American Mineralogist Crystal Structure Database

28 matching records for this search.

Vicanite-(Ce)
 
Ballirano P, Callegari A, Caucia F, Maras A, Mazzi F, Ungaretti L
Download am/vol87/AM87_1139.pdf
American Mineralogist 87 (2002) 1139-1143
The crystal structure of vicanite - (Ce), a borosilicate showing an unusual
(Si3B3O18) polyanion
_database_code_amcsd 0002883
10.8112 10.8112 27.3296 90 90 120 R3m
atom       x       y       z  occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
CeM1 -.13188  .13188 -.31881 .751 .0096  .0092  .0092  .0087  .0033  .0007 -.0007
CaM1 -.13188  .13188 -.31881 .249 .0096  .0092  .0092  .0087  .0033  .0007 -.0007
LaM2 -.13794  .13794  .09655 .738 .0121  .0135  .0135  .0097  .0069 -.0008  .0008
CaM2 -.13794  .13794  .09655 .262 .0121  .0135  .0135  .0097  .0069 -.0008  .0008
CaM3  .11490 -.11490 -.09790 .992 .0149  .0158  .0158  .0156  .0097  .0018 -.0018
CeM3  .11490 -.11490 -.09790 .008 .0149  .0158  .0158  .0156  .0097  .0018 -.0018
CaM4  .13025 -.13025  .46683 .983 .0151  .0132  .0132  .0111  .0008  .0020 -.0020
CeM4  .13025 -.13025  .46683 .017 .0151  .0132  .0132  .0111  .0008  .0020 -.0020
ThM5  .14125 -.14125  .21736 .816 .0088  .0082  .0082  .0088  .0033 -.0002  .0002
CaM5  .14125 -.14125  .21736 .184 .0088  .0082  .0082  .0088  .0033 -.0002  .0002
Fe         0       0       0 .823 .0064  .0070  .0070  .0051  .0035      0      0
Al         0       0       0 .177 .0064  .0070  .0070  .0051  .0035      0      0
Si1    .1692  -.1692   .0431      .0087  .0091  .0091  .0091  .0055 -.0001  .0001
Si2   -.1701   .1701  -.0404      .0084  .0083  .0083  .0089  .0043  .0001 -.0001
B1    -.0780   .0780   .2926      .0098  .0111  .0111  .0076  .0058 -.0006  .0006
B2         0       0   .1467      .0156  .0143  .0143  .0182  .0072      0      0
As1        0       0  -.2107 .773 .0088  .0092  .0092  .0078  .0046      0      0
P1         0       0  -.2107 .227 .0088  .0092  .0092  .0078  .0046      0      0
As2        0       0  -.4576 .417 .0074  .0078  .0078  .0067  .0039      0      0
Na         0       0  -.4264 .583 .0238  .0311  .0311  .0091  .0156      0      0
O1     .0821  -.0821   .0452      .0111  .0116  .0116  .0135  .0082  .0002 -.0002
O2     .1867  -.1867  -.0149      .0120  .0164  .0164  .0089  .0124  .0013 -.0013
O3     .3233  -.0680   .0694      .0132  .0122  .0137  .0132  .0060 -.0033 -.0017
O4    -.0837   .0837  -.0490      .0120  .0110  .0110  .0157  .0069 -.0001  .0001
O5    -.1926   .1926   .0170      .0124  .0144  .0144  .0095  .0080 -.0003  .0003
O6    -.3277   .0783  -.0643      .0151  .0108  .0145  .0142  .0020 -.0033 -.0010
O7     .0761  -.0761   .3045      .0089  .0081  .0081  .0114  .0049 -.0003  .0003
O8    -.0951   .0951   .2389      .0096  .0122  .0122  .0078  .0087 -.0009  .0009
O9     .0728  -.0728   .1443      .0135  .0152  .0152  .0133  .0099 -.0005  .0005
O10        0       0  -.1491      .0161  .0153  .0153  .0175  .0077      0      0
O11    .1605   .0460  -.2332   .5 .0191  .0125  .0289  .0147  .0094 -.0006 -.0008
O12   -.0812   .0812  -.4922 .417 .0185  .0156  .0156  .0239  .0074  .0001 -.0001
F12   -.0812   .0812  -.4922 .583 .0185  .0156  .0156  .0239  .0074  .0001 -.0001
F13        0       0  -.3366      .0258  .0174  .0174  .0425  .0087      0      0
F14    .0212   .3058  -.1612      .0200  .0165  .0197  .0235  .0088 -.0072 -.0017
Wat        0       0    .435  .21 .0200
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Tremolite
Download hom/tremolite.pdf
Ballirano P, Andreozzi G B, Belardi G
Download am/vol93/AM93_1349.pdf
American Mineralogist 93 (2008) 1349-1355
Crystal chemical and structural characterization of fibrous tremolite from
Susa Valley, Italy, with comments on potential harmful effects on human health
Locality: Condove, Susa Valley, Italy
_database_code_amcsd 0004630
9.84174 18.05932 5.27876 90 104.732 90 C2/m
atom      x      y     z  occ Uiso
CaM4      0 .27737    .5  .97 .007
KM4       0 .27737    .5 .005 .007
NaM4      0 .27737    .5 .025 .007
AlM1      0 .08738    .5 .005 .007
FeM1      0 .08738    .5 .025 .007
MgM1      0 .08738    .5  .96 .007
MnM1      0 .08738    .5  .01 .007
MgM2      0 .17656     0  .97 .007
FeM2      0 .17656     0  .03 .007
MgM3      0      0     0  .99 .007
FeM3      0      0     0  .01 .007
Si1  .28106 .08436 .2977      .005
Si2  .28751 .17064 .8041      .005
O1    .1139 .08679 .2178      .008
O2    .1166 .17198 .7236      .008
O3    .1085      0 .7137  .98 .008
F     .1085      0 .7137 .015 .008
Cl    .1085      0 .7137 .005 .008
O4    .3657 .24749 .7897      .008
O5    .3454 .13364 .0985      .008
O6    .3438 .11794 .5950      .008
O7    .3387      0 .2893      .008
H      .206      0  .771  .98 .030
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Picromerite
Download hom/picromerite.pdf
Bosi F, Belardi G, Ballirano P
Download am/vol94/AM94_74.pdf
American Mineralogist 94 (2009) 74-82
Structural features in Tutton's salts K2[M2+(H2O)6](SO4)2,
with M2+= Mg, Fe, Co, Ni, Cu, and Zn
Locality: synthetic
_database_code_amcsd 0004776
9.0954 12.2484 6.1335 90 104.880 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)
K     .13134  .34617 .34067 .03040 .03259 .03123 .02921 -.00269 .01124 -.00037
MgM        0       0      0 .01600  .0154  .0168  .0157  -.0011  .0037   .0002
S     .41077  .13607 .72574 .01749 .01540 .01931 .01754 -.00266 .00382 -.00196
O1    .40448  .23014 .57271  .0333  .0511  .0242  .0240  -.0128  .0083   .0023
O2    .55583  .07906  .7543  .0410  .0185  .0552  .0456   .0099  .0016  -.0102
O3    .28666  .06067 .62018 .02365  .0214  .0240  .0257  -.0080  .0064  -.0059
O4    .39265  .17398 .94652  .0272  .0377  .0261  .0193  -.0045  .0103  -.0048
OW1   .16878  .10875 .16561 .02416  .0219  .0284  .0208  -.0074  .0029  -.0005
OW2  -.16687  .11337 .03085 .02245  .0192  .0208  .0272   .0013  .0058   .0010
OW3  -.00576 -.06931 .29752 .02324  .0280  .0219  .0225   .0028  .0114   .0037
H11     .208    .090   .284   .045
H12     .232    .124   .104   .032
H21    -.245    .104  -.054   .049
H22    -.145    .177  -.003   .040
H31    -.073   -.066   .340   .075
H32     .027   -.131   .334   .051
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K2Fe(SO4)2(H2O)6
 
Bosi F, Belardi G, Ballirano P
Download am/vol94/AM94_74.pdf
American Mineralogist 94 (2009) 74-82
Structural features in Tutton's salts K2[M2+(H2O)6](SO4)2,
with M2+= Mg, Fe, Co, Ni, Cu, and Zn
Locality: synthetic
_database_code_amcsd 0004777
9.0822 12.2786 6.1765 90 104.568 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)
K     .13292  .34612 .34165 .03318  .0335  .0321  .0281  -.0024  .0088  -.0002
FeM        0       0      0 .01664  .0152  .0171  .0157 -.00117 .00047  .00022
S     .41170  .13502 .72661 .02074  .0166  .0206  .0174 -.00235  .0016 -.00192
O1     .4065  .22972  .5758  .0370  .0515  .0258  .0242  -.0121  .0038   .0041
O2     .5553   .0764  .7503  .0441  .0202  .0598  .0410   .0109 -.0016  -.0133
O3    .28558  .06087  .6222  .0276  .0230  .0261  .0263  -.0083  .0051  -.0056
O4     .3960  .17192  .9476  .0303  .0377  .0280  .0199  -.0031  .0081  -.0040
OW1    .1725  .11375  .1714  .0284  .0228  .0309  .0214  -.0072 -.0013   .0004
OW2  -.17268  .11702  .0311  .0265  .0210  .0237  .0284   .0028  .0043   .0011
OW3   -.0045 -.07101  .3023  .0274  .0307  .0253  .0214   .0032  .0084   .0037
H11     .215    .088   .298   .029
H12     .247    .121   .108   .061
H21    -.262    .102  -.070   .035
H22    -.128    .185   .034   .070
H31    -.093   -.070   .341   .055
H32     .040   -.141   .354   .061
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K2Co(SO4)2(H2O)6
 
Bosi F, Belardi G, Ballirano P
Download am/vol94/AM94_74.pdf
American Mineralogist 94 (2009) 74-82
Structural features in Tutton's salts K2[M2+(H2O)6](SO4)2,
with M2+= Mg, Fe, Co, Ni, Cu, and Zn
Locality: synthetic
_database_code_amcsd 0004778
9.0609 12.2156 6.1586 90 104.839 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)
K     .13269  .34534 .34159 .02916  .0301  .0304 .02903 -.00223 .01121 -.00041
CoM        0       0      0 .01471 .01264 .01578 .01555 -.00105 .00331  .00029
S     .41148  .13499 .72532 .01711 .01455 .01910 .01763 -.00239 .00404 -.00191
O1    .40752  .23005  .5751  .0319  .0462  .0242  .0244  -.0119  .0074   .0023
O2    .55540  .07588  .7517  .0387  .0176  .0523  .0427   .0096  .0013  -.0103
O3    .28472  .06080  .6189  .0232  .0189  .0246  .0265  -.0076  .0068  -.0051
O4    .39463  .17267  .9464  .0260  .0355  .0250  .0189  -.0039  .0096  -.0034
OW1   .17019  .11228  .1665  .0233  .0201  .0277  .0207  -.0068  .0028  -.0004
OW2  -.17045  .11495  .0340  .0222  .0177  .0214  .0274   .0011  .0058   .0004
OW3  -.00388 -.06892  .3000  .0226  .0270  .0217  .0215   .0034  .0107   .0036
H11     .205    .091   .290   .035
H12     .238    .121   .102   .048
H21    -.254    .104  -.050   .058
H22    -.147    .176  -.001   .048
H31    -.072   -.060   .346   .061
H32     .024   -.130   .333   .057
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K2Ni(SO4)2(H2O)6
 
Bosi F, Belardi G, Ballirano P
Download am/vol94/AM94_74.pdf
American Mineralogist 94 (2009) 74-82
Structural features in Tutton's salts K2[M2+(H2O)6](SO4)2,
with M2+= Mg, Fe, Co, Ni, Cu, and Zn
Locality: synthetic
_database_code_amcsd 0004779
9.0049 12.1904 6.1368 90 105.047 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)
K     .13415  .34561 .34287 .02864 .03046  .0295 .02847 -.00189 .01221 -.00026
NiM        0       0      0 .01387 .01271 .01479 .01434 -.00095 .00391  .00014
S     .41182  .13508 .72625 .01642 .01451 .01763 .01711 -.00207 .00410 -.00185
O1    .40933  .22977  .5747  .0305  .0466  .0221  .0236  -.0101  .0103   .0021
O2    .55685  .07498  .7563  .0374  .0172  .0486  .0429   .0090  .0017  -.0096
O3    .28357  .06140  .6186  .0223  .0192  .0238  .0248  -.0080  .0073  -.0049
O4    .39398  .17389  .9472  .0257  .0355  .0257  .0177  -.0035  .0100  -.0035
OW1   .16694  .11095  .1630  .0214  .0200  .0245  .0191  -.0061  .0043  -.0013
OW2  -.16659  .11244  .0356  .0204  .0177  .0191  .0246   .0007  .0061  -.0005
OW3   .00028 -.06662  .3016  .0207  .0252  .0197  .0195   .0013  .0100   .0028
H11     .204    .087   .292   .032
H12     .223    .122   .095   .044
H21    -.249    .102  -.051   .048
H22    -.149    .174  -.005   .042
H31    -.065   -.064   .328   .075
H32     .028   -.135   .328   .064
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Cyanochroite
Download hom/cyanochroite.pdf
Bosi F, Belardi G, Ballirano P
Download am/vol94/AM94_74.pdf
American Mineralogist 94 (2009) 74-82
Structural features in Tutton's salts K2[M2+(H2O)6](SO4)2,
with M2+= Mg, Fe, Co, Ni, Cu, and Zn
Locality: synthetic
_database_code_amcsd 0004780
9.0851 12.1302 6.1674 90 104.450 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)
K     .12305  .34736 .34202 .02853 .02998 .03057 .02703 -.00119 .01086 -.00043
CuM        0       0      0 .01548 .01541 .01697 .01406 -.00243 .00367  .00068
S     .40127  .13607 .72269 .01757 .01673 .01915 .01706 -.00278 .00465 -.00135
O1    .39830  .23523  .5827  .0316  .0466  .0233  .0245  -.0109  .0079   .0035
O2    .54389  .07577  .7409  .0359  .0193  .0482  .0381   .0076  .0033  -.0076
O3    .27318  .06377 .61100  .0230  .0201  .0258  .0236  -.0076  .0062  -.0052
O4    .38523  .16801 .94724  .0273  .0357  .0295  .0188  -.0031  .0100  -.0044
OW1   .16072  .11203  .1636  .0261  .0238  .0346  .0192  -.0058  .0043   .0026
OW2  -.18654  .11833  .0369  .0270  .0235  .0282  .0282  -.0021  .0045   .0031
OW3  -.00266 -.06475 .28730  .0204  .0222  .0220  .0188   .0014  .0081   .0033
H11     .194    .093   .295   .055
H12     .228    .122   .098   .044
H21    -.265    .108  -.052   .047
H22    -.161    .184   .005   .055
H31    -.074   -.061   .325   .059
H32     .033   -.131   .316   .064
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K2Zn(SO4)2(H2O)6
 
Bosi F, Belardi G, Ballirano P
Download am/vol94/AM94_74.pdf
American Mineralogist 94 (2009) 74-82
Structural features in Tutton's salts K2[M2+(H2O)6](SO4)2,
with M2+= Mg, Fe, Co, Ni, Cu, and Zn
Locality: synthetic
_database_code_amcsd 0004781
9.0449 12.2213 6.1592 90 104.775 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)
K     .13362  .34570 .34310 .02896  .0311  .0299  .0281  -.0025  .0115  -.0003
ZnM        0       0      0 .01671  .0164 .01722 .01629 -.00150 .00369  .00033
S     .41199  .13524 .72669 .01703  .0154  .0183  .0174  -.0026  .0042  -.0014
O1     .4079  .23002  .5770  .0327  .0506  .0238  .0228  -.0123  .0076   .0030
O2     .5562   .0760  .7528  .0388  .0187  .0518  .0430   .0100  .0023  -.0104
O3     .2841  .06149  .6206  .0232  .0189  .0260  .0255  -.0078  .0070  -.0068
O4     .3954  .17307  .9477  .0255  .0339  .0257  .0190  -.0033  .0103  -.0046
OW1    .1699  .11285  .1667  .0232  .0209  .0271  .0210  -.0065  .0042  -.0004
OW2   -.1702  .11474  .0352  .0222  .0199  .0219  .0248   .0005  .0056   .0001
OW3   -.0023 -.06799  .3000  .0225  .0272  .0220  .0206   .0025  .0104   .0019
H11     .199    .095   .292   .039
H12     .230    .121   .105   .038
H21    -.245    .100  -.053   .047
H22    -.149    .173   .003   .057
H31    -.084   -.063   .337   .067
H32     .031   -.127   .329   .050
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Afghanite
Download hom/afghanite.pdf
Ballirano P, Bosi F
 
American Mineralogist 97 (2012) 630-640
Thermal behavior of afghanite, an ABABACAC member of the cancrinite group
Locality: Case Collina, Latium, Italy
_database_code_amcsd 0018843
12.7961 12.7961 21.4094 90 90 120 P31c
atom       x     y      z  occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
NaM1   .5606 .7815  .3628   .5 .0358  .0470  .0265  .0413  .0239  .0096  .0028
KM1    .5606 .7815  .3628   .5 .0358  .0470  .0265  .0413  .0239  .0096  .0028
NaM2   .0050 .4982  .4905  .58 .0332  .0569  .0236  .0295  .0281 -.0120 -.0048
CaM2   .0050 .4982  .4905  .42 .0332  .0569  .0236  .0295  .0281 -.0120 -.0048
NaM3   .5191 .4883  .7407      .0394  .0295  .0335  .0352  .0008  .0003  .0023
NaM4   .7774 .5553  .6268 .085 .0541  .0301  .0380  .0962  .0186 -.0061 -.0010
CaM4   .7774 .5553  .6268 .085 .0541  .0301  .0380  .0962  .0186 -.0061 -.0010
KM4    .7774 .5553  .6268  .25 .0541  .0301  .0380  .0962  .0186 -.0061 -.0010
NaM4a  .7910 .5768  .6178 .335 .0596  .0416  .1347  .0300  .0647  .0083  .0067
KM4a   .7910 .5768  .6178 .085 .0596  .0416  .1347  .0300  .0647  .0083  .0067
Ca1        0     0  .5021      .0140  .0131  .0131  .0157  .0065      0      0
Ca2        0     0  .7516      .0128  .0116  .0116  .0153  .0058      0      0
Ca3      1/3   2/3  .6324      .0204  .0141  .0141  .0330  .0070      0      0
Ca4      1/3   2/3  .8780      .0285  .0166  .0166  .0524  .0083      0      0
Si1    .7476 .7469  .4955      .0075  .0057  .0071  .0094  .0030  .0001 -.0012
Si2    .0766 .6618  .8695      .0079  .0093  .0073  .0067  .0040  .0001  .0000
Si3    .7488 .7443  .7449      .0067  .0062  .0079  .0076  .0039 -.0006 -.0009
Si4    .0768 .6615  .6218      .0068  .0090  .0064  .0055  .0043  .0008  .0002
Al1   -.0014 .7409  .9958      .0078  .0072  .0076  .0065  .0021  .0008  .0011
Al2    .5963 .6757  .8687      .0080  .0077  .0082  .0080  .0040  .0001  .0002
Al3    .7382 .9958  .7453      .0073  .0074  .0074  .0059  .0029  .0006  .0003
Al4    .5964 .6757  .6223      .0077  .0066  .0056  .0099  .0023 -.0002  .0001
O1    -.0095 .6612  .6764      .0154  .0163  .0140  .0086  .0022 -.0009 -.0049
O2     .6837 .6716  .6826      .0191  .0287  .0183  .0138  .0145 -.0159 -.0093
O3     .0041 .6518  .8054      .0157  .0215  .0149  .0103  .0088 -.0031  .0001
O4     .6663 .6635  .8028      .0207  .0236  .0123  .0230  .0065  .0109  .0011
O5     .7688 .8783  .7464      .0149  .0172  .0091  .0207  .0082  .0003 -.0038
O6    -.0005 .6650  .9277      .0167  .0212  .0142  .0098  .0052  .0031 -.0002
O7     .6776 .6762  .4336      .0197  .0184  .0280  .0115  .0106 -.0084 -.0131
O8     .0138 .6564  .5544      .0140  .0210  .0178  .0066  .0122 -.0034 -.0011
O9     .6593 .6685  .5520      .0213  .0258  .0128  .0202  .0060  .0110  .0032
O10    .8755 .7595  .5039      .0222  .0106  .0306  .0297  .0135 -.0017 -.0102
O11    .7749 .8851  .4962      .0185  .0213  .0063  .0256  .0052  .0023 -.0011
O12    .8819 .7636  .7518      .0182  .0125  .0224  .0253  .0128 -.0050 -.0043
O13    .0912 .5438  .6271      .0232  .0260  .0141  .0367  .0154  .0012  .0013
O14    .0881 .5423  .8776      .0211  .0290  .0110  .0289  .0141  .0019  .0014
O15    .2131 .7730  .6273      .0184  .0116  .0117  .0291  .0038 -.0004  .0014
O16    .2138 .7709  .8683      .0181  .0103  .0108  .0269  .0006 -.0011  .0028
S1       2/3   1/3  .7450      .0421  .0425  .0425  .0414  .0213      0      0
S2       1/3   2/3  .4651      .0285  .0310  .0310  .0234  .0155      0      0
S3       1/3   2/3  .0322      .0694  .0878  .0878  .0324  .0439      0      0
OS1a   .4097 .7754  .2626  1/3 .0629
OS1b   .4461 .7585  .2192  1/3 .0835
OS1c   .4220 .6776  .2941  1/3 .0756
OS1d   .3742 .7769  .1983  1/3 .0589
OS2a     1/3   2/3  .5303      .1571  .2253  .2253  .0206  .1127      0      0
OS2b   .2098 .5990  .4411      .0716  .0306  .0592  .1198  .0185 -.0220 -.0134
OS3a   .2320 .5780  .0714  1/3 .0769
OS3b   .2140 .6200  .0443  1/3 .0541
OS3c   .2779 .6387  .9771  1/3 .0984
OS3d   .2064 .5980 -.0039  1/3 .1390
Cl1        0     0  .6261      .0676  .0946  .0946  .0134  .0473      0      0
Cl2        0     0  .8763      .0660  .0918  .0918  .0141  .0459      0      0
Cl3    .3000 .6436  .7532  1/3 .0712  .0963  .0721  .0245  .0265  .0188 -.0023
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Erionite-Na
 
Cametti G, Pacella A, Mura F, Rossi M, Ballirano P
 
American Mineralogist 98 (2013) 2155-2163
New morphological, chemical, and structural data of
woolly erionite-Na from Durkee, Oregon, U.S.A.
Locality: Durkee, Oregon, USA
_database_code_amcsd 0020041
13.23574 13.23574 15.06516 90 90 120 P6_3/mmc
atom       x      y      z    occ Biso
Mg1      1/3    2/3   .924   .111 12.3
Na2      1/3    2/3  .0893   .806 12.3
Na3      1/3    2/3  .7068   .436 12.3
K1         0      0    .25        2.63
Si1   .23311 .00012 .10454 .82458 .882
Al1   .23311 .00012 .10454 .17542 .882
Si2   .09584 .42458    .25 .72833 .882
Al2   .09584 .42458    .25 .27167 .882
O1    .34831 .02388 .66037        1.34
O2    .10048 .20096 .12694        1.34
O3    .12696 .25392 .64021        1.39
O4    .26342      0      0        1.34
O5    .23071  .4614    .25        1.39
O6    .46155  .9231    .25        1.39
Wat7   .2375  .4750    .75   .641 4.96
Wat8   .2565  .5131  .9674   .403 9.93
Wat9   .4975  .9950  .9501   .239 9.93
Wat10  .4365  .8731  .6601   .565 9.93
Wat11  .2707  .5413  .6466   .363 9.93
Wat12  .4365  .8729  .0049   .704 9.93
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Erionite-K
Download hom/erionitek.pdf
Ballirano P, Andreozzi G B, Dogan M, Dogan A U
Download am/vol94/AM94_1262.pdf
American Mineralogist 94 (2009) 1262-1270
Crystal structure and iron topochemistry of
erionite-K from Rome, Oregon, U.S.A.
Locality: Rome, Oregon, USA
_database_code_amcsd 0004973
13.22794 13.22794 15.06946 90 90 120 P6_3/mmc
atom      x       y      z  occ  Uiso
K1        0       0    .25 .976 .0286
NaB   .3065   .6130  .0902 .209  .202
CaB   .3065   .6130  .0902 .090  .202
MgA    .308    .617   .872 .093  .202
MnB   .3065   .6130  .0902 .002  .202
Al1  .23397 -.00016 .10440 .143 .0054
Si1  .23397 -.00016 .10440 .857 .0054
Si2  .09314  .42355    .25 .723 .0091
Al2  .09314  .42355    .25 .277 .0091
O1   .34747  .02431 .66096      .0122
O2   .09799   .1960 .12546      .0108
O3   .12540   .2508  .6335      .0242
O4   .26678       0      0      .0125
O5   .23430   .4686    .25      .0318
O6   .45910   .9182    .25      .0339
K2       .5       0      0 .135 .0286
Wat1  .2299   .4597    .75 .744  .080
Wat2  .2635   .5269 -.0388 .279  .182
Wat3  .4317   .8633   .921 .377  .182
Wat4  .4352   .8704  .6626 .458  .182
Wat5  .2667    .533   .681 .366  .182
Wat6  .4435   .8871  .0143 .693  .182
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Fluoro-edenite
 
Andreozzi G B, Ballirano P, Gianfagna A, Mazziotti-Tagliani S, Pacella A
Download am/vol94/AM94_1333.pdf
American Mineralogist 94 (2009) 1333-1340
Structural and spectroscopic characterization of a suite of fibrous amphiboles
with high environmental and health relevance from Biancaville (Sicily, Italy)
Locality: Biancaville, Sicily, Italy
Sample Name: Sample 1
_database_code_amcsd 0004975
9.8056 18.0105 5.2725 90 104.406 90 C2/m
atom        x      y     z occ Uiso
O1      .1105  .0865 .2174      .01
O2      .1180  .1703 .7250      .01
O3      .1014      0 .7090      .01
O4      .3681  .2477 .7997      .01
O5      .3459  .1328 .0976      .01
O6      .3442  .1139 .5987      .01
O7      .3451      0 .2745      .01
SiT1    .2772 .08347 .2926 .96 .005
AlT1    .2772 .08347 .2926 .04 .005
SiT2    .2917 .16898 .8050 .96 .005
AlT2    .2917 .16898 .8050 .04 .005
MgM1        0  .0884    .5 .95 .006
Fe2+M1      0  .0884    .5 .05 .006
MgM2        0  .1770     0 .80 .006
Fe2+M2      0  .1770     0 .02 .006
Fe3+M2      0  .1770     0 .18 .006
MgM3        0      0     0     .006
CaM4        0 .27571    .5 .64 .011
NaM4        0 .27571    .5 .24 .011
MnM4        0 .27571    .5 .04 .011
FeM4        0 .27571    .5 .08 .011
KA          0     .5     0 .21 .025
NaA         0     .5     0 .79 .025
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Fluoro-edenite
 
Andreozzi G B, Ballirano P, Gianfagna A, Mazziotti-Tagliani S, Pacella A
Download am/vol94/AM94_1333.pdf
American Mineralogist 94 (2009) 1333-1340
Structural and spectroscopic characterization of a suite of fibrous amphiboles
with high environmental and health relevance from Biancaville (Sicily, Italy)
Locality: Biancaville, Sicily, Italy
Sample Name: Sample 2
_database_code_amcsd 0004976
9.8112 18.0162 5.2774 90 104.624 90 C2/m
atom        x      y     z occ Uiso
O1      .1109  .0850 .2225      .01
O2      .1186  .1722 .7215      .01
O3      .1048      0 .7092      .01
O4      .3661  .2486 .7914      .01
O5      .3475  .1342 .0990      .01
O6      .3443  .1162 .5968      .01
O7      .3431      0  .289      .01
SiT1    .2794 .08388 .2957 .95 .005
AlT1    .2794 .08388 .2957 .05 .005
SiT2    .2916 .17076 .8052 .95 .005
AlT2    .2916 .17076 .8052 .05 .005
MgM1        0  .0882    .5 .96 .006
Fe2+M1      0  .0882    .5 .04 .006
MgM2        0  .1768     0 .72 .006
Fe2+M2      0  .1768     0 .04 .006
Fe3+M2      0  .1768     0 .24 .006
MgM3        0      0     0 .99 .006
Fe2+M3      0      0     0 .01 .006
CaM4        0  .2762    .5 .78 .011
NaM4        0  .2762    .5 .16 .011
MnM4        0  .2762    .5 .02 .011
Fe2+M4      0  .2762    .5 .04 .011
KA          0     .5     0 .09 .020
NaA(m)   .082     .5  .079 .31 .030
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Fluoro-edenite
 
Andreozzi G B, Ballirano P, Gianfagna A, Mazziotti-Tagliani S, Pacella A
Download am/vol94/AM94_1333.pdf
American Mineralogist 94 (2009) 1333-1340
Structural and spectroscopic characterization of a suite of fibrous amphiboles
with high environmental and health relevance from Biancaville (Sicily, Italy)
Locality: Biancaville, Sicily, Italy
Sample Name: Sample 3
_database_code_amcsd 0004977
9.8272 17.9899 5.2756 90 104.596 90 C2/m
atom        x      y     z occ Uiso
O1      .1121 .08488 .2196      .01
O2      .1168 .17076 .7279      .01
O3      .1016      0 .7136      .01
O4      .3614 .24898 .7982      .01
O5      .3492 .13333 .1006      .01
O6      .3434 .11831 .5983      .01
O7      .3454      0 .2830      .01
SiT1   .28044 .08421 .2971 .95 .005
AlT1   .28044 .08421 .2971 .05 .005
SiT2   .28837 .17102 .8057 .95 .005
AlT2   .28837 .17102 .8057 .05 .005
MgM1        0 .08670    .5 .94 .006
Fe3+M1      0 .08670    .5 .06 .006
MgM2        0 .17833     0 .85 .006
Fe2+M2      0 .17833     0 .02 .006
Fe3+M2      0 .17833     0 .13 .006
MgM3        0      0     0     .006
CaM4        0 .27751    .5 .70 .011
NaM4        0 .27751    .5 .19 .011
MnM4        0 .27751    .5 .03 .011
MgM4        0 .27751    .5 .08 .011
KA          0     .5     0 .10 .020
NaA(m)  .0443     .5  .131 .47 .030
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Fluoro-edenite
 
Andreozzi G B, Ballirano P, Gianfagna A, Mazziotti-Tagliani S, Pacella A
Download am/vol94/AM94_1333.pdf
American Mineralogist 94 (2009) 1333-1340
Structural and spectroscopic characterization of a suite of fibrous amphiboles
with high environmental and health relevance from Biancaville (Sicily, Italy)
Locality: Biancaville, Sicily, Italy
Sample Name: Sample 4
_database_code_amcsd 0004978
9.7935 17.9728 5.2746 90 104.403 90 C2/m
atom        x      y     z occ Uiso
O1      .1100  .0857 .2205      .01
O2      .1142  .1733 .7190      .01
O3      .1048      0 .7177      .01
O4      .3614 .24980 .8014      .01
O5      .3497  .1327 .0931      .01
O6      .3427  .1195 .5938      .01
O7      .3462      0 .2874      .01
SiT1    .2780 .08468 .2939 .95 .005
AlT1    .2780 .08468 .2939 .05 .005
SiT2    .2906 .17007 .8080 .95 .005
AlT2    .2906 .17007 .8080 .05 .005
MgM1        0 .08645    .5 .98 .006
Fe3+M1      0 .08645    .5 .02 .006
MgM2        0 .17903     0 .74 .006
Fe2+M2      0 .17903     0 .02 .006
Fe3+M2      0 .17903     0 .24 .006
MgM3        0      0     0 .96 .006
Fe3+M3      0      0     0 .04 .006
CaM4        0 .27827    .5 .65 .011
NaM4        0 .27827    .5 .22 .011
MnM4        0 .27827    .5 .03 .011
MgM4        0 .27827    .5 .10 .011
KA          0     .5     0 .24 .025
NaA         0     .5     0 .76 .025
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Liottite
Download hom/liottite.pdf
Ballirano P, Merlino S, Bonaccorsi E, Maras A
Download cm/vol34/CM34_1021.pdf
The Canadian Mineralogist 34 (1996) 1021-1030
The crystal structure of liottite, a six-layer member of the cancrinite group
_database_code_amcsd 0005509
12.870 12.870 16.096 90 90 120 P-6
atom      x      y      z  occ  Uiso
Si1   .9954  .7437      0      .0077
Al1   .3339  .4088 .83304      .0081
Si2  .67182 .08217 .66374      .0075
Al2   .3364  .4097     .5      .0071
Si3  .58517 .66611 .83287      .0077
Al3   .7378  .7488      0      .0076
Si4   .5873  .6700     .5      .0072
Al4   .9282  .3431 .66345      .0079
O1    .8771  .1258      0      .0250
O2    .1025  .8798      0      .0207
O3    .9943  .6706  .9182      .0190
O4    .6631  .6698  .9119      .0203
O5    .2179  .7886  .8253      .0209
O6    .4501  .5552  .8386      .0209
O7    .3463  .3310  .7491      .0179
O8    .6574  .6560  .7543      .0193
O9    .5464  .4367  .6545      .0170
O10   .7933  .2105  .6632      .0266
O11   .6772  .0062  .5856      .0179
O12   .6659  .6735  .5794      .0177
O13   .2173  .7836     .5      .0197
O14   .4540  .5557     .5      .0148
Ca1     1/3    2/3     .5      .0162
Ca2     1/3    2/3  .8330      .0172
Ca3       0      0  .9783   .5 .0219
Ca4     2/3    1/3  .3915   .5 .0191
Ca5     2/3    1/3  .3436   .5 .0294
K1    .8463  .1651     .5      .0170
K1a    .857   .143     .5      .0170
K2    .1125  .8864  .6651      .0392
K2a    .145   .851   .675      .0392
K3    .8364  .1722  .8313      .0248
K3a    .816   .191   .847      .0248
K4    .5543  .4458      0      .0338
F     .7476  .2700     .5 .167 .0256
Cl1     1/3    2/3      0      .0732
Cl2     2/3    1/3     .5   .5 .1608
Cl3     1/3    2/3  .3335      .0742
S1        0      0  .7971   .5 .0172
S1'    .977   .013  .7874 .167 .0338
S2    .0357   .017     .5  1/3 .0348
S3      2/3    1/3  .8568      .0410
OS1a      0      0   .886   .5 .1005
OS1b  .1213  .0582  .7676  2/3 .0738
OS1c   .056   .094   .723  1/6 .1154
OS1d   .119   .054   .845  1/3 .0864
OS2a   .119   .058   .426  1/3 .0649
OS2b   .110   .051   .479  1/3 .1349
OS3a    2/3    1/3  .2409   .5 .0350
OS3b  .7285  .4595  .8789  2/3 .0366
OS3c   .692   .298   .211  1/6 .0931
OS3d   .728   .288   .913  1/3 .1281
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IMA2008-065
 
Ballirano P, Bonaccorsi E, Merlino S
Download cm/vol36/CM36_1285.pdf
The Canadian Mineralogist 36 (1998) 1285-1292
Carbonate groups in davyne: Structural and crystal-chemical considerations
_database_code_amcsd 0005578
12.6916 12.6916 5.3333 90 90 120 P6_3
atom      x      y    z  occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Si   .32745 .40795 .746       .0066  .0082  .0097  .0040  .0004  .0006
Al   .06911 .40807 .746       .0077  .0084  .0095  .0047  .0003  .0004
O1    .2138  .4297 .717       .0117  .0267  .0437  .0140  .0044  .0108
O2    .0977  .5557 .741       .0195  .0103  .0225  .0089  .0001  .0000
O3    .0030  .3254 .018       .0274  .0201  .0193  .0164  .0139  .0085
O4    .3147  .3354 .001       .0183  .0204  .0160  .0064 -.0050  .0072
Ca      2/3    1/3 .218       .0148  .0148  .0256  .0074      0      0
Cl     .336   .650 .221  .33  .1357  .1119  .0211  .0849 -.0283 -.0247
NaM1  .1179  .2459 .288  .43  .0209  .0432  .0381  .0222  .0048 -.0041
CaM1  .1179  .2459 .288  .10  .0209  .0432  .0381  .0222  .0048 -.0041
NaM2   .119   .234 .219  .22  .0337  .0715  .0357  .0423  .0094 -.0071
CaM2   .119   .234 .219  .05  .0337  .0715  .0357  .0423  .0094 -.0071
NaM3   .154   .316 .260  .16  .0549  .1622  .0344  .0840 -.0046 -.0066
CaM3   .154   .316 .260  .04  .0549  .1622  .0344  .0840 -.0046 -.0066
C1        0      0 .167  .29
OC1    .114   .059 .167  .29  .0222  .0276  .1200  .0120 -.0013 -.0178
C2        0      0 .380  .10
OC2    .118   .060 .380  .19  .0222  .0276  .1200  .0120 -.0013 -.0178
S         0      0 .266  .09
OS        0      0  .98  .09
Cl1    .014   .059  .08 .048
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Franzinite
Download hom/franzinite.pdf
Ballirano P, Bonaccorsi E, Maras A, Merlino S
Download cm/vol38/CM38_657.pdf
The Canadian Mineralogist 38 (2000) 657-668
The crystal structure of franzinite, the ten-layer mineral of
the cancrinite group
_database_code_amcsd 0005652
12.916 12.916 26.543 90 90 120 P321
atom      x     y     z occ  Uiso
Si1   .5834 .6684 .9018     .0158
Al1   .4190 .3332 .0978     .0135
Al2   .5866 .6658 .1963      .019
Si2   .4158 .3323 .8038     .0121
Al3   .5927 .6770 .6028     .0120
Si3   .4162 .3365 .3964     .0139
Al4   .7511 .7511     0      .018
Si4   .2472 .2472     0      .013
Si5   .7486 .7495 .2976     .0131
Al5   .2540 .2515 .7026      .015
Si6   .7485 .7485    .5      .014
Al6   .2544 .2544    .5      .012
O1    .4462  .218 .1051      .065
O2     .875 .7478 .2876      .028
O3    .2425 .1159 .5098      .025
O4     .322 .0005 .3468      .028
O5     .671  .002 .6482      .025
O6     .659 .6760 .5470      .022
O7     .353 .3302 .4504      .022
O8     .669  .650 .1495      .049
O9     .348  .351 .8495      .060
O10   .4501 .2340 .3901      .022
O11    .666  .686 .9481      .072
O12    .327  .307 .0468      .084
O13    .442  .549 .1995      .035
O14    .541 .0786 .3940      .026
O15    .656  .673 .2534      .027
O16    .344  .320 .7537      .053
O17    .888 .7821 .6994      .030
O18   .4275  .220 .8161      .037
O19   .9157  .454 .0863      .065
O20    .120  .233 .0106      .074
S1     .373  .676 .0546 1/3  .064
S2     .343  .706 .7415 1/3  .078
S3     .025  .023 .1561 1/3  .080
S4      1/3   2/3 .3199     .0293
S5      1/3   2/3 .4884     .0241
Wat    .009  .039  .604       .11
KA1     2/3   1/3 .8189     .0370
NaA2      0     0  .490  .5   .20
NaA3      0     0 .7218 .19  .034
KA3       0     0 .7218 .17  .034
NaA3a     0     0 .7477 .10  .034
KA3a      0     0 .7477 .08  .034
NaA3b     0     0 .7009 .12  .034
KA3b      0     0 .7009 .10  .034
NaA4      0     0 .0318 .24  .060
KA4       0     0 .0318 .03  .060
NaA4a     0     0     0 .06  .060
KA4a      0     0     0 .01  .060
KA5     2/3   1/3 .3733     .0276
NaA6    2/3   1/3 .0635 .31  .051
KA6     2/3   1/3 .0635 .06  .051
NaA6a   2/3   1/3 .1339 .21  .051
KA6a    2/3   1/3 .1339 .04  .051
NaM1   .503  .503     0 .28  .047
KM1    .503  .503     0 .14  .047
NaM1a  .450  .544 .0150 .09  .047
KM1a   .450  .544 .0150 .05  .047
KM2   .7815 .5649 .5960 .74 .0289
NaM2  .7815 .5649 .5960 .17 .0289
NaM3  .4909 .5140 .3017 .50 .0396
KM3   .4909 .5140 .3017 .16 .0396
KM4   .5015 .5015    .5 .47 .0284
NaM4  .5015 .5015    .5 .34 .0284
NaM5   .849 .6967 .8973 .21  .041
KM5    .849 .6967 .8973 .08  .041
NaM5a  .806  .586 .9164 .09  .041
KM5a   .806  .586 .9164 .03  .041
NaM5b  .873  .760 .8870 .11  .041
KM5b   .873  .760 .8870 .04  .041
NaM5c  .829  .650  .903 .08  .041
KM5c   .829  .650  .903 .03  .041
NaM6   .834 .6655 .2001 .20  .034
KM6    .834 .6655 .2001 .13  .034
NaM6a  .772  .556 .2169 .09  .034
KM6a   .772  .556 .2169 .06  .034
NaM6b  .873  .726 .1849 .08  .034
KM6b   .873  .726 .1849 .05  .034
NaM6c  .795  .605 .2139 .07  .034
KM6c   .795  .605 .2139 .05  .034
OS1a   .617   .32 .9054       .12
OS1b   .375  .603 .0207       .16
OS1c   .488  .736  .076       .16
OS2a   .401  .786 .7078       .10
OS2b   .730  .470  .225       .07
OS2c   .728  .399  .229       .12
OS3a   .046  .126  .131       .08
OS3b   .113  .078  .184       .18
OS3c   .045  .042  .113       .13
OS4a    1/3   2/3 .2650      .093
OS4b   .396  .789 .3390      .053
OS5a    1/3   2/3 .5433      .058
OS5b   .397  .791 .4698      .042
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Fluoro-edenite
 
Gianfagna A, Andreozzi G B, Ballirano P, Mazziotti-Tagliani S, Bruni B M
Download cm/vol45/CM45_249.pdf
The Canadian Mineralogist 45 (2007) 249-262
Structural and chemical contrasts between prismatic and fibrous fluoro-edenite
from Biancavilla, Sicily, Italy
Locality: Biancavilla, Mt. Etna, Sicily, Italy
_database_code_amcsd 0006136
9.8125 18.0188 5.2781 90 104.620 90 C2/m
atom       x     y     z  occ Uiso
KA         0    .5     0 .157  .02
NaAm    .074    .5  .067 .154 .030
CaM4       0 .2761    .5 .753 .011
NaM4       0 .2761    .5 .247 .011
AlM1       0 .0886    .5 .052 .006
TiM1       0 .0886    .5 .031 .006
MgM1       0 .0886    .5 .917 .006
Fe3+M2     0 .1767     0 .167 .006
Fe2+M2     0 .1767     0 .063 .006
MnM2       0 .1767     0 .031 .006
MgM2       0 .1767     0 .729 .006
Fe2+M3     0     0     0 .037 .006
MgM3       0     0     0 .963 .006
SiT1   .2807 .0838 .2961 .933 .005
AlT1   .2807 .0838 .2961 .067 .005
SiT2   .2913 .1709 .8047 .933 .005
AlT2   .2913 .1709 .8047 .067 .005
O1     .1115 .0851 .2219      .010
O2     .1191 .1727 .7217      .010
F3     .1028     0 .7077 .985 .010
Cl3    .1028     0 .7077 .010 .010
O4     .3670 .2487 .7903      .010
O5     .3463 .1344 .0986      .010
O6     .3453 .1168 .5959      .010
O7     .3425     0 .2917      .010
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Afghanite
Download hom/afghanite.pdf
Ballirano P, Bonaccorsi E, Maras A, Merlino S
 
European Journal of Mineralogy 9 (1997) 21-30
Crystal structure of afghanite, the eight-layer member
of the cancrinite-group: evidence for long-range Si,Al ordering
_database_code_amcsd 0006636
12.8013 12.8013 21.4119 90 90 120 P31c
atom     x     y     z   occ  Uiso
Si1  .2530 .0000 .4950       .0049
Al1  .7412 .0000 .9952       .0117
Si2  .9234 .5849 .3687       .0091
Al2  .0784 .4032 .8684       .0088
Si3  .0056 .2570 .2445       .0091
Al3  .0040 .7424 .7450       .0057
Si4  .9232 .5851 .1217       .0075
Al4  .0783 .4035 .6220       .0070
O1    .342  .333 .6773       .0254
O2    .669  .680 .1820       .0194
O3    .348  .345 .8062       .0161
O4    .663  .668 .3020       .0194
O5    .122  .887 .7462       .0147
O6    .336  .335 .4281       .0266
O7    .674  .677 .9335       .0214
O8   .3516 .3424 .0554       .0153
O9    .658  .669 .5508       .0220
O10   .121  .883 .0028       .0310
O11   .117  .887 .4947       .0217
O12   .118  .884 .2491       .0223
O13  .4580 .5465 .6257       .0293
O14  .4562 .5482 .8750       .0202
O15  .2113 .7732 .6264       .0208
O16  .2128 .7715 .8660       .0188
Ca1      0     0     0       .0175
Ca2      0     0 .2500       .0163
Ca3    1/3   2/3 .6296   .90 .0131
Ca3a   1/3   2/3  .660   .10 .0131
Ca4    1/3   2/3 .8791   .90 .0147
Ca4a   1/3   2/3  .853   .10 .0147
Cl1      0     0 .1237       .0701
Cl2      0     0 .3739       .0796
Cl3    1/3   2/3 .7527   .90 .1157
F    .4018 .5995 .7452 .0334 .0500
K1   .4432 .2235 .8651   .17 .0387
Ca1  .4432 .2235 .8651   .06 .0387
Na1  .4432 .2235 .8651   .27 .0387
K1a   .386  .199  .860   .17 .0387
Ca1a  .386  .199  .860   .06 .0387
Na1a  .386  .199  .860   .27 .0387
K2   .5054 .5014 .9912  .305 .0377
Ca2  .5054 .5014 .9912  .145 .0377
Na2  .5054 .5014 .9912   .55 .0377
K3   .5211 .4845 .7412  .015 .0399
Ca3  .5211 .4845 .7412  .008 .0399
Na3  .5211 .4845 .7412   .97 .0399
K4    .423  .210 .6238 .0666 .0341
Ca4   .423  .210 .6238 .0303 .0341
Na4   .423  .210 .6238   .41 .0341
K4a   .456  .236 .6163   .06 .0341
Ca4a  .456  .236 .6163   .03 .0341
Na4a  .456  .236 .6163   .41 .0341
S1     1/3   2/3 .2475       .0429
S2     1/3   2/3 .4625       .0445
S3     1/3   2/3 .0301       .0532
OS1a  .444  .744  .278   1/3 .0920
OS1b  .400  .619  .208   1/3 .1173
OS1c   .40   .64  .296   1/3 .1387
OS1d  .432  .762  .214   1/3 .1895
OS2a   1/3   2/3 .5231       .1252
OS2b  .211  .608  .442       .0875
OS3a  .206  .587  .073   1/3 .1621
OS3b  .215  .608  .042   2/3 .1251
OS3c  .265  .635  .970   1/3 .1596
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Bassanite
Download hom/bassanite.pdf
Ballirano P, Maras A, Meloni S, Caminiti R
 
European Journal of Mineralogy 13 (2001) 985-993
The monoclinic I2 structure of bassanite, calcium sulphate hemihydrate
_database_code_amcsd 0006909
12.0350 6.9294 12.6705 90 90.266 90 I2
atom      x     y     z Biso
Ca1       0    .5     0  .91
Ca2      .5  .011     0  .91
Ca3   .2380  .199 .1677  .91
Ca4   .2217  .165 .6648  .91
S1   -.0016  .499 .2493  .75
S2    .2247  .164 .9183  .75
S3    .2282  .185 .4146  .75
O1     .127  .211  .984  .90
O2     .125  .230  .473  .90
O3     .074  .616  .315  .90
O4     .075  .620  .816  .90
O5     .196  .044  .332  .90
O6     .205 -.015  .858  .90
O7     .057  .366  .178  .90
O8     .058  .376  .673  .90
O9     .272  .359  .361  .90
O10    .238  .317  .838  .90
O11    .319  .161  .991  .90
O12    .308  .103  .491  .90
Wat1      0  .843     0  6.4
Wat2   .953  .004  .353  6.4
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Dietrichite
Download hom/dietrichite.pdf
Ballirano P, Bellatreccia F, Grubessi O
 
European Journal of Mineralogy 15 (2003) 1043-1049
New crystal-chemical and structural data of dietrichite,
ideally ZnAl2(SO4)4*22H2O, a member of the halotrichite group
_database_code_amcsd 0007025
6.1757 24.262 21.206 90 100.436 90 P2_1/c
atom        x     y     z  occ Uiso
Zn       .370 .5957 .0803 .954 .014
Al(1)    .441 .6128 .4242  .97 .016
Al(2)    .692 .3454 .1957 1.02 .016
S(1)     .087 .2431 .5261      .018
S(2)     .964 .4644 .3886      .018
S(3)     .140 .1961 .2571      .018
S(4)     .165 .4745 .1045      .018
O(1)     .136  .214 .4694      .035
O(2)     .017 .2999  .508      .035
O(3)    -.089 .2146  .551      .035
O(4)     .287  .244 .5762      .035
O(5)     .993  .436 .3293      .035
O(6)     .894 .5217  .372      .035
O(7)     .793  .436  .417      .035
O(8)     .173 .4646 .4352      .035
O(9)     .132  .188 .3257      .035
O(10)    .220 .2528  .249      .035
O(11)   -.082 .1884  .218      .035
O(12)    .294 .1560  .236      .035
O(13)    .157 .4426 .1639      .035
O(14)    .236 .4383  .056      .035
O(15)   -.057 .4962  .079      .035
O(16)    .323 .5207  .120      .035
Wat(1)   .697  .586  .122      .035
Wat(2)   .324  .634  .165      .035
Wat(3)   .434  .673  .043      .035
Wat(4)   .044  .609  .044      .035
Wat(5)   .406  .559 -.004      .035
Wat(6)   .491  .559  .366      .035
Wat(7)   .153  .620  .375      .035
Wat(8)   .536  .668  .371      .035
Wat(9)   .368  .669  .480      .035
Wat(10)  .733  .606  .472      .035
Wat(11)  .357  .560  .478      .035
Wat(12)  .529  .348  .112      .035
Wat(13)  .943  .317  .168      .035
Wat(14)  .603  .271  .208      .035
Wat(15)  .839  .344  .281      .035
Wat(16)  .444  .372  .224      .035
Wat(17)  .785  .418  .187      .035
Wat(18)  .808  .259  .364      .035
Wat(19)  .199  .540  .264      .035
Wat(20)  .665  .507  .234      .035
Wat(21)  .405  .389  .346      .035
Wat(22)  .416  .291  .413      .035
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Cancrinite
Download hom/cancrinite.pdf
Ballirano P, Maras A
 
European Journal of Mineralogy 16 (2004) 135-141
The crystal structure of a "disordered" cancrinite
Locality: Cava Satom, Cameroon
_database_code_amcsd 0007028
12.6216 12.6216 5.1293 90 90 120 P6_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)
Na      2/3    1/3  .3664       .0309  .0233  .0233  .0462  .0117      0      0
Na1   .8762  .7555  .6885  .41  .0207  .0181  .0188  .0248  .0090  .0005 -.0008
Ca1   .8762  .7555  .6885  .09  .0207  .0181  .0188  .0248  .0090  .0005 -.0008
Na2   .8719  .7469   .733 .445  .0294  .0224  .0442  .0282  .0216  .0085  .0169
Ca2   .8719  .7469   .733 .055  .0294  .0224  .0442  .0282  .0216  .0085  .0169
Si   .91733 .58917 .25081      .00850 .00816 .00943 .00829 .00469 .00018 .00043
Al   .66291 .58775 .25000      .00865 .00838 .00936 .00859 .00473 .00024 .00028
O1   .79802 .59493  .3432       .0151  .0119  .0227  .0144  .0114  .0017  .0023
O2   .88515 .44900  .2757       .0196  .0221  .0125  .0271  .0108  .0026  .0012
O3   .95548 .64105  .9557       .0158  .0141  .0247  .0097  .0105  .0029  .0040
O4   .67937 .64914  .9394       .0157  .0169  .0236  .0113  .0136  .0013  .0049
CA        0      0   .830 .403   .052  .0148  .0148  .1254  .0074      0      0
OA        0      0   .830 .020   .052  .0148  .0148  .1254  .0074      0      0
SA        0      0   .830 .015   .052  .0148  .0148  .1254  .0074      0      0
OCA   .8812  .9422   .825 .418   .054  .0198  .0194  .1202  .0085  .0068  .0033
CB        0      0   .591 .310   .046  .0154  .0154  .1083  .0077      0      0
SB        0      0   .591 .020   .046  .0154  .0154  .1083  .0077      0      0
OB        0      0   .591 .015   .046  .0154  .0154  .1083  .0077      0      0
OCB   .8802  .9403   .598 .330   .049  .0154  .0254  .1029  .0087 -.0058  .0056
Wat   .6872  .3869   .814  1/3   .058  .0745  .0740  .0309  .0414  .0016 -.0026
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Sodalite
Download hom/sodalite.pdf
Ballirano P, Maras A
 
European Journal of Mineralogy 17 (2005) 805-812
Crystal chemical and structural characterization of an
unusual CO3-bearing sodalite-group mineral
Locality: Mt. Vesuvio, Italy
_database_code_amcsd 0007133
9.0352 9.0352 9.0352 90 90 90 P-43n
atom      x      y      z   occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
NaM3   .736   .736   .736   .19  .045  .0446  .0446  .0446  .0350  .0350  .0350
KM3    .736   .736   .736  .046  .045  .0446  .0446  .0446  .0350  .0350  .0350
CaM3   .736   .736   .736  .004  .045  .0446  .0446  .0446  .0350  .0350  .0350
NaM2  .6871  .6871  .6871   .47  .029  .0293  .0293  .0293  .0104  .0104  .0104
CaM2  .6871  .6871  .6871   .15  .029  .0293  .0293  .0293  .0104  .0104  .0104
KM1    .659   .659   .659  .129  .022  .0224  .0224  .0224  .0029  .0029  .0029
Si      .25     .5      0       .0094  .0081  .0101  .0101      0      0      0
Al      .25      0     .5       .0096  .0087  .0100  .0100      0      0      0
O1   .14265 .15237 .45424       .0200  .0177  .0183  .0240  .0096  .0016  .0004
S     .4605  .4605  .4605  .096  .036
Cl        0      0      0   .47  .060
C         0      0      0   .15  .060
O2a    .638   .518   .461 .0588   .05
O2b    .373   .408   .470  .032   .05
O2c    .379   .346   .435  .032   .05
O2d    .600   .600   .600  .128   .05
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Arsenolite
Download hom/arsenolite.pdf
Ballirano P, Maras A
Download zk/vol217/ZK217_177.pdf
Zeitschrift fur Kristallographie 217 (2002) 177-178
Refinement of the crystal structure of arsenolite, As2O3
Locality: starting material (realgar) from Monte Sughereto, Latium, Italy
_database_code_amcsd 0011094
11.07343 11.07343 11.07343 90 90 90 *Fd3m
.125 .125 .125
atom      x      y      z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
As   .77221 .77221 .77221  .0169  .0169  .0169  .0003  .0003  .0003
O     .9524   .125   .125   .027   .020   .020      0      0   .010
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Levyne-Na
 
Ballirano P, Cametti G
 
Mineralogical Magazine 77 (2013) 2887-2899
Crystal chemical and structural investigation of levyne-Na
Locality: Dunseverick, Antrim, Northern Ireland, UK
_database_code_amcsd 0019981
13.43259 13.43259 22.67725 90 90 120 R-3m
atom     x     y      z  occ  Uiso
Ca1      0     0  .1441  .76 .0808
Sr1      0     0  .1441  .02 .0808
Na1      0     0  .1441  .22 .0808
Na3      0     0  .3818  .38 .0808
K4       0     0  .4272  .22 .0808
Na4      0     0  .4272  .10 .0808
Na5      0     0     .5 .308 .0808
SiT1 .0004 .2306 .07061  .63 .0140
AlT1 .0004 .2306 .07061  .37 .0140
SiT2 .2396     0     .5  .76 .0104
AlT2 .2396     0     .5  .24 .0104
O1   .0364 .3510 .10556      .0152
O2   .0911 .1821  .0854       .012
O3   .1298 .2595 -.0925       .025
O4   .2634     0      0       .023
O5   .2201 .4402  .1805       .029
Wat1 .1600 .0800  .2150 .915 .0808
Wat2 .1369 .2737  .2646 .456 .0808
Wat3  .158 .0790  .3604 .276 .0808
Wat4 .1355 .2711  .3610 .471 .0808
Wat5 .1550 .1507  .3178 .335 .0808
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Chapmanite
Download hom/chapmanite.pdf
Ballirano P, Maras A, Marchetti F, Merlino S, Perchiazzi N
 
Powder Diffraction 13 (1998) 44-49
Rietveld refinement of chapmanite SbFe2Si2O8OH,
a TO dioctahderal kaolinite-like mineral
Locality: Tafone mine, Tucsany, Italy
_database_code_amcsd 0015317
5.225 8.997 7.780 90 101.71 90 Cm
atom    x     y     z Biso
Sb   .423    .5  .742    3
Fe   .505 .1681 .0053    3
Si   .298  .167  .361    3
O1   .297 .3337 -.127    3
O2   .296     0 -.130    3
O3   .223 .1705 .1469    3
OH   .692     0  .145    3
O4   .073  .251  .441    3
O5   .326     0  .439    3
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Fluormayenite
 
Costa U, Ballirano P
 
Powder Diffraction 15 (2000) 56-61
Improved powder X-ray data for the cement phase Ca12Al14O32F2 (C11A7f)
Locality: synthetic
_database_code_amcsd 0019955
11.96269 11.96269 11.96269 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)
Ca1   .1102      0    .25 .689 .0066
Ca2   .0654      0    .25 .311 .0066
Al1  .23096 .23096 .23096          0  .0069  .0069  .0069 -.0011 -.0011 -.0011
Al2    .375      0    .25          0   .006   .010   .010      0      0      0
O1    .1931  .2860  .1000          0  .0167   .007   .003  -.005   .000   .006
O2    .3148  .3148  .3148          0   .011   .011   .011   .002   .002   .002
F      .875      0    .25  .29  .030
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