American Mineralogist Crystal Structure Database

28 matching records for this search.

Demicheleite-(Br)
 
Demartin F, Gramaccioli C M, Campostrini I, Orlandi P
Download am/vol93/AM93_1603.pdf
American Mineralogist 93 (2008) 1603-1607
Demicheleite, BiSBr, a new mineral from La Fossa crater, Vulcano,
Aeolian Islands, Italy
Locality: La Fossa crater, Vulcano, Aeolian Islands, Italy
_database_code_amcsd 0004679
8.0424 9.8511 4.0328 90 90 90 Pnam
atom      x      y   z occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Bi   .13741 .13177 1/4 .99 .0189  .0191  .0188  .0189 -.0030      0      0
S     .8303  .0516 1/4 .97 .0157  .0139  .0170  .0163  .0015      0      0
Br    .5133  .8222 1/4 .67 .0224  .0219  .0241  .0211 -.0026      0      0
Cl    .5133  .8222 1/4 .35 .0224  .0219  .0241  .0211 -.0026      0      0
I     .5133  .8222 1/4 .02 .0224  .0219  .0241  .0211 -.0026      0      0
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Demicheleite-(Cl)
 
Demartin F, Gramaccioli C M, Campostrini I
Download am/vol94/AM94_1045.pdf
American Mineralogist 94 (2009) 1045-1048
Demicheleite-(Cl), BiS,Cl, a new mineral from La Fossa crater, Vulcano,
Aeolian Islands, Italy
Locality: La Fossa crater, Vulcano, Aeolian Islands, Italy
_database_code_amcsd 0004960
7.802 9.930 3.9905 90 90 90 Pnam
atom      x      y   z occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Bi   .13874 .13250 .25     .0187  .0202  .0196  .0162 -.0026      0      0
Cl    .5176  .8115 .25 .90 .0247  .0247  .0276  .0218 -.0038      0      0
Br    .5176  .8115 .25 .10 .0247  .0247  .0276  .0218 -.0038      0      0
S     .8226  .0495 .25     .0143  .0162  .0134  .0132  .0014      0      0
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Argesite
 
Demartin F, Campostrini I, Castellano C, Gramaccioli C M
 
American Mineralogist 97 (2012) 1446-1451
Argesite, (NH4)7Bi3Cl16, a new mineral from La Fossa Crater, Vulcano,
Aeolian Islands, Italy: A first example of the [Bi2Cl10]4- anion
Locality: La Fossa Crater, Vulcano, Aeolian Islands, Italy
_database_code_amcsd 0019257
13.093 13.093 102.682 90 90 120 R-3c
atom      x      y        z  occ   Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Bi1  .66697 .66628  .061525      .03218 .01539 .04562 .02683 .00872 -.0005 -.0010
Bi2     1/3    2/3  .001711      .02618 .03031 .03031 .01793 .01515      0      0
Bi3     1/3    2/3      1/6      .03851 .01684 .01684  .0818 .00842      0      0
Cl1  .42424 .53716  .061762       .0338  .0268  .0458  .0356  .0233  .0014  .0010
Cl2  .90924 .77942  .061746       .0333  .0270  .0286  .0325  .0051  .0014 -.0019
Cl3  .66682 .50816  .044966       .0392  .0154  .0379  .0571  .0079  .0004 -.0304
Cl4  .66707 .79390  .042206 .778  .0623  .0869  .0590  .0483  .0421  .0003  .0141
Br4  .66707 .79390  .042206 .222  .0623  .0869  .0590  .0483  .0421  .0003  .0141
Cl5     2/3 .51733     1/12       .0310  .0219  .0304  .0378  .0111 -.0009 -.0004
Cl6     2/3 .81028     1/12 .686  .0573  .0930  .0482  .0456  .0465 -.0031 -.0015
Br6     2/3 .81028     1/12 .314  .0573  .0930  .0482  .0456  .0465 -.0031 -.0015
Cl7  .37243 .51729  .015372 .667  .0865  .0721  .0598  .1442  .0456  .0129  .0151
Br7  .37243 .51729  .015372 .333  .0865  .0721  .0598  .1442  .0456  .0129  .0151
Cl8  .34075 .83637 -.015537       .0458  .0466  .0532  .0509  .0351 -.0084 -.0028
Cl9  .19199 .47653   .18176       .0843  .0406  .0367  .1736  .0177  .0183 -.0044
N1    .3378  .9918  .011783       .0460
H1    .3378  .9918  .011783    4  .0460
N2      2/3 1.0491     1/12 .643  .0426
H2      2/3 1.0491     1/12 2.57  .0426
K2      2/3 1.0491     1/12 .357  .0426
N3   .33370 .95776 -.038254 .738  .0395
H3   .33370 .95776 -.038254 2.95  .0395
K3   .33370 .95776 -.038254 .262  .0395
N4      1/3    2/3   .04085 .508  .0735
H4      1/3    2/3   .04085 2.03  .0735
K4      1/3    2/3   .04085 .492  .0735
N5      1/3    2/3   .08236       .0252
H5      1/3    2/3   .08236    4  .0252
N6        0      0   .04037       .0461
H6        0      0   .04037    4  .0461
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Aiolosite
 
Demartin F, Gramaccioli C M, Campostrini I, Pilati T
Download am/vol95/AM95_382.pdf
American Mineralogist 95 (2010) 382-385
Aiolosite, Na2(Na2Bi)(SO4)3Cl, a new sulfate isotypic to apatite
from La Fossa Crater, Vulcano, Aeolian Islands, Italy
Locality: La Fossa Crater, Vulcano Island, Aeolian Archipelago, Sicily Italy
_database_code_amcsd 0005030
9.626 9.626 6.880 90 90 120 P6_3/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)
Na1    1/3   2/3 .0067      .0206  .0213  .0213  .0193  .0107      0      0
Na2  .2534 .9990   .25 .712 .0331  .0339  .0225  .0425  .0137      0      0
Bi   .2534 .9990   .25 .288 .0331  .0339  .0225  .0425  .0137      0      0
S    .4029 .3742   .25      .0201  .0195  .0187  .0219  .0095      0      0
O1   .3320 .4775   .25       .036   .048   .044   .032   .036      0      0
O2   .5776 .4664   .25       .058   .022   .032   .114   .010      0      0
O3   .3543 .2695 .0800       .064   .105   .061   .053   .060  -.046  -.033
Cl       0     0     0  .74  .087
Br       0     0     0  .07  .087
Wat      0     0   .25  .19   .08   .050   .050   .162   .025      0      0
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Demartinite
 
Gramaccioli C M, Campostrini I
Download cm/vol45/CM45_1275.pdf
The Canadian Mineralogist 45 (2007) 1275-1280
Demartinite, a new polymorph of K2SiF6 from La Fossa Crater, Vulcano,
Aeolian Islands, Italy
Locality: La Fossa Crater, Vulcano Island, Aeolian Archipelago, Sicily, Italy
_database_code_amcsd 0006157
5.6461 5.6461 9.2322 90 90 120 P6_3mc
atom      x      y      z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
K1      2/3    1/3 .09275  .0188  .0188  .0210  .0094      0      0
K2        0      0 .81199  .0244  .0244  .0294  .0122      0      0
Si      1/3    2/3 .97559  .0134  .0134  .0142  .0067      0      0
F1   .61751 .80875 .07798  .0185  .0242  .0248  .0093 -.0079 -.0040
F2   .05287 .52644 .86889  .0184  .0260  .0240  .0092 -.0068 -.0034
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Mckelveyite-(Y)
Download hom/mckelveyitey.pdf
Demartin F, Gramaccioli C M, Campostrini I, Diella V
Download cm/vol46/CM46_195.pdf
The Canadian Mineralogist 46 (2008) 195-203
The crystal structure of mckelveyite-(Y)-2M, a new monoclinic polytype from
Val Malenco, Italian Alps
Locality: "Cava Fabi," talc quarry near Lanzada, Val Malenco, Lombardy, Italy
_database_code_amcsd 0006180
15.8213 9.1364 13.7522 90 112.44 90 Cc
atom       x       y      z occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Na     .1646  -.0834 -.0068      .018   .021   .012   .023  -.000   .010   .001
Ba1   .06707  .07929 .19538 .93 .0089  .0084  .0077  .0111 -.0001  .0043 -.0003
Sr1   .06707  .07929 .19538 .07 .0089  .0084  .0077  .0111 -.0001  .0043 -.0003
Ba2  -.10600  .58255 .19136 .93 .0100  .0101  .0092  .0112  .0003  .0046 -.0007
Sr2  -.10600  .58255 .19136 .07 .0100  .0101  .0092  .0112  .0003  .0046 -.0007
Ba3   .23060  .58870 .18838 .93 .0124  .0112  .0115  .0153 -.0008  .0059 -.0007
Sr3   .23060  .58870 .18838 .07 .0124  .0112  .0115  .0153 -.0008  .0059 -.0007
Ca   -.16659 -.08353 -.0044 .83 .0165  .0173  .0167  .0160  .0009  .0070  .0005
NaCa -.16659 -.08353 -.0044 .07 .0165  .0173  .0167  .0160  .0009  .0070  .0005
SrCa -.16659 -.08353 -.0044 .10 .0165  .0173  .0167  .0160  .0009  .0070  .0005
Y          0  .41563      0 .74 .0068  .0061  .0061  .0088 -.0001  .0033 -.0001
CeY        0  .41563      0 .13 .0068  .0061  .0061  .0088 -.0001  .0033 -.0001
CaY        0  .41563      0 .12 .0068  .0061  .0061  .0088 -.0001  .0033 -.0001
C1     .0387  -.2510  .1166      .014
C2     .2053   .2559  .1164      .011
C3    -.1264   .2531  .1174      .012
C4     .0126   .1476 -.0991      .015
C5     .0784   .6198 -.0978      .014
C6    -.1899   .4833 -.0984      .014
O11   -.0320  -.1849  .1164      .014   .009   .013   .022   .008   .006   .001
O12    .1048  -.1844  .1119      .015   .016   .008   .026  -.002   .012   .003
O13    .0425  -.3951  .1288      .012   .015   .005   .019   .002   .009  -.002
O21    .2033   .1135  .1086      .016   .018   .007   .026  -.001   .011  -.003
O22    .1388   .3243  .1265      .011   .007   .011   .015   .005   .002   .004
O23    .2754   .3257  .1208      .013   .013   .007   .022  -.001   .009   .003
O31   -.1253   .1086  .1176      .014   .018   .005   .023   .001   .013   .000
O32   -.0546   .3215  .1242      .010   .013   .006   .013   .000   .007   .002
O33   -.1956   .3197  .1152      .016   .011   .010   .032   .008   .012   .005
O41    .0271   .2765 -.1328      .018   .018   .013   .026   .001   .012   .000
O42   -.0163   .1482 -.0238      .019   .027   .022   .012   .002   .011  -.002
O43    .0263   .0294 -.1399      .020   .026   .017   .021   .001   .012  -.004
O51    .1292   .5399 -.0242      .018   .017   .020   .018   .000   .007   .008
O52   -.0099   .5954 -.1309      .019   .015   .018   .027   .000   .009   .004
O53    .1100   .7210 -.1379      .021   .021   .020   .022  -.004   .010   .005
O61   -.1377   .5629 -.0233      .021   .015   .026   .021   .000   .005  -.006
O62   -.1506   .3792 -.1315      .019   .013   .021   .024  -.001   .009  -.004
O63   -.2764   .5017 -.1385      .022   .011   .025   .026   .003   .004  -.003
Wat1  -.1062  -.1522 -.1350      .020   .018   .021   .022   .004   .009   .001
Wat2  -.2303   .1071 -.1335      .021   .018   .019   .024   .002   .005   .003
Wat3  -.2976  -.2077 -.1330      .021   .016   .024   .022  -.002   .007  -.003
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Knasibfite
 
Demartin F, Gramaccioli C M, Campostrini I, Orlandi P
Download cm/vol46/CM46_447.pdf
The Canadian Mineralogist 46 (2008) 447-453
Knasibfite, K3Na4[SiF6]3[BF4], a new hexafluorosilicate-tetrafluoroborate
from La Fossa Crater, Vulcano, Aeolian Islands, Italy
Locality: La Fossa Crater, Vulcano, Aeolian Islands, Italy
_database_code_amcsd 0006186
5.522 17.106 9.175 90 90 90 Imm2
atom      x      y     z  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
K1      1/2 .37387 .2826 .0353  .0399  .0283  .0376      0      0  .0088
K2      1/2      0 .4448 .0266  .0273  .0242  .0282      0      0      0
Na1       0  .1714 .3514 .0333  .0375  .0319  .0304      0      0  .0011
Na2       0  .3583 .6039 .0226  .0247  .0195  .0235      0      0 -.0036
Si1       0      0 .2030 .0187  .0172  .0147  .0242      0      0      0
Si2     1/2  .2142 .5193 .0192  .0192  .0182  .0201      0      0 -.0015
F1        0      0 .3864 .0334   .027   .050   .023      0      0      0
F2        0      0 .0242 .0393   .038   .057   .023      0      0      0
F3    .2144  .0697 .2094 .0368  .0312  .0285  .0507  .0153 -.0014  .0035
F4      1/2  .2254 .6987 .0473   .079   .044   .019      0      0  -.009
F5      1/2  .2038 .3369 .0328   .048   .028   .023      0      0  -.005
F6    .7156 .14567 .5318 .0350  .0299  .0298  .0455  .0131  .0043  .0063
F7    .2853 .28234 .5000 .0423  .0410  .0359   .050  .0183  .0111  .0064
F8    .2043    1/2 .2255 .0314   .027   .032   .035      0  .0042      0
F9        0  .4332 .3987 .0412   .053   .034   .036      0      0   .016
B         0    1/2 .3131 .0260   .030   .022   .025      0      0      0
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Thermessaite
 
Demartin F, Gramaccioli C M, Campostrini I, Orlandi P
Download cm/vol46/CM46_693.pdf
The Canadian Mineralogist 46 (2008) 693-700
Thermessaite, K2[AlF3|SO4], a new ino-aluminofluoride-sulfate from La Fossa crater, Vulcano, Aeolian Islands, Italy
Locality: La Fossa crater, Vulcano, Aeolian Islands, Italy
Note: z-coordinate of S altered
_database_code_amcsd 0006194
10.810 8.336 6.822 90 90 90 Pbcn
atom      x      y      z  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
K    .69572 .32309 .20090 .0232  .0212  .0237  .0246  .0027 -.0043 -.0082
Al      1/2      0      0 .0102  .0117  .0116  .0074 -.0004  .0002  .0000
F1    .8438  .4474  .4773 .0174  .0128  .0203  .0191 -.0023 -.0015 -.0013
F2      1/2  .0840    1/4 .0155  .0240  .0146  .0077      0  .0010      0
S         0 .18950    .25 .0125  .0165  .0102  .0108      0  .0004      0
O1   -.1002  .0950  .3301 .0245  .0309  .0215  .0211 -.0118  .0012  .0058
O2   -.0528  .2958  .0936 .0146  .0189  .0124  .0125 -.0014 -.0026  .0021
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Hephaistosite
 
Campostrini I, Demartin F, Gramaccioli C M, Orlandi P
Download cm/vol46/CM46_701.pdf
The Canadian Mineralogist 46 (2008) 701-708
Hephaistosite, TlPb2Cl5, a new thallium mineral series from La Fossa Crater,
Vulcano, Aeolian Islands, Italy
Location: La Fossa Crater, Vulcano, Aeolian Islands, Italy
_database_code_amcsd 0006195
8.9477 7.9218 12.4955 90 90.092 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)
Tl   .98934 -.05117 .16638 .0341  .0314  .0340  .0368  .0058  .0030  .0059
Pb1  .49483 -.00984 .17439 .0235  .0250  .0239  .0215 -.0028  .0003 -.0017
Pb2  .75346  .43582  .0062 .0206  .0185  .0223  .0209  .0007  .0011 -.0015
Cl1   .0409   .3220  .0800 .0269  .0170  .0262  .0375 -.0005  .0005  .0156
Cl2   .4574   .3343  .0965 .0210  .0179  .0185  .0266  .0017 -.0003  .0044
Cl3   .2748   .1575  .3118 .0209  .0269  .0206  .0152  .0073  .0073  .0047
Cl4   .7189   .0408  .0016 .0203  .0220  .0207  .0183  .0003  .0006 -.0015
Cl5   .7308   .1875  .2782 .0221  .0245  .0223  .0196 -.0021 -.0001 -.0019
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Panichiite
 
Demartin F, Campostrini I, Gramaccioli C M
Download cm/vol47/CM47_367.pdf
The Canadian Mineralogist 47 (2009) 367-372
Panichiite, natural ammonium hexachlorostannate(IV), (NH4)2SnCl6,
from La Fossa crater, Vulcano, Aeolian Islands, Italy
Locality: La Fossa crater, Vulcano, Aeolian Islands, Italy
_database_code_amcsd 0006286
10.064 10.064 10.064 90 90 90 Fm3m
atom    x      y    z   Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Sn      0      0    0 .02359 .02359 .02359 .02359      0      0      0
Cl      0 .24131    0 .03669  .0443  .0215  .0443      0      0      0
N     .25    .25  .25  .0400  .0400  .0400  .0400      0      0      0
H    .307   .307 .307    .25
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Steropesite
 
Demartin F, Gramaccioli C M, Campostrini I
Download cm/vol47/CM47_373.pdf
The Canadian Mineralogist 47 (2009) 373-380
Steropesite, Tl3BiCl6, a new thallium bismuth chloride from La Fossa crater, Vulcano, Aeolian Islands, Italy
Locality: La Fossa crater, Vulcano, Aeolian Islands, Italy
_database_code_amcsd 0006287
26.686 15.127 13.014 90 108.11 90 Cc
atom        x       y       z  occ  Uiso U(1,1) U(2,2) U(3,3)  U(1,2) U(1,3)  U(2,3)
Tll   -.03318 -.36844 -.48112      .0602  .0463  .0612  .0668  -.0022  .0087   .0125
Tl2   -.16074 -.36256 -.20010      .0572  .0386  .0753  .0549   .0019  .0104   .0127
Tl3   -.05407  .15439  .52552      .0775  .0842  .0958  .0837   .0309  .0393   .0330
Tl4    .33229 -.66856  .25163      .0500  .0387  .0610  .0492  -.0072 .00092   .0011
Tl5    .15839 -.33754  .63392      .0515  .0385  .0491  .0663   .0093  .0152   .0157
Tl6   -.33490  .11361 -.02024      .0597  .0315  .0729  .0690  -.0003  .0072   .0175
Tl7    .05579 -.38652  .23997      .0875  .0540  .1358  .0741   .0099  .0220   .0478
Tl8    .02533 -.10958 -.28359      .0632  .0541  .0735  .0624  -.0106  .0184  -.0186
Tl9   -.34696  .42358 -.53056      .0510  .0396  .0547  .0557   .0002  .0104  -.0050
Tl10   .15184 -.13637  .14403      .0674  .0467  .0626  .0929  -.0148  .0216  -.0173
Tl11  -.16214  .10996  .11014      .0550  .0323  .0588  .0714   .0081  .0127   .0131
Tl12  -.15739 -.58543 -.38805      .0666  .0514  .0589  .0918  -.0154  .0256  -.0370
Bi1   -.00830 -.12480  .36968      .0250  .0260  .0274  .0223   .0044  .0086   .0024
Bi2    .24734 -.37303  .37604      .0238  .0199  .0269  .0236  -.0018  .0054  -.0015
Bi3    .00352 -.37326 -.11938      .0243  .0242  .0279  .0205  -.0011  .0064  -.0015
Bi4   -.25202  .37855 -.13153      .0281  .0210  .0312  .0297  -.0001  .0048  -.0021
Cll    -.0495  -.2766   .2645 .887  .049   .061   .032   .054    .004   .017   -.016
Brl    -.0495  -.2766   .2645 .093  .049   .061   .032   .054    .004   .017   -.016
Cl2     .0566  -.1091   .2496 .887  .052   .038   .089   .036    .013   .019    .009
Br2     .0566  -.1091   .2496 .093  .052   .038   .089   .036    .013   .019    .009
Cl3     .0362   .0259   .4751 .887  .051   .052   .045   .055   -.004   .014   -.021
Br3     .0362   .0259   .4751 .093  .051   .052   .045   .055   -.004   .014   -.021
Cl4    -.0741  -.1512   .4940 .887  .047   .041   .073   .035    .007   .024    .002
Br4    -.0741  -.1512   .4940 .093  .047   .041   .073   .035    .007   .024    .002
Cl5    -.0797  -.0315   .2079 .887  .055   .035   .071   .054    .018   .007    .028
Br5    -.0797  -.0315   .2079 .093  .055   .035   .071   .054    .018   .007    .028
Cl6     .0626  -.2147   .5197 .887  .057   .044   .063   .066    .029   .022    .038
Br6     .0626  -.2147   .5197 .093  .057   .044   .063   .066    .029   .022    .038
Cl7     .2456  -.2892   .1925 .887  .042   .057   .038   .033   -.002   .015    .009
Br7     .2456  -.2892   .1925 .093  .042   .057   .038   .033   -.002   .015    .009
Cl8     .1624  -.2678   .3816 .887  .049   .053   .036   .061    .014   .020   -.002
Br8     .1624  -.2678   .3816 .093  .049   .053   .036   .061    .014   .020   -.002
Cl9     .2485  -.4548   .5676 .887  .043   .036   .052   .037   -.003   .007   -.002
Br9     .2485  -.4548   .5676 .093  .043   .036   .052   .037   -.003   .007   -.002
Cl10    .3296  -.4767   .3657 .887  .046   .046   .042   .051    .013   .017   -.014
Br10    .3296  -.4767   .3657 .093  .046   .046   .042   .051    .013   .017   -.014
Clll    .3274  -.2629   .4941 .887  .041   .039   .043   .036   -.007   .005   -.005
Brll    .3274  -.2629   .4941 .093  .041   .039   .043   .036   -.007   .005   -.005
Cl12    .1725  -.4835   .2661 .887  .053   .048   .039   .069   -.013   .015   -.021
Br12    .1725  -.4835   .2661 .093  .053   .048   .039   .069   -.013   .015   -.021
Cl13   -.0561  -.3965   .0096 .887  .048   .045   .061   .041    0003   .020    .008
Br13   -.0561  -.3965   .0096 .093  .048   .045   .061   .041    0003   .020    .008
Cl14    .0647  -.5176  -.0211 .887  .047   .042   .041   .052   -.003   .007    .011
Br14    .0647  -.5176  -.0211 .093  .047   .042   .041   .052   -.003   .007    .011
Cl15    .0650  -.3522  -.2471 .887  .056   .035   .094   .043    .007   .020   -.001
Br15    .0650  -.3522  -.2471 .093  .056   .035   .094   .043    .007   .020   -.001
Cl16   -.0605  -.2329  -.2169 .887  .051   .048   .044   .060    .007   .016    .015
Br16   -.0605  -.2329  -.2169 .093  .051   .048   .044   .060    .007   .016    .015
Cl17    .0684  -.2725   .0408 .887  .050   .058   .044   .045   -.017   .015   -.013
Br17    .0684  -.2725   .0408 .093  .050   .058   .044   .045   -.017   .015   -.013
Cl18   -.0590  -.4767  -.2649 .887  .071   .071   .080   .065   -.016   .028   -.036
Br18   -.0590  -.4767  -.2649 .093  .071   .071   .080   .065   -.016   .028   -.036
Cl19   -.3546   .3652  -.1549 .887  .016   .017   .151   .280    .000   .015   -.098
Br19   -.3546   .3652  -.1549 .093  .016   .017   .151   .280    .000   .015   -.098
Cl20   -.2389   .4212   .0757 .887  .066   .094   .064   .038   -.013   .017    .007
Br20   -.2389   .4212   .0757 .093  .066   .094   .064   .038   -.013   .017    .007
Cl21   -.1497   .4086  -.1122 .887  .064   .026   .070   .091   -.003   .014    .013
Br21   -.1497   .4086  -.1122 .093  .064   .026   .070   .091   -.003   .014    .013
Cl22   -.2622   .3312  -.3408 .887  .054   .070   .058   .030    .003   .010    .008
Br22   -.2622   .3312  -.3408 .093  .054   .070   .058   .030    .003   .010    .008
Cl23   -.2618   .5571  -.1552 .887  .074   .097   .058   .078    .020   .044    .018
Br23   -.2618   .5571  -.1552 .093  .074   .097   .058   .078    .020   .044    .018
Cl24   -.2437   .2002  -.1012 .887  .055   .082   .037   .059    .010   .042    .012
Br24   -.2437   .2002  -.1012 .093  .055   .082   .037   .059    .010   .042    .012
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Brontesite
Download hom/brontesite.pdf
Demartin F, Gramaccioli C M, Campostrini I
Download cm/vol47/CM47_1237.pdf
The Canadian Mineralogist 47 (2009) 1237-1243
Brontesite, (NH4)3PbCl5, a new product of fumarolic activity from La Fossa Crater,
Vulcano, Aeolian Islands, Italy
Locality: La Fossa Crater, Vulcano, Aeolian Islands, Italy
_database_code_amcsd 0006299
8.4351 15.7732 8.4446 90 90 90 Pnma
atom       x      y      z occ   Uiso U(1,1) U(2,2) U(3,3) U(1,2)  U(1,3) U(2,3)
Pb    .08521    .25 .84823 .94 .02880 .02789 .02904 .02946      0 -.00501      0
N     .08521    .25 .84823 .08 .02880 .02789 .02904 .02946      0 -.00501      0
N1    -.5706    .25  .1515 .90  .0345  .0333  .0354  .0346      0  -.0050      0
Pb1   -.5706    .25  .1515 .11  .0345  .0333  .0354  .0346      0  -.0050      0
N2    -.2369  .4519  .0375 .96  .0483  .0548  .0348  .0553  .0037   .0117  .0102
Pb2   -.2369  .4519  .0375 .02  .0483  .0548  .0348  .0553  .0037   .0117  .0102
Cl1  -.05060 .11727 .67683 .93  .0436  .0472  .0448  .0389 -.0175   .0044 -.0124
Br1  -.05060 .11727 .67683 .12  .0436  .0472  .0448  .0389 -.0175   .0044 -.0124
Cl2   .11853 .37741 .12905      .0354  .0385  .0306  .0371 -.0036  -.0012  .0013
Cl3  -.21660    .25 .97949      .0324  .0285  .0317  .0368      0   .0028      0
H11   -.5012    .25  .2475        .14
H12   -.4951    .25  .0567        .13
H13   -.6172  .3112  .1365        .13
H21   -.2801  .4504  .1488        .13
H22   -.1321  .4247  .0305        .15
H23   -.2443  .5082  .9884        .11
H24   -.3191  .4129  .9728        .23
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Pyracmonite
 
Demartin F, Gramaccioli C M, Campostrini I
 
The Canadian Mineralogist 48 (2010) 307-313
Pyracmonite, (NH4)3Fe(SO4)3, a new ammonium iron sulfate
from La Fossa crater, Vulcano, Aeolian Islands, Italy
Locality: La Fossa crater, Vulcano, Aeolian Islands, Italy
_database_code_amcsd 0006332
15.2171 15.2171 8.9323 90 90 120 R3c
atom      x      y      z  occ   Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
N    .07773 .30174 .24189 .867  .0322  .0315  .0324  .0330  .0163 -.0011  .0048
K    .07773 .30174 .24189 .133  .0322  .0315  .0324  .0330  .0163 -.0011  .0048
H1     .031   .307   .264 .867   .059
H2     .113   .342   .169 .867   .047
H3     .066   .244   .207 .867   .077
H4     .112   .332   .323 .867   .091
Fe        0      0 .13800 .893 .01631 .01909 .01909  .0107 .00954      0      0
Al        0      0 .13800 .107 .01631 .01909 .01909  .0107 .00954      0      0
S    .16913 .14291 .38360      .02027 .01528 .02044  .0189 .00431  .0006 -.0021
O1    .1198  .0934  .5215       .0585  .0390  .0803  .0184  .0013  .0043  .0180
O2   .09084 .11849  .2668       .0299  .0384  .0252  .0216  .0126 -.0095 -.0034
O3    .2218  .2516  .4072       .0693  .0732  .0238  .0685 -.0075 -.0324  -.016
O4    .2384  .1128  .3339       .0730  .0513  .1238  .0721  .0650 -.0266 -.0514
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Adranosite
 
Demartin F, Gramaccioli C M, Campostrini I
 
The Canadian Mineralogist 48 (2010) 315-321
Adranosite, (NH4)4NaAl2(SO4)4Cl(OH)2, a new ammonium sulfate chloride
from La Fossa Crater, Vulcano, Aeolian Islands, Italy
Locality: La Fossa Crater, Vulcano, Aeolian Islands, Italy
_database_code_amcsd 0006333
18.118 18.118 11.320 90 90 90 *I4_1/acd
0 -.25 .125
atom      x      y      z  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Na       .5    .25   .125 .0164  .0142  .0142  .0209      0      0      0
Al   .30294 .55294    1/8 .0147  .0156  .0156  .0127 -.0004  .0007  .0007
S    .37582 .39982 .13783 .0167  .0188  .0177  .0136  .0028  .0006 -.0013
Cl       .5    .25   .375 .0309  .0320  .0320  .0286  .0016      0      0
N    .32267 .23391  .3765 .0269  .0361  .0217  .0229  .0079  .0071  .0012
O1   .37981 .48138 .11043 .0185  .0189  .0150  .0216  .0007  .0040  .0031
O2   .31502 .36716 .07200 .0295  .0332  .0276  .0276 -.0022 -.0130 -.0077
O3   .36366 .39176 .26733 .0191  .0224  .0207  .0143  .0039  .0050  .0026
O4   .44711 .36856 .10786 .0280  .0265  .0276  .0300  .0125  .0124  .0054
O5   .26221     .5    .25 .0157  .0143  .0161  .0165      0      0  .0046
H1    .3013  .2837  .3907  .100
H2    .3677  .2362  .3278  .142
H3    .3311  .2075  .4526  .129
H4    .2835  .2044  .3307  .185
H5    .2127     .5    .25  .028
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Coquimbite
Download hom/coquimbite.pdf
Demartin F, Castellano C, Gramaccioli C M, Campostrini I
 
The Canadian Mineralogist 48 (2010) 323-333
Aluminum-for-iron substitution, hydrogen bonding,
and a novel structure-type in coquimbite-like minerals
Locality: La Alcaparrosa, Chile
_database_code_amcsd 0006334
10.9370 10.9370 17.0813 90 90 120 P-31c
atom       x       y       z  occ   Uiso U(1,1) U(2,2) U(3,3) U(1,2)  U(1,3)  U(2,3)
Al1        0       0       0 .761 .01350 .01171 .01171 .01707 .00586       0       0
Fe1        0       0       0 .239 .01350 .01171 .01171 .01707 .00586       0       0
Fe2      1/3     2/3     .25      .01147 .01087 .01087 .01265 .00544       0       0
Fe3      2/3     1/3 .002498      .01703 .01800 .01800 .01508 .00900       0       0
S    .244809 .415175 .123067      .01412 .01402 .01139 .01586 .00554 -.00059 -.00226
O1    .31847  .34563  .09110      .02376 .02056 .01930  .0325 .01076 -.00008 -.00920
O2    .10858  .31136  .15507      .02223 .01748 .01813  .0239 .00352  .00309  .00037
O3    .21976  .49418  .06020      .02146 .02232 .01950 .01972 .00832 -.00414  .00171
O4    .33579  .51624  .18451      .01732 .01841 .01524 .01858 .00861 -.00413 -.00573
OW1   .16668  .07066  .06225      .02367 .02285 .01619  .0306 .00870 -.00893 -.00207
OW2   .44922  .11635  .20994      .03175  .0313  .0268  .0314 .01032  .00318 -.00226
OW3   .57200  .16221  .07123      .02949 .03932 .02753  .0273 .02098  .01408  .01067
H11    .1851   .0205   .0924        .085
H12    .2264   .1545   .0760        .073
H21    .3722   .0384   .2091        .040
H22a   .5068   .1020   .2363  .50   .044
H22b   .4342   .1729   .2362  .50   .034
H31    .5930   .0987   .0751        .060
H32    .5317   .1528   .1142        .041
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Coquimbite
Download hom/coquimbite.pdf
Demartin F, Castellano C, Gramaccioli C M, Campostrini I
 
The Canadian Mineralogist 48 (2010) 323-333
Aluminum-for-iron substitution, hydrogen bonding,
and a novel structure-type in coquimbite-like minerals
Locality: the Dexter No. 7 mine, Calf Mesa, San Rafael Swell, Utah, USA
_database_code_amcsd 0006335
10.9170 10.9170 17.0829 90 90 120 P-31c
atom       x       y       z occ   Uiso U(1,1) U(2,2) U(3,3) U(1,2)  U(1,3)  U(2,3)
Al1        0       0       0     .01316 .01100 .01100  .0175 .00550       0       0
Fe2      1/3     2/3     1/4     .01144 .01042 .01042 .01348 .00521       0       0
Fe3      2/3     1/3 .002517     .01706 .01755 .01755 .01608 .00877       0       0
S    .244517 .414763 .122984     .01394 .01348 .01082 .01620 .00508 -.00077 -.00228
O1    .31821  .34525  .09071     .02331  .0195  .0187  .0328 .01033  -.0003  -.0094
O2    .10820  .31058  .15487     .02144  .0170  .0170  .0235 .00338   .0030  -.0002
O3    .21931  .49404  .06011     .02054  .0219  .0182  .0189 .00809  -.0036   .0013
O4    .33546  .51568  .18451     .01702  .0182  .0150  .0181 .00852  -.0042 -.00564
OW1   .16438  .06998  .06151     .02145  .0201  .0150  .0278 .00764  -.0087  -.0017
OW2   .44923  .11635  .20975      .0308  .0290  .0259  .0317  .0094   .0029  -.0030
OW3   .57172  .16237  .07102     .02932  .0388  .0275  .0275 .02090   .0137   .0098
H11    .1831   .0150   .0869       .063
H12    .2194   .1551   .0745       .050
H21    .3735   .0379   .2063       .040
H22a   .5162   .1104   .2314  .5   .056
H22b   .4202   .1623   .2356  .5   .075
H31    .5968   .1011   .0728       .055
H32    .5318   .1471   .1152       .063
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Coquimbite
Download hom/coquimbite.pdf
Demartin F, Castellano C, Gramaccioli C M, Campostrini I
 
The Canadian Mineralogist 48 (2010) 323-333
Aluminum-for-iron substitution, hydrogen bonding,
and a novel structure-type in coquimbite-like minerals
Note: sample vulc1
Locality: Alum Grotto, Vulcano, Aeolian Islands, Sicily, Italy
_database_code_amcsd 0006336
10.9100 10.9100 17.0625 90 90 120 P-31c
atom       x       y       z occ   Uiso U(1,1) U(2,2) U(3,3) U(1,2)  U(1,3) U(2,3)
Al1        0       0       0     .01276 .01039 .01039  .0175 .00520       0      0
Fe2      1/3     2/3     .25     .01068 .00999 .00999 .01206 .00500       0      0
Fe3      2/3     1/3 .002502     .01723 .01792 .01792 .01584 .00896       0      0
S    .244618 .414813 .122883     .01328 .01313 .01027 .01524 .00495 -.00073  .0241
O1    .31831  .34528  .09069     .02288  .0198  .0181  .0321 .01051  -.0001 -.0099
O2    .10784  .31042  .15472     .02127  .0165  .0175  .0230 .00328   .0032 -.0003
O3    .21952  .49428  .06010     .02057  .0212  .0194  .0183 .00812  -.0044  .0012
O4    .33561  .51557  .18440     .01649  .0180  .0146  .0179 .00896  -.0040 -.0055
OW1   .16433  .06986  .06158     .02104  .0198  .0141  .0280 .00756  -.0084 -.0016
OW2   .44934  .11625  .20976      .0307  .0292  .0263  .0308  .0095   .0034 -.0022
OW3   .57197  .16249  .07096     .02909  .0386  .0275  .0276 .02129   .0136  .0100
H11    .1828   .0143   .0866       .063
H12    .2182   .1551   .0749       .058
H21    .3721   .0379   .2081       .042
H22a   .5170   .1125   .2319  .5   .041
H22b   .4203   .1621   .2362  .5   .090
H31    .5964   .1003   .0732       .052
H32    .5298   .1448   .1145       .067
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Aluminocoquimbite
 
Demartin F, Castellano C, Gramaccioli C M, Campostrini I
 
The Canadian Mineralogist 48 (2010) 323-333
Aluminum-for-iron substitution, hydrogen bonding,
and a novel structure-type in coquimbite-like minerals
Note: sample vulc2
Locality: Alum Grotto, Vulcano, Aeolian Islands, Sicily, Italy
_database_code_amcsd 0006337
10.7065 10.7065 17.3077 90 90 120 P-31c
atom      x      y       z occ   Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Fe1       0      0       0     .01458 .01610 .01610  .0115 .00805      0      0
Fe2       0      0     .25     .01099 .01102 .01102 .01092 .00551      0      0
Al3     2/3    1/3 -.00824     .01503  .0127  .0127  .0196 .00636      0      0
S    .25531 .16880 .124832     .01293 .01124 .01361 .01375 .00607 .00157 .00182
O1   .17500 .06030  .06406      .0191  .0186  .0233  .0161  .0110 -.0024 -.0042
O2   .36509 .14054  .15622      .0203  .0175  .0252  .0217  .0132 -.0015  .0023
O3   .32365 .31459  .09212      .0220  .0188  .0174  .0297  .0091  .0088  .0099
O4   .15347 .15841  .18631     .01637  .0153  .0158  .0161  .0062  .0050  .0010
OW1  .56588 .16639  .05370      .0214  .0192  .0197  .0279  .0118  .0062  .0075
OW2  .45162 .33483  .79333      .0299  .0246  .0331  .0326  .0147  .0019  .0042
OW3  .50030 .26571 -.06857      .0230  .0190  .0182  .0276  .0062 -.0064  .0010
H11    .508   .159   .0888       .049
H12    .610   .121   .0659       .051
H21    .378   .345   .7951       .055
H22a   .511   .403    .765  .5   .039
H22b   .438   .266    .765  .5   .043
H31    .491   .295  -.1129       .051
H32    .435  .1770  -.0672       .070
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Clinometaborite
 
Demartin F, Gramaccioli C M, Campostrini I
 
The Canadian Mineralogist 49 (2011) 1273-1279
Clinometaborite, natural beta-metaboric acid,
from La Fossa Crater, Vulcano, Aeolian Islands, Italy
Locality: La Fossa Crater, Vulcano, Aeolian Islands, Italy
_database_code_amcsd 0018577
7.127 8.842 6.773 90 93.21 90 P2_1/a
atom      x       y      z  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
B1   .23416 -.04313 .83071 .0149  .0221  .0106  .0128  .0004  .0078  .0012
B2   .26124  .21091 .97679 .0142  .0190  .0122  .0117  .0000  .0040  .0000
B3   .40077  .16241 .67183 .0146  .0208  .0116  .0119  .0000  .0046  .0011
O1   .21653  .06075 .99463 .0148  .0242  .0084  .0126 -.0021  .0068 -.0018
O2   .35331  .26191 .81577 .0193  .0322  .0110  .0159 -.0040  .0118 -.0021
O3   .35674  .01313 .68317 .0174  .0279  .0100  .0155 -.0009  .0120  .0006
O4   .28810 -.19372 .87931 .0178  .0299  .0091  .0151  .0025  .0091  .0015
O5   .03355 -.04735 .72342 .0184  .0229  .0157  .0169 -.0010  .0048 -.0037
O6   .49777  .21595 .51815 .0202  .0331  .0115  .0172  .0005  .0131  .0024
H1     .012   -.130   .650 .0540
H2    -.068   -.048   .809 .0680
H3     .534    .136   .443 .0350
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Adranosite-(Fe)
 
Mitolo D, Demartin F, Garavelli A, Campostrini I, Pinto D, Gramaccioli C M,
Acquafredda P, Kolitsch U
 
The Canadian Mineralogist 51 (2013) 57-66
Adranosite-(Fe), (NH4)4NaFe2(SO4)4Cl(OH)2, a new ammonium sulfate chloride
from La Fossa Crater, Vulcano, Aeolian Islands, Italy
Locality: La Fossa Crater, Vulcano, Aeolian Islands, Italy
_database_code_amcsd 0019805
18.261 18.261 11.562 90 90 90 *I4_1/acd
0 -.25 .125
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       .5    .25   .125      .0192  .0145  .0145  .0286      0      0      0
Fe   .30466 .55466   .125 .910 .0139  .0136  .0136  .0145  .0012 -.0016  .0016
Al   .30466 .55466   .125 .090 .0139  .0136  .0136  .0145  .0012 -.0016  .0016
S    .37858 .39769 .13582      .0163  .0183  .0151  .0155  .0028  .0009 -.0005
Cl       .5    .25   .375      .0288  .0290  .0290  .0285  .0006      0      0
N    .32456 .23263 .37804 .973 .0375  .0534  .0281  .0309  .0072  .0050  .0019
K    .32456 .23263 .37804 .027 .0375  .0534  .0281  .0309  .0072  .0050  .0019
O1   .38441 .47904 .11353      .0185  .0164  .0152  .0238  .0012  .0026  .0039
O2   .31686 .36867 .07216      .0344  .0343  .0306  .0382 -.0062 -.0137 -.0099
O3   .36733 .38742 .26199      .0205  .0234  .0206  .0175  .0047  .0040  .0036
O4   .44810 .36554 .10319      .0311  .0310  .0292  .0332  .0174  .0138  .0048
O5   .26100     .5    .25      .0164  .0131  .0167  .0195      0      0  .0075
H1    .3047  .2833  .3920 .973 .1170
H2    .3695  .2355  .3292 .973  .162
H3    .3347  .2077  .4527 .973  .060
H4    .2858  .2040  .3344 .973  .172
H5    .2117     .5    .25       .098
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Marrucciite
 
Orlandi P, Moelo Y, Campostrini I, Meerschaut A
 
European Journal of Mineralogy 19 (2007) 267-279
Lead-antimony sulfosalts from Tuscany (Italy). IX. Marrucciite,
Hg3Pb16Sb18S46,a new sulfosalt from Buca della Vena mine, Apuan Alps:
definition and crystal structure
Locality: Buca della Vena mine, Apuan Alps, Tuscany, Italy
_database_code_amcsd 0007219
48.32 4.1170 24.056 90 118.84 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        0     0     .5     .0242  .0272  .0279  .0170      0  .0103      0
Hg2  -.12993    .5 .56857     .0316  .0452  .0353  .0259      0  .0265      0
Pb1  -.02600    .5 .61767     .0233  .0301  .0222  .0249      0  .0190      0
Pb2   .06881    .5 .65812     .0233  .0324  .0142  .0243      0  .0144      0
Pb3  -.18617     0 .37752     .0250  .0223  .0232  .0287      0  .0118      0
Pb4   .21497    .5 .26235     .0247  .0261  .0192  .0228      0  .0071      0
Pb5   .11942    .5 .85218     .0201   .024  .0168  .0216      0  .0126      0
Pb6   .16059    .5 .05133     .0239  .0372  .0159  .0247      0  .0198      0
Pb7   .11078    .5 .16352     .0225   .023  .0208  .0294      0  .0171      0
Pb8   -.0545    .5  .7468 .63  .021   .020  .0226   .028      0   .016      0
Sb8   -.0458    .5  .7568 .37  .021   .020  .0226   .028      0   .016      0
Pb9    .0342     0  .8194 .41  .028   .019  .0335   .047      0   .028      0
Sb9    .0377     0  .8090 .59  .028   .019  .0335   .047      0   .028      0
Sb1   -.0960 .0818 .46646  .5  .020  .0176   .024  .0175 -.0009  .0086 -.0015
Sb2  -.23449    .5 .44876     .0295   .048  .0184   .042      0   .038      0
Sb3   .17107     0 .35666     .0241   .040  .0167  .0168      0  .0150      0
Sb4   .33929    .5 .24036     .0225  .0250  .0265  .0218      0  .0160      0
Sb5   .20481     0 -.0425     .0322  .0187  .0186   .059      0  .0184      0
Sb6   .24964     0 .15138     .0230  .0199  .0306  .0223      0  .0133      0
Sb7   .07073  .044 -.0138  .5  .029  .0141   .039  .0269   .012  .0048  -.001
Sb10 -.02174  .038  .9141  .5  .036   .032   .033   .026   .003  .0009   .011
S1     .0190     0  .6107      .015
S2    -.0555    .5  .4805      .014
S3    -.0771     0  .5801      .022
S4    -.1931     0  .4880      .024
S5     .2167  .555  .3926  .5  .022
S6    -.1278  .551  .6701  .5  .025
S7    -.1386    .5  .4629      .019
S8    -.2349    .5  .3455      .020
S9     .1639     0  .2487      .016
S10    .3560  .049  .3201  .5  .027
S11    .1832  .554  .8635  .5  .033
S12    .2255  .564  .0483  .5  .022
S13    .2707    .5  .2305      .023
S14    .3913    .5  .2426      .018
S15    .1532     0 -.0448      .020
S16    .1996     0  .1554      .016
S17    .0479    .5  .7570      .023
S18    .0010    .5  .8633      .023
S19   -.0472  .542 -.0456  .5  .020
S20    .0910  .534 -.0556  .5  .021
S21   -.0203     0  .7225      .023
S22   -.0711     0  .8130      .016
S23    .1198     0  .0861      .017
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Sarrabusite
 
Gemmi M, Campostrini I, Demartin F, Gorelik T E, Gamaccioli C M
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=68&spage=15
Acta Crystallographica B68 (2012) 15-23
Structure of the new mineral sarrabusite, Pb5CuCl4(SeO3)4,
solved by manual electron-diffraction tomography
Note: Manual data, this is the prefered structure
Locality: Baccu Locci mine, near Villaputzu, Sardinia, Italy
_database_code_amcsd 0018632
24.917 5.506 14.242 90 101.77 90 C2/c
atom      x     y     z  Uiso
Pb1   .1059 .0639 .1742  .031
Pb2   .2686 .0123 .3721  .031
Pb3       0  .562   .25  .031
Se1   .1626 1.508 .3293  .019
Se2   .0461  .003 .4147  .019
Cu1       0    .5    .5  .020
Cl1   .2971  .490  .456  .037
Cl2   .1203  .507  .534  .037
O1    .1810  .730  .270  .019
O2    .0641  .932  .309  .019
O3    .1886  .247  .285  .019
O4    .0067  .263  .382  .019
O5   -.0173  .807  .404  .019
O6    .1033  .430  .254  .019
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Sarrabusite
 
Gemmi M, Campostrini I, Demartin F, Gorelik T E, Gamaccioli C M
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=68&spage=15
Acta Crystallographica B68 (2012) 15-23
Structure of the new mineral sarrabusite, Pb5CuCl4(SeO3)4,
solved by manual electron-diffraction tomography
Note: Automated data
Locality: Baccu Locci mine, near Villaputzu, Sardinia, Italy
_database_code_amcsd 0018633
24.917 5.506 14.242 90 101.77 90 C2/c
atom      x     y     z  Uiso
Pb1   .1079 .0627 .1731 .0333
Pb2   .2680 .0103 .3680 .0333
Pb3       0 .5542   .25 .0333
Se1   .1649 .4985 .3261  .027
Se2   .0445 .0084 .4093  .027
Cu        0    .5    .5  .036
Cl1   .2931  .495 .4599  .035
Cl2   .1017  .499 .5323  .035
O1    .1859  .748 .2764  .026
O2    .0681  .888 .3061  .026
O3    .1944  .252 .2709  .026
O4    .0022  .253 .3816  .026
O5   -.0129  .788 .4094  .026
O6    .0995  .404 .2716  .026
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Cossaite
 
Demartin F, Gramaccioli C M, Campostrini I, Castellano C
 
Mineralogical Magazine 75 (2011) 2847-2855
Cossaite, (Mg0.5,_)Al6(SO4)6(HSO4)F6*36H2O, a new mineral
from La Fossa crater, Vulcano, Aeolian Islands, Italy
Locality: La Fossa crater, Vulcano, Aeolian Islands, Italy
Note: H atom in HSO4 group was not located
_database_code_amcsd 0018525
22.010 22.010 9.238 90 90 120 R-3
atom      x      y      z occ   Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Mg      1/3    2/3    7/6  .5  .0840  .0455  .0455   .161  .0228      0      0
Al   .37501 .87307 .35346     .01662  .0141  .0188  .0161  .0075 -.0001  .0005
S1   .21195 .95870 .16739     .01769  .0189  .0191  .0168  .0108 -.0022 -.0014
S2      1/3    2/3 .69198  .5  .0211  .0195  .0195  .0241  .0098      0      0
O1   .14732 .95419 .22260      .0351  .0236  .0408  .0463  .0202 -.0024 -.0154
O2   .24997 .02178 .07647      .0380  .0471  .0205  .0273  .0026 -.0099  .0042
O3   .19434 .89589 .08023      .0250  .0372  .0232  .0190  .0185  .0017 -.0032
O4   .25714 .96364 .28903      .0287  .0318  .0483  .0164  .0279 -.0056 -.0053
O5      1/3    2/3  .8511  .5  .0560  .0667  .0667  .0344  .0334      0      0
O6   .30686 .71231  .6401  .5  .0349  .0359  .0337  .0431  .0233  .0044  .0063
F    .32848 .79736 .24892      .0319  .0272  .0239  .0378  .0078  .0023 -.0094
Ow1  .45582 .90169 .23929      .0263  .0207  .0250  .0290  .0082  .0092 -.0016
Ow2  .34841 .92446 .23172      .0272  .0369  .0428  .0160  .0304  .0021  .0043
Ow3  .42288 .95598 .46392      .0241  .0280  .0224  .0163  .0085 -.0021 -.0017
Ow4  .40817 .82981 .48384      .0368  .0262  .0502  .0410  .0242  .0059  .0229
Ow5  .29490 .84390 .47033      .0258  .0178  .0326  .0215  .0086  .0052  .0006
Wat6 .34139 .74857  .0290      .0382  .0480  .0469  .0315  .0326 -.0096 -.0120
H1a   .4606  .8681  .1844       .067
H1b   .4992  .9437   .241       .063
H2a   .3579  .9368  .1326       .106
H2b   .3107  .9327   .247       .095
H3a   .4316  .9653  .5639       .060
H3b   .4218  .9988   .454       .073
H4a   .3722  .7927  .5360       .110
H4b   .4516  .8311   .474       .121
H5a   .2577  .7973   .461       .054
H5b   .2925  .8632  .5596       .057
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Dansite-(Mn)
 
Demartin F, Campostrini I, Castellano C, Gramaccioli C M, Russo M
 
Mineralogical Magazine 76 (2012) 2773-2783
D'ansite-(Mn), Na21Mn2+(SO4)10Cl3 and d'ansite-(Fe), Na21Fe2+(SO4)10Cl3,
two new minerals from volcanic fumaroles
Locality: Vesuvius, Naples, Italy
_database_code_amcsd 0019747
15.9291 15.9291 15.9291 90 90 90 I-43d
atom      x      y      z  occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Na1  .88363 .37538 .84843      .0235  .0216  .0241  .0247  .0049  .0034  .0044
Na2       0    .25  .0442       .080   .176   .048  .0154  -.045      0      0
Na3  .07623 .57623 .92377 .873 .0356  .0356  .0356   .356  .0039 -.0039 -.0039
Mn3  .07623 .57623 .92377 .127 .0356  .0356  .0356   .356  .0039 -.0039 -.0039
S1   .01843     .5    .75      .0137  .0114  .0172  .0125      0      0  .0007
S2   .96021 .46021 .03979      .0150  .0150  .0150  .0150  .0011 -.0011 -.0011
O1   -.0337  .4269  .7295      .0270  .0238  .0248  .0326 -.0077 -.0035 -.0044
O2    .0727  .5211  .6784      .0322  .0340  .0305  .0320  .0011  .0210  .0066
O3    .9134  .4767 -.0372      .0479   .068   .045   .031   .023  -.025 -.0081
O4    .9078  .4078  .0923       .085   .085   .085   .085  -.030   .030   .030
Cl        0    .25   .875      .0184  .0191  .0191  .0170      0      0      0
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Dansite-(Fe)
 
Demartin F, Campostrini I, Castellano C, Gramaccioli C M, Russo M
 
Mineralogical Magazine 76 (2012) 2773-2783
D'ansite-(Mn), Na21Mn2+(SO4)10Cl3 and d'ansite-(Fe), Na21Fe2+(SO4)10Cl3,
two new minerals from volcanic fumaroles
Locality: La Fossa crater, Vulcano, Aeolian Islands, Italy
_database_code_amcsd 0019748
15.882 15.882 15.882 90 90 90 I-43d
atom       x      y       z  occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Na1   .88098 .37440  .84834      .0243  .0236  .0239  .0252  .0014  .0017  .0024
Na2        0    .25  .04293      .0689   .152  .0371  .0180 -.0320      0      0
Na3   .08027 .58027  .91973 .870 .0454  .0454  .0454  .0454  .0027 -.0027 -.0027
Fe3   .08027 .58027  .91973 .130 .0454  .0454  .0454  .0454  .0027 -.0027 -.0027
S1    .01852     .5     .75      .0171  .0102  .0240  .0172      0      0  .0034
S2    .96103 .46103  .03897      .0164  .0164  .0164  .0164  .0018 -.0018 -.0018
O1   -.03390 .42636  .73325      .0274  .0194  .0323  .0305 -.0101  .0027  .0005
O2    .07233 .51656  .67692      .0372  .0355  .0312  .0449  .0076  .0243  .0132
O3    .91376 .47536 -.03641      .0596  .0887  .0642  .0259  .0365 -.0257 -.0094
O4    .90884 .40884  .09116      .1002  .1002  .1002  .1002 -.0308  .0308  .0308
Cl         0    .25    .875      .0208  .0244  .0244  .0136      0      0      0
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Aluminopyracmonite
 
Demartin F, Castellano C, Campostrini I
 
Mineralogical Magazine 77 (2013) 443-451
Aluminopyracmonite, (NH4)3Al(SO4)3, a new ammonium aluminium sulfate
from La Fossa crater, Vulcano, Aeolian Islands, Italy
Note: z coordinate of Al2 has been changed from 1/6
Locality: La Fossa crater, Vulcano, Aeolian Islands, Italy
_database_code_amcsd 0019924
15.0324 15.0324 8.8776 90 90 120 R-3
atom      x      y      z  occ   Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
N1   .26073 .09755 .05993       .0259  .0249  .0230  .0297  .0119  .0049 -.0029
H1    .2330  .0949  .0210        .083
H2    .3052  .0405  .0609        .057
H3    .2812  .1340  .0593        .080
H4    .2247  .1034  .1300        .065
Al1     2/3    1/3    1/3      .01316 .01596 .01596  .0076 .00798      0      0
Al2     2/3    1/3    5/6      .01003 .01000 .01000  .0101 .00500      0      0
S1   .52228 .17358 .08077      .01605 .01542 .01439 .01444 .00453 .00068 .00109
O1   .54994 .24610 .04809      .01907  .0173  .0198  .0205 .00907  .0034  .0064
O2a  .41032 .11292 .08097 .673  .0263  .0186  .0213  .0297  .0029  .0048  .0025
O2b  .41553 .13008 .12312 .327  .0351  .0155  .0419  .0354  .0048  .0095  .0153
O3a  .55285 .24001 .21654 .673  .0229  .0250  .0289  .0146  .0134 -.0046 -.0054
O3b  .59127 .21516 .21467 .327  .0250  .0313  .0211  .0146  .0069 -.0048 -.0033
O4a  .57239 .11529 .07087 .673  .0286  .0320  .0224  .0377  .0182  .0050  .0056
O4b  .54211 .08949 .02667 .327  .0301  .0465  .0180  .0284  .0181 -.0088 -.0030
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Therasiaite
 
Demartin F, Castellano C, Campostrini I
 
Mineralogical Magazine 78 (2014) 203-213
Therasiaite, (NH4)3KNa2Fe2+Fe3+(SO4)3Cl5, a new sulfate chloride
from La Fossa Crater, Vulcano, Aeolian islands, Italy
Locality: La Fossa Crater, Vulcano, Aeolian islands, Italy
_database_code_amcsd 0020043
18.284 12.073 9.535 90 108.10 90 Cc
atom      x      y       z   occ   Uiso U(1,1) U(2,2) U(3,3)  U(1,2) U(1,3)  U(2,3)
Fe1  .61710 .24642  .30691       .01405 .01113  .0145  .0172 -.00246 .00536 -.00070
Fe2  .78831 .16054  .13411       .01475  .0169  .0128  .0152 -.00146 .00578 -.00209
S1   .47523 .07746  .31396       .01514  .0108  .0204  .0138  -.0039  .0031   .0018
S2   .76294 .40549  .28569       .01261  .0113  .0093  .0177  -.0016  .0051  -.0001
S3   .77323 .09989  .46880       .01358  .0183  .0104  .0124   .0026  .0054   .0017
O1   .53705  .1328   .2652        .0272  .0256  .0334  .0284  -.0194  .0170  -.0120
O2    .4079  .1480   .2522   .70  .0559   .020   .065   .080    .021   .011    .038
O3    .4931  .0760   .4714   .70  .0320   .035   .054  .0091   -.022  .0088  -.0037
O4    .4662 -.0346   .2548   .70  .0456   .072   .029   .049   -.033   .038   -.025
O2'   .4038  .0790   .1987   .30   .033
O3'   .4691  .1313    .441   .30   .070
O4'   .5021 -.0326    .328   .30   .084
O5   .70649  .3489   .3467        .0186  .0180  .0189  .0206  -.0069  .0087  -.0006
O6   .80393  .3215   .2249        .0227  .0198  .0217  .0304  -.0018  .0135  -.0104
O7   .81787  .4604   .4110        .0228  .0183  .0187  .0311  -.0070  .0070  -.0123
O8   .72171  .4824   .1702        .0301  .0285  .0226  .0351   .0024  .0041   .0181
O9   .68928  .1269   .4232        .0228  .0182  .0240  .0270   .0033  .0082   .0079
O10  .79577  .0777   .3360        .0306  .0388  .0400  .0173   .0173  .0150   .0066
O11  .81836  .1890   .5545        .0306  .0288  .0229  .0326   .0008 -.0014  -.0085
O12   .7838 -.0009   .5568        .0361  .0471  .0196  .0390   .0059  .0098   .0175
Cl1  .93292 .16126  .19391       .02456  .0175  .0283  .0282   .0027  .0075  -.0037
Cl2  .64268 .17794  .08040       .01930  .0165  .0249  .0174  -.0007  .0066  -.0002
Cl3  .59703 .31622  .51999       .02348  .0263  .0255  .0214  -.0031  .0114  -.0068
Cl4  .76610 .24305 -.11708       .02282  .0233  .0274  .0186  -.0007  .0076   .0035
Cl5  .53540 .38191  .15459       .02331  .0194  .0218  .0264   .0037  .0038   .0008
Na1  .77669 .35490  .62489        .0242  .0283  .0212  .0243   .0031  .0102  -.0028
Na2  .88338 .38624  .05359        .0285  .0268  .0262  .0310  -.0038  .0070   .0064
N1   .62181  .4170  -.1233  .738  .0544  .0537  .0499   .060   .0035  .0177   .0058
H1   .62181  .4170  -.1233 2.952  .0544  .0537  .0499   .060   .0035  .0177   .0058
K1   .62181  .4170  -.1233  .262  .0544  .0537  .0499   .060   .0035  .0177   .0058
N2   .62577  .0736   .7045  .839  .0370  .0381  .0240  .0415  -.0065  .0016   .0053
H2   .62577  .0736   .7045 3.356  .0370  .0381  .0240  .0415  -.0065  .0016   .0053
K2   .62577  .0736   .7045  .161  .0370  .0381  .0240  .0415  -.0065  .0016   .0053
N3   .91055 -.0961   .3440  .677  .0451  .0410  .0486  .0492   .0047  .0192   .0064
H3   .91055 -.0961   .3440 2.708  .0451  .0410  .0486  .0492   .0047  .0192   .0064
K3   .91055 -.0961   .3440  .323  .0451  .0410  .0486  .0492   .0047  .0192   .0064
K4   .94411 .31507  .46801        .0336  .0306  .0398  .0268   .0090  .0035  -.0015
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Total number of retrieved datasets: 28
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