American Mineralogist Crystal Structure Database

7 matching records for this search.

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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View JMOL 3-D Structure (permalink)
 
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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View JMOL 3-D Structure (permalink)
 
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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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
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
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
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
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
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
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
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
Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
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Total number of retrieved datasets: 7
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