American Mineralogist Crystal Structure Database

11 matching records for this search.

Ambrinoite
 
Biagioni C, Bonaccorsi E, Pasero M, Moelo Y, Ciriotti M E, Bersani D,
Callegari A M, Boiocchi M
 
American Mineralogist 96 (2011) 878-887
Ambrinoite, (K,NH4)2(As,Sb)8S13*H2O, a new mineral from Upper Susa Valley,
Piedmont, Italy: The first natural (K,NH4)-hydrated sulfosalt
Locality: Upper Susa Valley, Piedmont, Italy
_database_code_amcsd 0019096
9.704 11.579 12.102 112.82 103.44 90.49 P-1
atom      x      y      z occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
K1    .6680  .3331  .6791 .83  .065   .048   .058   .095   .003   .007   .044
N1    .6680  .3331  .6791 .17  .065   .048   .058   .095   .003   .007   .044
H1    .6680  .3331  .6791 .68  .065   .048   .058   .095   .003   .007   .044
K2    .9242  .7592  .4774 .78  .073   .088   .061   .075   .007   .044   .020
N2    .9242  .7592  .4774 .22  .073   .088   .061   .075   .007   .044   .020
H2    .9242  .7592  .4774 .88  .073   .088   .061   .075   .007   .044   .020
SbM1 .39230 .64339 .83575 .54 .0344  .0361  .0278  .0425  .0030  .0154  .0142
AsM1 .39230 .64339 .83575 .46 .0344  .0361  .0278  .0425  .0030  .0154  .0142
SbM2 .01055 .14677 .83795 .57 .0369  .0341  .0298  .0500  .0023  .0109  .0192
AsM2 .01055 .14677 .83795 .43 .0369  .0341  .0298  .0500  .0023  .0109  .0192
AsM3 .66142 .98014 .71276     .0309  .0374  .0280  .0294  .0025  .0071  .0143
AsM4 .66440 .70477 .70910     .0302  .0369  .0269  .0280  .0012  .0062  .0135
AsM5 .24245 .92642 .96400 .92 .0354  .0396  .0292  .0350  .0018  .0088  .0108
SbM5 .24245 .92642 .96400 .08 .0354  .0396  .0292  .0350  .0018  .0088  .0108
AsM6 .00896 .64686 .82178 .80 .0358  .0327  .0285  .0451  .0024  .0087  .0143
SbM6 .00896 .64686 .82178 .20 .0358  .0327  .0285  .0451  .0024  .0087  .0143
AsM7 .38933 .14671 .82502 .75 .0362  .0357  .0302  .0476  .0060  .0153  .0180
SbM7 .38933 .14671 .82502 .25 .0362  .0357  .0302  .0476  .0060  .0153  .0180
AsM8 .23678 .42874 .94031     .0365  .0409  .0282  .0377  .0014  .0091  .0110
S1    .6161  .7814  .5576     .0323   .044   .027   .027   .001   .005   .014
S2    .3786  .3401  .8069     .0404   .047   .033   .054   .006   .023   .024
S3    .8204  .0599  .6437     .0321   .031   .035   .031  -.002   .006   .015
S4    .3974  .8510  .8382     .0371   .044   .031   .045   .004   .017   .021
S5    .4723  .5620  .6432     .0314   .037   .029   .028  -.002   .010   .010
S6    .0114  .3439  .8169     .0367   .036   .032   .045   .004   .005   .021
S7    .8220  .5719  .6362     .0323   .033   .029   .031   .004   .005   .010
S8    .4694  .0630  .6408     .0348   .038   .041   .030   .011   .010   .018
S9    .1611  .0573  .6991     .0368   .035   .030   .040   .002   .012   .010
S10   .1587  .5625  .6931     .0345   .033   .032   .035   .001   .009   .008
S11   .0192  .8485  .8258     .0392   .039   .030   .049   .003   .001   .021
S12   .2637  .2992  .0350     .0398   .040   .053   .031   .005   .007   .023
S13   .2578  .7763  .0381     .0348   .042   .033   .030   .004   .009   .014
Wat   .2172  .7496  .5286      .066   .087   .046   .050   .008  -.004   .014
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Coralloite
 
Callegari A M, Boiocchi M, Ciriotti M E, Balestra C
 
American Mineralogist 97 (2012) 727-734
Coralloite, Mn2+Mn3+2(AsO4)2(OH)2*4H2O, a new mixed valence Mn hydrate arsenate:
crystal structure and relationships with bermanite and whitmoreite mineral groups
Locality: Monte Nero mine, Rocchetta Vara, La Spezia, Liguria, Italy
_database_code_amcsd 0018861
5.5828 9.7660 5.5455 94.467 111.348 93.850 P1
atom        x     y      z  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Mn3+M1      0     0      0 .0113  .0084  .0146  .0117  .0034  .0044  .0010
Mn3+M2  .5006 .0047  .4997 .0107  .0081  .0143  .0107  .0037  .0042  .0009
Mn2+M3  .1697 .5046  .3445 .0167  .0175  .0165  .0193  .0033  .0104  .0022
As1     .0643 .1933  .5121 .0109  .0100  .0126  .0120  .0029  .0061  .0014
As2    -.0661 .8037  .4850 .0121  .0100  .0138  .0141  .0029  .0064  .0012
O1     -.0734 .1508  .1866 .0114  .0133  .0119  .0084  .0078  .0026 -.0002
O2      .0608 .8431  .8124 .0160  .0128  .0242  .0141  .0066  .0077  .0031
O3     -.1079 .1081  .6569 .0166  .0138  .0223  .0147 -.0039  .0080  .0004
O4      .1118 .8912  .3496 .0146  .0100  .0172  .0190  .0004  .0080  .0039
O5      .3748 .1571  .6328 .0164  .0153  .0156  .0176  .0047  .0054 -.0012
O6      .6282 .8512  .3668 .0125  .0053  .0205  .0101  .0050  .0012 -.0031
O7      .0459 .3631  .5591 .0165  .0261  .0083  .0222  .0025  .0160  .0082
O8     -.0853 .6376  .4180 .0208  .0083  .0225  .0301  .0040  .0061 -.0030
OH1     .3683 .0667  .1556 .0123  .0078  .0207  .0099  .0015  .0058 -.0015
OH2     .6237 .9414 -.1536 .0130  .0077  .0188  .0136  .0032  .0042  .0058
Wat1    .4615 .3745  .2708 .0348  .0307  .0383  .0492  .0150  .0259  .0208
Wat2    .2816 .6416  .1007 .0187  .0170  .0204  .0179  .0029  .0053  .0028
Wat3   -.1225 .4105 -.0471 .0241  .0220  .0241  .0281  .0021  .0131 -.0048
Wat4    .4961 .6011  .7240 .0349  .0298  .0409  .0313 -.0036  .0103 -.0012
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Aschamalmite
Download hom/aschamalmite.pdf
Callegari A M, Boiocchi M
 
Mineralogical Magazine 73 (2009) 83-94
Aschamalmite (Pb6Bi2S9): crystal structure and ordering scheme for Pb and Bi atoms
Locality: Susa Valley, Piedmont, Italy
_database_code_amcsd 0014588
13.719 4.132 31.419 90 90.94 90 C2/m
atom       x y     z occ  Uiso
PbMe1  .4215 0 .2462     .0364
PbMe2A    .5 0     0 .76 .0149
BiMe2A    .5 0     0 .24 .0149
PbMe2B    .5 0    .5 .86 .0145
BiMe2B    .5 0    .5 .14 .0145
PbMe3A .2298 0 .0580     .0163
PbMe3B .2279 0 .4419 .99 .0152
BiMe3B .2279 0 .4419 .01 .0152
BiMe4A .6883 0 .1749 .61 .0175
PbMe4A .6883 0 .1749 .39 .0175
BiMe4B .6773 0 .3253 .84 .0172
PbMe4B .6773 0 .3253 .16 .0172
PbMe5A .9601 0 .1188 .62 .0163
BiMe5A .9601 0 .1188 .38 .0163
BiMe5B .9523 0 .3803 .73 .0140
PbMe5B .9523 0 .3803 .27 .0140
S1A    .0552 0 .1948     .0205
S1B    .0381 0 .3047     .0249
S2A    .5891 0 .0858     .0198
S2B    .5812 0 .4132     .0199
S3     .7814 0 .2491     .0195
S4A    .3291 0 .1474     .0213
S4B    .3240 0 .3564     .0232
S5A    .8614 0 .0265     .0192
S5B    .8600 0 .4718     .0161
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Capranicaite
 
Callegari A M, Boiocchi M, Bellatreccia F, Caprilli E, Medenbach O, Cavallo A
 
Mineralogical Magazine 75 (2011) 33-43
Capranicaite, (K,_)(Ca,Na)Al4B4Si2O18: a new inosilicate from Capranica,
Italy, with a peculiar topology of the periodic single chain [Si2O6]
Locality: Vico volcanic complex, Capranica, Viterbo Province, Latium, Italy
_database_code_amcsd 0018373
4.8507 16.6156 20.5445 90 90.245 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)
Si1   .8024 .8570 .2496     .0160  .0155  .0198  .0126 -.0027  .0007  .0000
Si2   .1980 .4693 .2506     .0151  .0135  .0187  .0129 -.0015  .0002  .0000
Al1   .2517 .5357 .3947     .0099  .0083  .0100  .0115 -.0001  .0002 -.0002
Al2   .2483 .5357 .1058     .0099  .0080  .0101  .0116 -.0002  .0001  .0005
Al3   .7544 .7945 .1044     .0107  .0116  .0083  .0122 -.0003  .0005 -.0003
Al4   .7456 .7951 .3954     .0106  .0115  .0083  .0118 -.0007  .0010  .0003
B1    .2542 .7072 .0809     .0155  .0067  .0057  .0343 -.0003  .0002 -.0011
B2    .2457 .7074 .4186     .0166  .0051  .0040  .0408  .0012  .0003  .0000
B3    .7489 .4582 .4295     .0105  .0107  .0111  .0097  .0006  .0002 -.0008
B4   -.2496 .4584 .0703     .0116  .0102  .0103  .0142 -.0001  .0003  .0004
CaM1  .7377 .6289 .0037 .60 .0138  .0140  .0131  .0144  .0000  .0002 -.0001
NaM1  .7377 .6289 .0037 .40 .0138  .0140  .0131  .0144  .0000  .0002 -.0001
CaM2  .2395 .3706 .5038 .61 .0134  .0134  .0125  .0142  .0001 -.0001 -.0001
NaM2  .2395 .3706 .5038 .39 .0134  .0134  .0125  .0142  .0001 -.0001 -.0001
KA    .7125 .6337 .2500 .72 .0600  .0587  .0243  .0970 -.0056  .0076  .0015
CsA   .7125 .6337 .2500 .07 .0600  .0587  .0243  .0970 -.0056  .0076  .0015
O1    .6193 .9387 .2484     .0304  .0136  .0288  .0487  .0007  .0011  .0016
O2    .1196 .8883 .2496     .0309  .0148  .0249  .0529 -.0020  .0012  .0007
O3    .7474 .8015 .1873     .0285  .0396  .0323  .0135 -.0067 -.0005 -.0032
O4    .7459 .8033 .3126     .0290  .0361  .0359  .0149 -.0067  .0005  .0038
O5    .2490 .5250 .1883     .0284  .0396  .0322  .0135 -.0049 -.0002  .0051
O6    .2570 .5256 .3121     .0289  .0392  .0343  .0132 -.0082  .0012 -.0031
O7    .5277 .7173 .4212     .0166  .0099  .0113  .0286 -.0008 -.0001  .0040
O8    .4265 .7727 .0724     .0164  .0128  .0118  .0245 -.0031 -.0022  .0045
O9    .9724 .7173 .0774     .0169  .0104  .0105  .0298  .0008 -.0006 -.0034
O10   .0730 .7729 .4273     .0172  .0130  .0127  .0257  .0032 -.0015 -.0046
O11   .0314 .4656 .4312     .0144  .0095  .0113  .0223  .0000  .0006  .0033
O12  -.0836 .5250 .0727     .0154  .0107  .0100  .0256 -.0017 -.0035  .0025
O13   .4690 .4660 .0690     .0155  .0090  .0123  .0252  .0005  .0000 -.0039
O14   .5844 .5251 .4275     .0160  .0102  .0119  .0259  .0015 -.0026 -.0018
O15   .6346 .8830 .4346     .0169  .0137  .0094  .0276 -.0016  .0059 -.0023
O16   .8666 .8830 .0662     .0162  .0144  .0083  .0259  .0018  .0051  .0015
O17   .1332 .6311 .4179     .0172  .0115  .0093  .0310 -.0013  .0025 -.0010
O18   .3680 .6313 .0836     .0180  .0115  .0111  .0313  .0004  .0023  .0017
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Alunite
Download hom/alunite.pdf
Zema M, Callegari A M, Tarantino S C, Gasparini E, Ghigna P
 
Mineralogical Magazine 76 (2012) 613-623
Thermal expansion of alunite up to dehydroxylation
and collapse of the crystal structure
Note: T = 25 C
Locality: Hungary
_database_code_amcsd 0018984
6.9749 6.9749 17.315 90 90 120 R-3m
atom      x       y       z  occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
KA        0       0       0 .876 .013   .014      0   .010   .007      0      0
NaA       0       0       0 .071 .013   .014      0   .010   .007      0      0
HA        0       0       0 .159 .013   .014      0   .010   .007      0      0
OA        0       0       0 .053 .013   .014      0   .010   .007      0      0
Al        0      .5      .5 .988 .006   .004   .005   .009      0      0   .002
S         0       0  .30282      .006   .006      0   .007   .003      0      0
O1        0       0  .38666      .011   .013      0   .007   .007      0      0
O2   .21823 -.21823 -.05997      .009   .011   .011   .010   .008      0      0
O3   .12604 -.12604  .14024      .008   .006   .006   .012   .003   .001   .001
H     .1879  -.1879   .1165      .030
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Alunite
Download hom/alunite.pdf
Zema M, Callegari A M, Tarantino S C, Gasparini E, Ghigna P
 
Mineralogical Magazine 76 (2012) 613-623
Thermal expansion of alunite up to dehydroxylation
and collapse of the crystal structure
Note: T = 100 C
Locality: Hungary
_database_code_amcsd 0018985
6.9771 6.9771 17.360 90 90 120 R-3m
atom      x       y       z  occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
KA        0       0       0 .876 .016   .017      0   .012   .009      0      0
NaA       0       0       0 .071 .016   .017      0   .012   .009      0      0
HA        0       0       0 .147 .016   .017      0   .012   .009      0      0
OA        0       0       0 .049 .016   .017      0   .012   .009      0      0
Al        0      .5      .5 .975 .007   .004   .006   .010   .002      0      0
S         0       0  .30257      .008   .008      0   .009   .004      0      0
O1        0       0  .38589      .013   .016      0   .009   .008      0      0
O2   .21840 -.21840 -.06021      .011   .013   .013   .012   .010      0      0
O3   .12598 -.12598  .14029      .010   .007   .007   .015   .003   .001   .001
H     .1830  -.1830   .1090      .034
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Alunite
Download hom/alunite.pdf
Zema M, Callegari A M, Tarantino S C, Gasparini E, Ghigna P
 
Mineralogical Magazine 76 (2012) 613-623
Thermal expansion of alunite up to dehydroxylation
and collapse of the crystal structure
Note: T = 200 C
Locality: Hungary
_database_code_amcsd 0018986
6.9806 6.9806 17.425 90 90 120 R-3m
atom      x       y       z  occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
KA        0       0       0 .876 .020   .023      0   .015   .011      0      0
NaA       0       0       0 .071 .020   .023      0   .015   .011      0      0
HA        0       0       0 .117 .020   .023      0   .015   .011      0      0
OA        0       0       0 .039 .020   .023      0   .015   .011      0      0
Al        0      .5      .5 .972 .008   .006   .007   .012   .003      0      0
S         0       0  .30215      .010   .010      0   .005   .009      0      0
O1        0       0  .38517      .017   .021      0   .009   .010      0      0
O2   .21847 -.21847 -.06042      .014   .017   .017   .014   .012   .001   .001
O3   .12604 -.12604  .14035      .012   .009   .009   .017   .004   .002   .002
H     .1835  -.1835   .1108      .037
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Alunite
Download hom/alunite.pdf
Zema M, Callegari A M, Tarantino S C, Gasparini E, Ghigna P
 
Mineralogical Magazine 76 (2012) 613-623
Thermal expansion of alunite up to dehydroxylation
and collapse of the crystal structure
Note: T = 300 C
Locality: Hungary
_database_code_amcsd 0018987
6.9859 6.9859 17.481 90 90 120 R-3m
atom      x       y       z  occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
KA        0       0       0 .876 .023   .027      0   .017   .013      0      0
NaA       0       0       0 .071 .023   .027      0   .017   .013      0      0
Al        0      .5      .5 .963 .010   .007   .009   .014   .003      0      0
S         0       0  .30179      .012   .012      0   .011   .006      0      0
O1        0       0  .38430      .021   .025      0   .011   .013      0      0
O2   .21854 -.21854 -.06078      .017   .020   .020   .016   .014      0      0
O3   .12611 -.12611  .14039      .015   .011   .011   .020   .005   .002   .002
H     .1840  -.1840   .1110      .041
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Alunite
Download hom/alunite.pdf
Zema M, Callegari A M, Tarantino S C, Gasparini E, Ghigna P
 
Mineralogical Magazine 76 (2012) 613-623
Thermal expansion of alunite up to dehydroxylation
and collapse of the crystal structure
Note: T = 400 C
Locality: Hungary
_database_code_amcsd 0018988
6.9897 6.9897 17.574 90 90 120 R-3m
atom      x       y       z  occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
KA        0       0       0 .876 .028   .032      0   .020   .016      0      0
NaA       0       0       0 .071 .028   .032      0   .020   .016      0      0
Al        0      .5      .5 .964 .012   .008   .010   .017   .004      0      0
S         0       0  .30142      .014   .014      0   .015   .007      0      0
O1        0       0  .38341      .024   .029      0   .014   .015      0      0
O2   .21866 -.21866 -.06115      .021   .024   .024   .020   .017   .001   .001
O3   .12616 -.12616  .14040      .017   .013   .013   .024   .005   .002   .002
H     .1838  -.1838   .1111      .048
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Alunite
Download hom/alunite.pdf
Zema M, Callegari A M, Tarantino S C, Gasparini E, Ghigna P
 
Mineralogical Magazine 76 (2012) 613-623
Thermal expansion of alunite up to dehydroxylation
and collapse of the crystal structure
Note: T = 450 C
Locality: Hungary
_database_code_amcsd 0018989
6.9916 6.9916 17.621 90 90 120 R-3m
atom      x       y       z  occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
KA        0       0       0 .876 .031   .035      0   .023   .017      0      0
NaA       0       0       0 .071 .031   .035      0   .023   .017      0      0
Al        0      .5      .5 .972 .013   .009   .011   .019   .005      0      0
S         0       0  .30118      .015   .016      0   .016   .007      0      0
O1        0       0  .38311      .026   .030      0   .017   .015      0      0
O2   .21872 -.21872 -.06135      .022   .025   .025   .023   .018   .001   .001
O3   .12624 -.12624  .14042      .018   .013   .013   .026   .005   .002   .002
H     .1837  -.1837   .1104      .061
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Alunite
Download hom/alunite.pdf
Zema M, Callegari A M, Tarantino S C, Gasparini E, Ghigna P
 
Mineralogical Magazine 76 (2012) 613-623
Thermal expansion of alunite up to dehydroxylation
and collapse of the crystal structure
Note: T = 500 C
Locality: Hungary
_database_code_amcsd 0018990
6.9935 6.9935 17.640 90 90 120 R-3m
atom      x       y       z  occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
KA        0       0       0 .876 .033   .029      0   .042   .014      0      0
NaA       0       0       0 .071 .033   .029      0   .042   .014      0      0
Al        0      .5      .5 .932 .026   .011   .013   .054   .005   .001   .001
S         0       0   .3010      .030   .019      0   .051   .009      0      0
O1        0       0   .3827      .041   .035      0   .053   .018      0      0
O2    .2186  -.2186  -.0619      .035   .032   .032   .048   .021   .001   .001
O3    .1266  -.1266   .1403      .034   .016   .016   .067   .007   .001   .001
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Multiple datasets can be downloaded as individual files inside a ZIP archive by selecting the datasets and then clicking

Total number of retrieved datasets: 11
View in amc, download in amc

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