 (2000) 629-630
Beta-K2Cr2O7
Note: dimorphic with lopezite
_database_code_amcsd 0010323
13.0339 7.375 7.4672 90 91.923 90 C2/c
atom      x      y      z U(1,1) U(2,2) U(3,3)  U(1,2) U(1,3)  U(2,3)
K    .14473 .15065 .35562  .0336  .0382  .0266  -.0056  .0002  -.0043
Cr   .39714 .17429 .13497  .0206  .0226  .0207 -.00247 .00292 -.00125
O1   .44153  .3071 -.0176  .0334  .0398  .0281  -.0049  .0069   .0076
O2   .33753  .2974  .2780  .0379  .0373  .0277   .0088  .0082  -.0012
O3       .5  .0595    .25  .0256  .0251  .0343       0  .0020       0
O4   .32025  .0254  .0494  .0371  .0368  .0479  -.0112 -.0072  -.0054
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Chloromenite
Download hom/chloromenite.pdf
Krivovichev S V, Filatov S K, Semenova T F, Rozhdestvenskaya I V
Download zk/vol213/ZK213_645.pdf
Zeitschrift fur Kristallographie 213 (1998) 645-649
Crystal chemistry of inorganic compounds based on chains of oxocentered
tetrahedra I. Crystal structure of chloromenite, Cu9O2(SeO3)4Cl6
Locality: Tolbachik volcano, Kamchatka, Russia
_database_code_amcsd 0011081
14.170 6.262 12.999 90 113.05 90 I2/m
atom      x      y      z  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Cu1      .5      0      0 .0192  .0167  .0261  .0152      0  .0066      0
Cu2   .3792      0  .1633 .0152  .0141  .0114  .0206      0  .0073      0
Cu3   .2835      0  .5526 .0214  .0250  .0140  .0258      0  .0108      0
Cu4   .1186      0  .0259 .0257  .0132  .0492  .0122      0  .0024      0
Cu5     .25   -.25    .25 .0149  .0163  .0102  .0192  .0018  .0080  .0039
Se1   .2516      0 .88863 .0162  .0156  .0194  .0129      0  .0048      0
Se2  .03842      0 .23727 .0124  .0126  .0103  .0136      0  .0043      0
O1    .2381      0  .1601  .013   .014   .006   .015      0   .000      0
O2    .3761 -.2967  .2170  .021   .024   .016   .031   .005   .016   .015
O3    .3115  -.307  .5713  .026   .021   .014   .044   .000   .014   .006
O4    .3664      0  .0014  .025   .015   .046   .015      0   .006      0
O5    .0150      0  .0980  .022   .011   .035   .016      0   .001      0
Cl1   .3688      0  .4363 .0244  .0253  .0253  .0220      0  .0075      0
Cl2   .4460      0  .8068 .0266  .0182   .041  .0180      0  .0044      0
Cl3   .1484      0  .5968 .0431   .043   .042   .056      0   .032      0
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Coparsite
Download hom/coparsite.pdf
Starova G L, Krivovichev S V, Filatov S K
Download zk/vol213/ZK213_650.pdf
Zeitschrift fur Kristallographie 213 (1998) 650-653
Crystal chemistry of inorganic compounds based on chains of oxocentered
tetrahedra II. Crystal structure of Cu4O2[(As,V)O4]Cl
Locality: Tolbachik volcano, Kamchatka, Russia
_database_code_amcsd 0019533
5.440 11.154 10.333 90 90 90 Pbcm
atom     x     y     z occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Cu1  .4691 .3503   .75     .0058   .011  .0008  .0060 -.0019      0      0
Cu2  .3583 .4129   .25     .0063   .011  .0020  .0062 -.0019      0      0
Cu3  .2704 .5500 .5410     .0072  .0082  .0068  .0066  .0023  .0005  .0002
As   .1803   .25    .5 .54 .0047   .006  .0021  .0057      0      0  .0006
V    .1803   .25    .5 .46 .0047   .006  .0021  .0057      0      0  .0006
O1    .449 .5304 .3797      .005   .008   .002   .005  -.001  -.002   .002
O2    .379 .2775 .3738      .008   .014   .005   .005   .004   .000   .003
O3    .987 .6276 .4653      .009   .011   .006   .010   .005  -.001   .004
Cl   .1159 .6018   .75      .016   .010   .028   .012   .005      0      0
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Georgbokiite
Download hom/georgbokiite.pdf
Krivovichev S V, Shuvalov R R, Semenova T F, Filatov S K
Download zk/vol214/ZK214_135.pdf
Zeitschrift fur Kristallographie 214 (1999) 135-138
Crystal chemistry of inorganic compounds based on chains of oxocentered
tetrahedra. III. Crystal structure of georgbokiite, Cu5O2(SeO3)2Cl2
Locality: Tolbachik volcano, Kamchatka, Russia
_database_code_amcsd 0011082
6.030 13.744 5.562 90 95.75 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  .4304 .18954 .5552 .0177  .0200  .0171  .0167  .0020  .0054  .0016
Cu2     .5      0     0 .0163  .0155  .0206  .0130  .0030  .0028  .0025
Cu3  .2593 .99640 .4868 .0160  .0126  .0191  .0164  .0005  .0017 -.0026
Se   .0620 .13521 .8999 .0149  .0134  .0174  .0143  .0009  .0024  .0003
O1   .5030  .0618 .6805 .0165   .015   .020   .015  -.002   .003   .000
O2   .2234  .0596 .0767 .0186   .012   .026   .018   .002   .002   .003
O3    .027  .0728 .6330 .0173   .017   .017   .017  -.002   .001  -.003
O4   .2469  .2216 .8163 .0189   .021   .019   .016  -.003   .004   .003
Cl   .6712  .1750 .2657 .0209  .0208  .0239  .0187  .0027  .0053  .0025
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Urusovite
 
Krivovichev S V, Molchanov A V, Filatov S K
 
Crystallography Reports 45 (2000) 723-727
Crystal structure of urusovite Cu(AlAsO5): a new type of an aluminoarsenate
tetrahedral polyanion
Locality: Kamchatka peninsula, Russia
_database_code_amcsd 0012367
7.335 10.255 5.599 90 99.79 90 P2_1/c
atom     x      y     z  Uiso
Cu   .4618 .14033 .9095 .0102
Al   .1455  .1770 .4355 .0080
As   .7257 .10839 .4261 .0082
O1   .6231  .0407 .1596  .013
O2   .9041  .1996 .3745 .0123
O3   .5707  .1946 .5470 .0110
O4   .2354  .2223 .7328 .0101
O5   .1984  .0136 .3844  .013
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Ponomarevite
Download hom/ponomarevite.pdf
Semenova T F, Rozhdestvenskaya I V, Filatov S K, Verasova L P
 
Doklady Akademii Nauk SSSR 304 (1989) 427-430
Crystal structure of a new mineral ponomarevite, K4Cu4OCl10
Locality: the main Tolbachik fissure eruption (1975-76), Kamchatka
_database_code_amcsd 0012479
14.740 14.900 8.948 90 104.79 90 C2/c
atom      x      y       z Biso
Cul  .43862 .29086  .36773  171
Cu2  .40822 .14100  .11418  196
K1   .34083 .12926  .62424  280
K2   .13154 .07278  .14001  259
Cl1      .5 .41468     .25  274
Cl2  .05220 .27569  .08479  250
Cl3  .30406 .20443  .27378  275
Cl4  .29454 .05970 -.04216  258
Cl5  .37874 .38144  .51880  261
Cl6      .5 .01969     .25  346
O        .5 .21591     .25  154
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Alumoklyuchevskite
Download hom/alumoklyuchevskite.pdf
Krivovichev S V, Filatov S K, Cherepansky P N
 
Geology of Ore Deposits 51 (2009) 656-662
The crystal structure of alumoklyuchevskite, K3Cu3AlO2(SO4)4
Locality: Great Tolbachik Fissure Eruption,
Kamchatka Peninsula, Russia, 1975-1976
_database_code_amcsd 0017777
18.772 4.967 18.468 90 101.66 90 I2
atom     x      y     z occ  Uiso
K1      .5   .483    .5      .031
K2       0   .464    .5      .025
K3   .3700   .519 .7465      .020
K4   .4294   .037 .2776      .034
Cu1  .1866  .0018 .5327     .0211
Cu2  .2600 -.0137 .4098     .0139
Cu3  .1693  .4850 .4167     .0129
AlMc .3025   .514 .5282 .64  .020
FeMc .3025   .514 .5282 .36  .020
S1   .1835   .503 .6259      .029
S2   .3309   .487 .3649      .014
S3   .0728  -.015 .3692      .013
S4   .4059   .024 .6022      .019
O1   .1838   .460 .7051       .04
O2   .1338   .356 .5718       .04
O3   .1607   .786 .6087      .017
O4   .2603   .480 .6170      .017
O5   .3563   .560 .4428      .005
O6   .3894   .434 .3248       .04
O7   .3124   .777 .3569      .033
O8   .2650   .329 .3417      .034
O9   .0067  -.048 .3160      .049
O10  .0901   .700 .3594      .034
O11  .0650   .024 .4453      .031
O12  .1311   .156 .3551      .036
O13  .4734   .028 .5763      .018
O14  .4147  -.005 .6823      .023
O15  .3845   .310 .5831      .028
O16  .3476  .8556 .5651      .025
O17   .232   .732  .480       .04
O18   .233   .231  .476       .04
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Kamchatkite
Download hom/kamchatkite.pdf
Varaksina T V, Fundamensky V S, Filatov S K, Vergasova L P
Download mm/vol54/MM54_613.pdf
Mineralogical Magazine 54 (1990) 613-616
The crystal structure of kamchatkite, a new naturally occuring
oxychloride sulphate of potassium and copper
Locality: Tolbachik Main Fracture eruption, Kamchatka, Russia
_database_code_amcsd 0014493
9.741 12.858 7.001 90 90 90 Pna2_1
atom      x      y     z Biso
K     .1346  .5745 .8472 2.19
Cu1   .1520 .14914 .8363  .97
Cu2   .2221 .90739 .8353  .95
Cu3  -.0012 -.0009 .0811  .88
S1    .1694  .8542 .3394  .81
S2    .0710  .2097 .3353  .92
O1    .1759  .9250 .5069  1.0
O2    .0455  .7907 .3188 1.03
O3    .2065  .2930 .8423 1.32
O4    .1722  .9221 .1645  1.7
O5    .0793  .7888 .8458  1.1
O6    .1287  .1569 .4991  1.6
O7    .1154  .3211 .3509 1.35
O8    .1171  .1540 .1623   .9
O9    .0797  .0101 .8227   .7
Cl    .1344  .5586 .3396 1.68
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Fedotovite
Download hom/fedotovite.pdf
Starova G L, Filatov S K, Fundamensky V S, Vergasova L P
Download mm/vol55/MM55_613.pdf
Mineralogical Magazine 55 (1991) 613-616
The crystal structure of fedotovite, K2Cu3O(SO4)3
Locality: Tolbachik fissure eruption, Kamchatka Peninsula, Russia
Note: x(S3), z(S3), and z(O11) changed to match bond length table
_database_code_amcsd 0014494
19.0370 9.479 14.231 90 111.04 90 C2/c
atom      x      y      z  B(1,1)  B(2,2)  B(3,3)   B(1,2)   B(1,3)   B(2,3)
K1   .32573  .7519  .4388 .001315 .008792 .004889  .000683  .000466 -.000040
K2    .1957  .7346  .1249 .001370 .012103 .005555  .000831  .000699 -.001450
Cu1  .48071 .01816 .34265 .001267 .003673 .001573  .000074  .000614 -.000357
Cu2  .48587 .47738 .14018 .001196 .004229 .001658 -.000089  .000583 -.000695
Cu3  .42119 .74635 .20615 .000934 .003172 .002494  .000015  .000445  .000159
S1   .50646  .7505  .4904 .001568 .003339 .001261  .000015  .000763  .000020
S2   .64724  .0261  .3652 .001196 .003812 .002211  .000282  .000403  .000238
S3   .35150  .4648  .2148 .001045 .004007 .002579 -.000252  .000657  .000159
O1       .5  .8908    .25 .001109 .003061 .001275  .000000  .000530  .000000
O2    .4501  .8269  .4066 .001584 .005287 .002211  .000148  .000752  .000894
O3    .5620  .6771  .4582 .002059 .005008 .002126 -.000163  .000191  .000834
O4    .4636  .6480  .5267 .001821 .004452 .002267  .000119  .000784 -.000913
O5    .5891  .0572  .4098 .001346 .008069 .002976 -.000297  .000561 -.001787
O6    .4051  .4394  .3183 .001505 .006956 .002551 -.000148  .000593 -.001430
O7    .3385  .6195  .2000 .001109 .004730 .005527  .000059  .000742  .000596
O8    .2803  .3966  .2007 .001425 .006399 .004393  .001039  .001059  .000199
O9    .5478  .8504  .5706 .001505 .004257 .002692 -.000074  .000763 -.001072
O10   .6215  .0720  .2585 .001663 .008069 .002551  .000891  .000530 -.001191
O11   .3844  .4150  .1430 .001742 .008069 .003259 -.001336  .001377 -.001589
O12      .5  .6045    .25 .000871 .002782 .001984  .000000  .000424  .000000
O13   .6606  .8707  .3699 .001267 .004452 .004535  .000238 -.000106  .000218
O14   .7169  .0959  .4243 .001346 .006121 .003401  .000742  .000318  .000397
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Sophiite
Download hom/sophiite.pdf
Semenova T F, Rozhdestvenskaya I V, Filatov S K, Vergasova L P
Download mm/vol56/MM56_241.pdf
Mineralogical Magazine 56 (1992) 241-245
Crystal structure and physical properties of sophiite, Zn2(SeO3)Cl2, a new mineral
Locality: Tolbachik Main Fracture Eruption, Kamchatka, Russia
Note: y(Zn2) corrected
_database_code_amcsd 0014495
10.251 15.223 7.666 90 90 90 Pccn
atom     x     y     z Biso  B(1,1)  B(2,2)  B(3,3)   B(1,2)   B(1,3)   B(2,3)
Zn1  .4942 .3850 .3493 1.71 .003973 .001985 .006892 -.000192  .000382 -.000857
Zn2  .7234 .4691 .1016 1.84 .002736 .003333 .005445  .000801 -.000350 -.000407
Se   .4636 .5909 .2241 1.22 .002450 .001413 .005658 -.000032  .000445 -.000021
Cl1  .2845 .3778 .4320 2.13 .003569 .002158 .012337 -.000481  .001273  .000643
Cl2  .5910 .2976 .1599 2.87 .009754 .002265 .010210  .001282  .002227 -.000643
O1   .4098 .5863 .4320  1.4 .002379 .002589 .003829 -.000481  .000954 -.000643
O2   .5473 .4947 .2097  1.5 .001665 .001726 .008934  .000320  .002227  .000214
O3   .3164 .5575 .1476  1.4 .003093 .002050 .004254  .000801  .002227 -.000214
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Sofiite
Download hom/sofiite.pdf
Semenova T F, Rozhdestvenskaya I V, Filatov S K, Vergasova L P
Download mm/vol56/MM56_241.pdf
Mineralogical Magazine 56 (1992) 241-245
Crystal structure and physical properties of sophiite, Zn2(SeO3)Cl2, a new mineral
Locality: Tolbachik Main Fracture Eruption, Kamchatka, Russia
Note: y(Zn2) corrected
_database_code_amcsd 0014495
10.251 15.223 7.666 90 90 90 Pccn
atom     x     y     z Biso  B(1,1)  B(2,2)  B(3,3)   B(1,2)   B(1,3)   B(2,3)
Zn1  .4942 .3850 .3493 1.71 .003973 .001985 .006892 -.000192  .000382 -.000857
Zn2  .7234 .4691 .1016 1.84 .002736 .003333 .005445  .000801 -.000350 -.000407
Se   .4636 .5909 .2241 1.22 .002450 .001413 .005658 -.000032  .000445 -.000021
Cl1  .2845 .3778 .4320 2.13 .003569 .002158 .012337 -.000481  .001273  .000643
Cl2  .5910 .2976 .1599 2.87 .009754 .002265 .010210  .001282  .002227 -.000643
O1   .4098 .5863 .4320  1.4 .002379 .002589 .003829 -.000481  .000954 -.000643
O2   .5473 .4947 .2097  1.5 .001665 .001726 .008934  .000320  .002227  .000214
O3   .3164 .5575 .1476  1.4 .003093 .002050 .004254  .000801  .002227 -.000214
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Klyuchevskite
Download hom/klyuchevskite.pdf
Gorskaya M G, Filatov S K, Rozhdestvenskaya I V, Vergasova L P
Download mm/vol56/MM56_411.pdf
Mineralogical Magazine 56 (1992) 411-416
The crystal structure of klyuchevskite, K3Cu3(Fe,Al)O2(SO4)4,
a new mineral from Kamchatka volcanic sublimates
Locality: Tolbachik Main Fracture Eruption, Kamchatka Peninsula, Russia
_database_code_amcsd 0014497
18.6670 4.94 18.405 90 101.5 90 I2
atom    x     y    z occ Biso
K1     .5  .448   .5     1.47
K2      0  .464   .5     1.69
K3    .37  .503 .746      1.5
K4   .429 -.019  .28     1.88
Cu1  .186     0 .535      1.5
Cu2  .259  .015  .41      1.2
Cu3   .17  .485 .416      1.0
Fe   .302  .528 .531 .82   .9
Al   .302  .528 .531 .18   .9
S1   .184  .535 .628     1.05
S2   .329   .48 .366     1.32
S3   .074 -.022 .366      .91
S4   .407   .02 .604     1.23
O1   .173   .48 .708      1.5
O2   .136  .334 .568      1.5
O3    .16    .8 .608      1.5
O4   .261  .521  .62      1.5
O5    .35  .507 .445      1.5
O6    .39  .443 .329      1.5
O7   .318  .776 .356      1.5
O8   .274  .233 .343      1.5
O9   .005  .038 .315      1.5
O10   .09  .663 .363      1.5
O11  .064  .027 .445      1.5
O12  .134  .178 .358      1.5
O13  .478  .014 .575      1.5
O14  .415  .052 .687      1.5
O15  .391  .331 .586      1.5
O16  .349  .841 .553      1.5
O17  .232  .755 .478      1.5
O18  .226  .254 .477      1.5
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Vlodavetsite
Download hom/vlodavetsite.pdf
Starova G L, Filatov S K, Matusevich G L, Fundamensky V S
Download mm/vol59/MM59_159.pdf
Mineralogical Magazine 59 (1995) 159-162
The crystal structure of vlodavetsite, AlCa2(SO4)2F2Cl*4H2O
Locality: Tolbachik Main Fracture Eruption, Kamchatka, Russia
_database_code_amcsd 0014515
6.870 6.870 13.342 90 90 90 I4/m
atom     x     y     z Biso
Al       0     0     0 1.13
Ca       0     0 .7015 1.06
S       .5     0   .75 1.05
F        0     0 .8688 1.40
Cl       0     0    .5 2.12
O1   .3372 .0635 .6859 1.64
O2   .0594 .2727     0 1.74
H     .078  .327  .051 1.95
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Averievite
Download hom/averievite.pdf
Starova G L, Krivovichev S V, Fundamensky V S, Filatov S K
Download mm/vol61/MM61_441.pdf
Mineralogical Magazine 61 (1997) 441-446
The crystal structure of averievite, Cu5O2(VO4)2*nMX:
comparison with related compounds
Note: Coordinates for O6 added to the dataset by Krivovichev Aug 2005
Locality: Main Tolbachik Fracture Eruption of Kamchatka
_database_code_amcsd 0014526
6.375 6.375 8.399 90 90 120 P3
atom    x    y      z occ   Uiso
Cu1     0    0      0       .018
Cu2  .338 .161   .280      .0096
Cu3   2/3  1/3  .5492       .023
Cu4   1/3  2/3 .01774 .69 .06333
Cu5   1/3  2/3 .53143 .32 .06333
V1    2/3  1/3  -.032       .008
V2      0    0   .584       .004
O1      0    0   .785       .032
O2    2/3  1/3   .339     .00887
O3      0    0   .244     .01013
O4    2/3  1/3  -.225       .009
O5   .379 .186   .031       .029
O6   .304 .143   .509       .017
Cl1   1/3  2/3 .27140     .06333
Cl2   1/3  2/3 .76793     .06333
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Markhininite
 
Siidra O I, Vergasova L P, Krivovichev S V, Kretser Y L, Zaitsev A N, Filatov S K
 
Mineralogical Magazine 78 (2014) 1687-1698
Unique thallium mineralization in the fumaroles of Tolbachik volcano, Kamchatka
Peninsula, Russia. I. Markhininite, TlBi(SO4)2
Locality: Tolbachik volcano, Kamchatka Peninsula, Russia
_database_code_amcsd 0020610
7.378 10.657 10.657 61.31 70.964 70.964 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)
Tl1       0     .5    .5 .0276   .034   .028   .027  -.006  -.008  -.016
Tl2      .5      0    .5 .0244   .011   .030   .035  -.005  -.005  -.015
Tl3      .5     .5     0 .0280   .036   .025   .027  -.006  -.012  -.009
Tl4       0      0     0 .0244   .012   .025   .035  -.004  -.010  -.009
Bi1  -.0301  .2804 .2499 .0170   .014   .019   .021 -.0031 -.0068  -.009
Bi2   .4696 -.2197 .2501 .0176   .015   .020   .021 -.0044 -.0058  -.010
S1     .043  -.108  .388  .013
S2     .451   .116  .114  .007
S3    -.460   .392  .384  .012
S4    -.058   .619  .113  .016
O1     .216  -.094  .416  .012
O2    -.286   .395  .409  .009
O3    -.161   .541  .090  .013
O4     .335   .053  .087  .007
O5     .557   .199 -.016  .029
O6     .332   .200  .197  .018
O7    -.183   .721  .180  .010
O8    -.575   .531  .308  .011
O9    -.073   .055  .310  .016
O10    .112  -.195  .292  .015
O11    .592   .015  .191  .014
O12   -.396   .320  .300  .036
O13   -.576   .327  .504  .038
O14   -.087  -.191  .538  .011
O15   -.058   .281  .032  .016
O16    .083   .484  .209  .022
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Karpovite
 
Siidra O I, Vergasova L P, Kretser Y L, Polekhovsky Y S,
Filatov S K, Krivovichev S V
 
Mineralogical Magazine 78 (2014) 1699-1709
Unique thallium mineralization in the fumaroles of the Tolbachik volcano,
Kamchatka Peninsula, Russia. II. Karpovite Tl2VO(SO4)2(H2O)
Locality: Tolbachik volcano, Kamchatka Peninsula, Russia
_database_code_amcsd 0020608
4.6524 11.0757 9.3876 90 98.353 90 P2_1
atom      x      y      z   Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Tl1  .10285 .40501 .58853 .02514 .02858 .02149 .02506 -.0020 .00291 -.0024
Tl2  .30897 .57438 .22068 .02802 .03550 .02296  .0255 -.0032 .00434 -.0013
V1    .9017 .26252 .19462 .01242  .0120  .0112  .0139  .0017  .0013 -.0009
S1    .4835 .17585  .4188 .01387  .0132  .0144  .0137 -.0008  .0010  .0016
S2    .6464 .80802  .0461 .01404  .0146  .0145  .0128  .0000  .0013 -.0023
O1    .3870  .0607  .4652  .0300   .036   .024   .031  -.012   .007   .011
Wat2  .0463  .0814  .1225  .0238  .0233  .0164  .0308   .002   .001  -.007
O3    .7923  .3900  .2449  .0216  .0228  .0154  .0272   .003   .006  -.004
O4    .6457  .2428  .5387  .0250  .0284  .0284  .0159  -.006  -.005  -.004
O5    .6653  .1538  .3027  .0210  .0233  .0154  .0263   .000   .011  -.001
O6    .8274  .8323  .9301  .0216  .0207  .0207  .0258   .003   .012   .004
O7    .8055  .7378  .1631  .0248  .0253  .0301  .0166   .000  -.004   .006
O8    .5575  .9263  .0951  .0273   .032  .0189   .031   .003   .007  -.011
O9    .3889  .7354  .9830  .0207  .0195  .0201  .0206  -.006  -.003   .001
O10   .2341  .2531  .3575  .0246  .0207  .0327  .0184   .007  -.004  -.006
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Evdokimovite
 
Siidra O I, Vergasova L P, Kretser Y L, Polekhovsky Y S,
Filatov S K, Krivovichev S V
 
Mineralogical Magazine 78 (2014) 1711-1724
Unique thallium mineralization in the fumaroles of the Tolbachik volcano,
Kamchatka Peninsula, Russia. III. Evdokimovite, Tl4(VO)3(SO4)5(H2O)5
Locality: Tolbachik volcano, Kamchatka Peninsula, Russia
_database_code_amcsd 0020611
6.2958 10.110 39.426 90 90.347 90 P2_1/n
atom      x      y      z occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Tl1   .5525 .13654 .20117     .0281  .0258  .0285  .0298  .0023 -.0038 -.0038
Tl2   .2937 .76251 .13287     .0315  .0386  .0288  .0271  .0001 -.0036  .0033
Tl3   .9115  .4624 .13815     .0341  .0424  .0287  .0315 -.0054  .0092  .0003
Tl4   .2703 -.0970 .03510 .70 .0865   .191  .0260   .042  -.002  -.005 -.0050
Tl4A   .062 -.0508  .0161 .17  .044   .035   .043   .054  -.004   .009  -.020
Tl4B   .429 -.0568  .0179 .13  .056   .065   .034   .069   .006  -.055  -.005
V1    .0387  .2572 .26966     .0142
V2    .7570  .0665 .10279     .0114
V3    .2535  .3305 .05437     .0083
S1    .2505  .1151  .1128     .0103
S2    .4681  .4781  .1899      .018
S3    .7508  .2947  .0462      .013
S4    .5346  .2762  .2854      .014
S5    .7589 -.2530  .0714      .026
O1     .504   .189  .3157      .009
O2     .072   .048  .0949      .017
O3     .758   .304  .0096      .019
Wat4   .756  -.077  .1396      .025
Wat5   .042   .164  .2163      .031
O6     .938   .369  .0611      .012
O7    -.431   .411  .2981      .013
O8     .723   .230  .2658      .028
Wat9   .251   .435  .0093      .026
O10    .247   .199  .0336      .019
O11    .760   .187  .1292      .026
O12    .753   .147  .0568      .014
O13    .744  -.110  .0707      .013
Wat14  .996   .421  .2407      .018
O15    .565   .367  .0621      .024
O16    .292   .388  .1881      .026
O17    .242   .110  .1487      .020
O18    .447  -.173  .1940      .021
O19    .446   .047  .1009      .023
Wat20  .252   .536  .0736      .026
O21    .359   .271  .2612      .020
O22    .261   .259  .1022      .022
O23    .770  -.296  .1088      .047
O24    .430   .565  .2194      .023
O25    .482   .552  .1584      .027
O26    .664   .401  .1960      .023
O27    .577  -.314  .0553      .066
O28    .924  -.287  .0515       .11
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Cs.82B1.09Si1.98O6
 
Bubnova R S, Stepanov N K, Levin A A, Filatov S K, Paufler P, Meyer D C
 
Solid State Sciences 6 (2004) 629-627
Crystal structure and thermal behaviour of boropollucite CsBSi2O6
_database_code_amcsd 0015521
13.009 13.009 13.009 90 90 90 Ia-3d
atom      x      y      z  occ Biso U(1,1) U(2,2) U(3,3) U(1,2)  U(1,3) U(2,3)
Cs     .125   .125   .125 .814 2.49 .03129 .03129 .03129 .00553  .00553 .00553
B      .125 .16169 .41169 .365 1.28 .01800 .01552 .01552 .00189 -.00189 .00304
Si     .125 .16169 .41169 .659 1.28 .01800 .01552 .01552 .00189 -.00189 .00304
O    .10437 .13369 .71953      2.70 .03824 .03884 .02469 .00694  .00857 .00733
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Lammerite-beta
 
Starova G L, Vergasova L P, Filatov S K, Britvin S N, Ananyev V V
 
Zapiski Rossiiskogo Mineralogicheskogo Obshchetstva 140 (2011) 46-51
Lammerite-beta, Cu3(AsO4)2 - a new mineral from fumaroles of the Great
Fissure Tolbachic eruption (Kamchatka, Russia)
Locality: Second cinder cone, North Branch, Tolbach volcano, Kamchatka, Russia
_database_code_amcsd 0018801
6.306 8.643 11.310 90 92.26 90 P2_1/c
atom      x      y     z Uiso
Cu1   .2429  .1645 .6322 .010
Cu2  -.0925  .1900 .4316 .008
Cu3  -.6172  .0312 .1225 .011
As1  -.5861  .1137 .3681 .005
As2  -.1040  .0603 .1509 .006
O1   -.0411  .2404 .1044 .009
O2   -.5177 -.0717 .3641 .012
O3   -.3970  .2394 .4177 .009
O4   -.6597  .1556 .2262 .010
O5    .0840 -.0689 .1188 .010
O6   -.1287  .0510 .2983 .010
O7   -.3289 -.0022 .0835 .011
O8    .2031  .1304 .4554 .013
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Bradaczekite
 
Krivovichev S V, Filatov S K, Burns P C
 
Zapiski Vserossijskogo Mineralogicheskogo Obshchestva 2001 (2001) 1-8
The Jahn-Teller distortion of copper coordination polyhedra in the alluaudite
structural type: Crystal structure of bradaczekite, NaCu4(AsO4)3
_database_code_amcsd 0015718
12.053 12.432 7.2529 90 117.793 90 C2/c
atom      x      y      z  Uiso
Na        0  .4924    .25 .0209
Cu1       0 .00439    .25 .0099
Cu2  .78021 .34367 .86019 .0108
Cu3       0 .76511    .25 .0140
As1  .22752 .38288 .12152 .0071
As2       0 .22278    .25 .0076
O1    .1672  .5053  .1180 .0128
O2    .8970  .1230  .2418 .0107
O3    .3819  .3893  .1763 .0136
O4    .2212  .3075  .3080 .0106
O5    .1456  .3328  .8786 .0108
O6   -.0430  .2971  .0365 .0144
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Total number of retrieved datasets: 34
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