American Mineralogist Crystal Structure Database

7 matching records for this search.

Gayite
 
Kampf A R, Colombo F, Gonzalez del Tanago J
Download am/vol95/AM95_386.pdf
American Mineralogist 95 (2010) 386-391
Gayite, a new dufrenite-group mineral from the Gigante granitic pegmatite,
Cordoba province, Argentina
Locality: Gigante granitic pegmatite, Punilla department,
Cordoba province, Argentina
_database_code_amcsd 0005031
25.975 5.1766 13.929 90 111.293 90 C2/c
atom      x      y     z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Na        0 -.1704   .25     .034   .028   .046   .024   .000   .007   .000
Fe1       0      0     0 .73 .029   .032   .030   .021  -.001   .008   .000
Al1       0      0     0 .27 .029   .032   .030   .021  -.001   .008   .000
Mn2     .25    .25     0 .93 .028   .028   .025   .022  -.002   .001  -.003
Fe2     .25    .25     0 .07 .028   .028   .025   .022  -.002   .001  -.003
Fe3   .1531 -.0199 .1095 .76 .026   .030   .027   .019   .001   .005  -.001
Al3   .1531 -.0199 .1095 .24 .026   .030   .027   .019   .001   .005  -.001
Fe4   .1397 -.2286 .3495 .87 .027   .033   .025   .020   .000   .006   .001
Al4   .1397 -.2286 .3495 .13 .027   .033   .025   .020   .000   .006   .001
P1    .2165  .2614 .3309     .030   .038   .023   .027   .002   .009   .000
P2    .0785  .2707 .3918     .034   .037   .034   .028   .002   .010   .002
O1    .0879  .0548 .3239     .038   .060   .025   .026   .010   .014  -.005
O2    .0775  .5317 .3391     .036   .050   .032   .022   .000   .009   .014
O3    .0227  .2278 .4024     .040   .036   .044   .033   .008   .003   .003
O4    .1241  .2720 .4986     .036   .025   .045   .030   .003   .001   .002
OH5   .1687  .2285 .0105     .036   .045   .034   .022   .008   .003   .000
O6    .2074  .0108 .3822     .036   .035   .040   .028  -.002   .006  -.005
O7    .1987 -.5111 .3821     .031   .043   .027   .021  -.004   .010  -.002
OH8   .1285 -.2671 .2010     .036   .043   .045   .018  -.002   .011   .007
O9    .1777  .2548 .2188     .036   .041   .037   .024   .005   .006  -.008
O10   .2241 -.2125 .1557     .034   .025   .040   .036   .006   .009   .003
OH11  .0753  .1330 .0676     .038   .033   .041   .036   .004   .007   .004
Wat12 .0232 -.2897 .1075     .036   .048   .037   .025  -.004   .014   .008
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Galliskiite
 
Kampf A R, Colombo F, Simmons W B, Falster A U, Nizamoff J W
Download am/vol95/AM95_392.pdf
American Mineralogist 95 (2010) 392-396
Galliskiite, Ca4Al2(PO4)2F8*5H2O, a new mineral from the
Gigante granitic pegmatite, Cordoba province, Argentina
Locality: Gigante granitic pegmatite, Punilla department,
Cordoba province, Argentina
_database_code_amcsd 0005032
6.1933 9.871 13.580 89.716 75.303 88.683 P-1
atom     x      y     z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ca1  .8349  .3009 .1467 .012   .018   .008   .009   .000  -.005   .001
Ca2  .9077  .2197 .6326 .010   .012   .009   .009   .001  -.003  -.001
Ca3  .9295  .4020 .3952 .010   .013   .009   .008   .000  -.003   .000
Ca4  .0304 -.1146 .1019 .009   .011   .008   .008   .000  -.003   .000
Al1  .8197  .4466 .8777 .006   .006   .006   .006  -.001  -.002   .001
Al2  .8282  .0602 .3749 .007   .008   .007   .006   .001  -.002   .000
P1   .7073 -.1122 .5813 .009   .009   .008   .009   .000  -.002   .001
P2   .2979  .3809 .9217 .008   .008   .008   .008   .000  -.002  -.001
O1   .4662 -.0688 .6330 .012   .011   .014   .013   .001  -.003  -.002
O2   .8644 -.0280 .6279 .010   .011   .010   .011   .001  -.003  -.001
O3   .7449 -.2654 .5967 .012   .011   .011   .015  -.002  -.005   .002
O4   .7656 -.0880 .4650 .010   .010   .009   .009  -.002  -.002   .001
O5   .2966  .2314 .8929 .012   .013   .008   .015   .000  -.004  -.002
O6   .5240  .4441 .8746 .012   .011   .013   .013  -.001  -.003   .001
O7   .1273  .4618 .8777 .009   .013   .009   .010   .001  -.004   .000
O8   .2315  .3934 .0397 .010   .012   .008   .010   .003  -.005  -.002
F1   .9084  .1977 .2859 .013   .017   .012   .011  -.002  -.005   .004
F2   .7928  .1869 .4755 .012   .016   .009   .011  -.001  -.003  -.002
F3   .9303  .0990 .0714 .017   .032   .011   .010   .006  -.006  -.001
F4   .8895  .5611 .7708 .012   .014   .013   .008   .001   .000   .004
F5   .8421  .4283 .5697 .014   .016   .013   .013  -.003  -.005   .001
F6   .8873  .2998 .7936 .012   .018   .009   .010   .003  -.004  -.003
F7   .8888 -.0656 .2728 .011   .014   .011   .010   .000  -.001  -.003
F8   .7862  .3252 .9815 .011   .015   .010   .009  -.001  -.004   .003
OW1  .5149  .2123 .6906 .017   .015   .018   .016  -.003  -.002  -.003
OW2  .2562  .3703 .5910 .020   .025   .016   .021   .005  -.010  -.007
OW3  .4542  .2256 .1561 .021   .022   .021   .020   .002  -.005   .002
OW4  .6224  .0450 .8914 .033   .017   .020   .065   .000  -.019  -.001
OW5  .6076  .4038 .3090 .018   .016   .014   .022  -.001  -.003   .000
H1A   .460   .212  .759 .050
H1B   .479   .130  .672 .050
H2A   .343   .328  .626 .050
H2B   .308   .354  .526 .050
H3A   .389   .233  .218 .050
H3B   .404   .274  .113 .050
H4A   .581  -.038  .887 .050
H4B   .503   .100  .903 .050
H5A   .554   .476  .287 .050
H5B   .490   .352  .340 .050
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Sanjuanite
Download hom/sanjuanite.pdf
Colombo F, Rius J, Pannunzio-Miner E V, Pedregosa J C, Cami G E, Carbonio R E
 
The Canadian Mineralogist 49 (2011) 835-847
Sanjuanite: Ab Initio crystal-structure solution from laboratory
powder-diffraction data, complemented by FTIR spectroscopy and DT-TG analyses
Locality: Pensylvanian slates belonging to Los Jejenes Formation at the
Pocito Department, San Juan Province, Argentina
_database_code_amcsd 0018459
13.9163 17.2422 6.1125 90 98.255 90 P2_1/n
atom        x      y     z Biso
Al1    -.1099  .1155 .5944  4.1
Al2     .1809  .0688 .2090  4.1
P       .1212  .0463 .6855  4.1
S       .1264  .3459 .4154  4.1
O1      .0730  .3868 .5733  4.1
O2      .1157  .3795 .1902  4.1
O3      .2312  .3494 .5123  4.1
O4      .0968  .2635 .3956  4.1
O5      .1090 -.0425 .6397  4.1
O6      .1781  .0826 .5138  4.1
O7      .0276  .1010 .6646  4.1
O8      .1748  .0547 .9249  4.1
OH9    -.1507  .0399 .7903  4.1
Wat10  -.0790  .1981 .4080  4.1
Wat11  -.2432  .1385 .4860  4.1
Wat12  -.1104  .1930 .8185  4.1
Wat13   .3208  .0524 .2296  4.1
Wat14   .0469  .0993 .1403  4.1
Wat15   .2149  .1798 .1860  4.1
Wat16  -.0173  .3300 .8685  8.5
Wat17  -.1028  .4512 .2361  8.5
Wat18   .3053  .1940 .8001  8.5
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Huemulite
Download hom/huemulite.pdf
Colombo F, Baggio R, Kampf A R
 
The Canadian Mineralogist 49 (2011) 849-864
The crystal structure of the elusive huemulite
Locality: synthetic
_database_code_amcsd 0018460
9.0425 11.3303 11.7353 105.222 97.377 100.791 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)
Na1         .5      .5      .5      .0408  .0358  .0473  .0275  .0037  .0042 -.0074
Na2     .28638  .40537  .70452      .0428  .0494  .0471  .0401  .0187  .0180  .0157
Na3         .5      .5       0      .0335  .0322  .0330  .0358  .0129  .0061  .0052
Mg1         .5       0      .5      .0263  .0246  .0293  .0312  .0145  .0109  .0093
V1      .83596  .74497  .75465     .02424  .0280 .01904  .0197 .00230 .00178 -.0024
V2      .18295  .84113  .79384     .02460  .0282  .0215  .0283 .00740 .01661 .00811
V3      .03857  .76811  .99849     .01924  .0222 .01564  .0230 .00847 .00724 .00569
V4      .81256  .94733  .97807     .01611 .01277 .01633 .02017 .00745 .00407 .00198
V5      .97200  .02589  .77571     .01931  .0228 .01971 .01627 .00785 .00428 .00284
O1       .7036  .63652  .66035      .0397  .0448  .0289  .0304  .0002 -.0027 -.0090
O2      .70196  .82217  .86861      .0236  .0183  .0224  .0274  .0086  .0015 -.0016
O3      .82631  .88103  .69383      .0252  .0278  .0248  .0182  .0061 -.0009 -.0018
O4       .0129  .72617  .69917      .0297  .0399  .0220  .0245  .0014  .0137  .0034
O5      .88645  .67025  .87581      .0239  .0284  .0159  .0264  .0059  .0075  .0016
O6      .83030  .06848  .89225      .0187  .0149  .0203  .0228  .0108  .0029  .0031
O7      .13044  .96593  .72610      .0248  .0305  .0244  .0230  .0095  .0130  .0060
O8      .18995  .75544  .90835      .0257  .0264  .0220  .0361  .0121  .0161  .0114
O9      .89011  .85207  .07876      .0169  .0162  .0159  .0199  .0074  .0052  .0024
O10     .94441  .11931  .69616      .0291  .0320  .0313  .0279  .0170  .0054  .0049
O11      .3220  .80842  .72721      .0374  .0408  .0341  .0466  .0135  .0297  .0143
O12     .06696  .67647  .07938      .0304  .0349  .0267  .0395  .0196  .0121  .0130
O13     .00329  .90959  .90089      .0170  .0165  .0162  .0190  .0064  .0052  .0029
O14     .30389  .99325  .93135      .0235  .0185  .0241  .0314  .0108  .0104  .0056
OW1      .5134  .37056   .6329      .0448  .0476  .0316  .0555  .0104  .0156  .0091
H1A       .521   .2968    .603       .054
H1B       .578    .397   .6976       .054
OW2      .3009   .5503   .5917      .0553  .0779  .0447  .0498  .0117  .0269  .0226
H2A       .219    .535    .539       .066
H2B       .306   .6200    .643       .066
OW3      .1431   .2115  .55469      .0437  .0503  .0529  .0312  .0153  .0161  .0096
H3A       .120    .193   .4791       .052
H3B       .064    .182    .579       .052
OW4      .0645   .4593   .7686      .0577  .0755  .0465  .0735  .0291  .0491  .0283
H4A       .023    .419    .812       .069
H4B       .052   .5324    .797       .069
OW5      .4297  .61851  .86666      .0368  .0343  .0350  .0459  .0164  .0109  .0111
H5A       .365    .661    .884       .044
H5B       .505    .674    .866       .044
OW6      .3393  .30988  .85774      .0349  .0308  .0312  .0464  .0184  .0130  .0026
H6A       .267    .264    .875       .042
H6B       .399    .262    .848       .042
OW7      .6897  .45484   .8785      .0415  .0301  .0318  .0704  .0255  .0144  .0074
H7A       .748   .5233    .883       .050
H7B       .747    .415    .907       .050
OW8      .6347  .14362  .64575      .0404  .0336  .0431  .0443  .0107  .0076  .0115
H8A       .605    .144   .7117       .048
H8B      .7297    .155    .645       .048
OW9      .3120   .0307  .57329      .0428  .0432  .0565  .0527  .0361  .0313  .0259
H9A       .267    .003    .623       .051
H9B       .274    .093    .576       .051
OW10     .4647  .13222  .41227      .0339  .0276  .0468  .0400  .0275  .0132  .0135
H10A      .523    .142    .364       .041
H10B     .3753    .123    .376       .041
OW11     .5428   .1401  .86016      .0401  .0244  .0518  .0507  .0294  .0047  .0060
H11A      .473    .090    .877       .048
H11B      .623    .132    .898       .048
Wat12A   .8775   .3473   .5385 .26   .102   .082   .146   .087   .031   .009   .059
Wat12B   .9643   .4380   .5229 .65   .090   .073   .087   .093  -.001  -.009   .031
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Huemulite
Download hom/huemulite.pdf
Colombo F, Baggio R, Kampf A R
 
The Canadian Mineralogist 49 (2011) 849-864
The crystal structure of the elusive huemulite
Locality: West Sunday mine, Utah, USA
_database_code_amcsd 0018461
9.0453 11.3337 11.7372 105.223 97.383 100.790 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)
Na1         .5      .5      .5      .0443  .0406  .0500  .0306  .0051  .0053 -.0071
Na2     .28622  .40535  .70437      .0469  .0549  .0493  .0452  .0209  .0194  .0167
Na3         .5      .5   .0000      .0372  .0374  .0357  .0397  .0152  .0068  .0059
Mg1         .5       0      .5      .0295  .0278  .0317  .0361  .0173  .0112  .0099
V1      .83583  .74493  .75461     .02819  .0332  .0215  .0246  .0044  .0030 -.0016
V2      .18297  .84107  .79391     .02845  .0334  .0245  .0327  .0099  .0179  .0091
V3      .03858  .76814  .99854     .02289  .0266  .0183  .0275  .0106  .0087 .00639
V4      .81258  .94732  .97815     .01973  .0175  .0188  .0244 .00930 .00524 .00257
V5      .97184  .02587  .77563     .02316  .0274  .0226  .0210  .0100  .0059 .00336
O1       .7034   .6365   .6604      .0437  .0480  .0323  .0350  .0018 -.0028 -.0100
O2       .7021  .82217  .86874      .0266  .0211  .0261  .0294  .0095  .0011 -.0017
O3       .8264  .88089  .69397      .0282  .0315  .0282  .0200  .0077 -.0013 -.0014
O4       .0134  .72612  .69966      .0329  .0441  .0245  .0288  .0038  .0146  .0054
O5       .8866  .67004  .87591      .0294  .0338  .0192  .0356  .0096  .0111  .0018
O6      .83062  .06803  .89220      .0220  .0185  .0229  .0270  .0121  .0039  .0035
O7       .1305  .96598  .72635      .0282  .0354  .0267  .0266  .0114  .0151  .0060
O8       .1896  .75564  .90795      .0296  .0306  .0230  .0418  .0135  .0161  .0103
O9      .89051  .85238  .07903      .0212  .0216  .0177  .0266  .0098  .0083  .0025
O10      .9448  .11888  .69620      .0327  .0358  .0352  .0311  .0187  .0059  .0050
O11      .3218   .8082   .7272      .0404  .0451  .0369  .0504  .0163  .0308  .0166
O12      .0670  .67687  .07928      .0332  .0390  .0285  .0411  .0208  .0113  .0121
O13     .00340  .90933  .90088      .0220  .0253  .0184  .0249  .0088  .0090  .0047
O14      .3036  .99306  .93123      .0261  .0229  .0268  .0337  .0134  .0120  .0068
OW1      .5128   .3704   .6328      .0488  .0563  .0342  .0595  .0143  .0189  .0127
H1A       .522   .2976    .600       .059
H1B       .573    .388    .699       .059
OW2      .3005   .5502   .5913      .0601   .087  .0466  .0550  .0138  .0302  .0260
H2A       .220    .537    .538       .072
H2B       .296    .619    .640       .072
OW3      .1424   .2114   .5546      .0483  .0559  .0532  .0393  .0167  .0189  .0097
H3A       .126    .189   .4786       .058
H3B       .065    .178    .577       .058
OW4      .0641   .4596   .7690      .0609  .0793  .0494   .078  .0321  .0518  .0301
H4A       .030    .420    .815       .073
H4B       .038    .528    .793       .073
OW5      .4289   .6185   .8664      .0406  .0381  .0381  .0505  .0179  .0128  .0111
H5A       .362    .659    .885       .049
H5B       .508    .674    .875       .049
OW6      .3394   .3095   .8575      .0382  .0361  .0321  .0508  .0194  .0144  .0041
H6A       .266    .264    .875       .046
H6B       .402    .263    .855       .046
OW7      .6896   .4551   .8786      .0459  .0347  .0350  .0758  .0270  .0149  .0085
H7A       .748   .5255    .889       .055
H7B       .748    .413    .903       .055
OW8      .6348   .1433   .6461      .0447  .0453  .0444  .0453  .0108  .0126  .0132
H8A       .626    .165   .7189       .054
H8B       .700    .154    .601       .054
OW9      .3124   .0304   .5729      .0468  .0465  .0582  .0595  .0377  .0315  .0263
H9A       .270    .005    .625       .056
H9B       .271    .091    .581       .056
OW10     .4644   .1323   .4127      .0373  .0302  .0500  .0437  .0278  .0136  .0135
H10A      .514    .135    .357       .045
H10B     .3733    .123    .378       .045
OW11     .5427   .1398   .8601      .0437  .0305  .0547  .0540  .0313  .0065  .0086
H11A      .481    .096    .890       .052
H11B      .625    .133    .898       .052
Wat12A   .8766   .3447   .5397 .29   .111   .090   .156   .100   .042   .015   .058
Wat12B    .965    .437   .5225 .57   .100   .085   .105   .115   .020   .011   .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)
 
Carlhintzeite
Download hom/carlhintzeite.pdf
Kampf A R, Colombo F, Gonzalez del Tanago J
 
Mineralogical Magazine 74 (2010) 623-632
Carlhintzeite, Ca2AlF7*H2O, from the Gigante granitic pegmatite,
Cordoba province, Argentina: description and crystal structure
Locality: Gigante pegmatite, Punilla Department, Cordoba Province, Argentina
_database_code_amcsd 0017800
9.4227 6.9670 9.2671 90.974 104.802 90.026 C-1
atom      x      y      z  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ca1  .58447 .99988 .35406 .0124  .0111  .0142  .0121  .0001  .0035  .0003
Ca2  .15860 .00061 .20308 .0132  .0111  .0156  .0125  .0004  .0024  .0009
Al1      .5      0      0 .0118  .0120  .0153  .0082 -.0004  .0028  .0001
Al2       0      0     .5 .0104  .0082  .0137  .0096  .0009  .0028  .0009
F1    .3830  .0293  .1242 .0234  .0166  .0413  .0136 -.0004  .0063  .0000
F2    .6195  .1794  .1143 .0192  .0187  .0180  .0187 -.0001  .0010 -.0020
F3    .6020  .8208  .1247 .0178  .0226  .0137  .0145  .0013  .0002  .0008
F4    .8251  .0012  .3695 .0219  .0099  .0401  .0147  .0016  .0015  .0015
F5    .5654  .6760  .3878 .0169  .0235  .0136  .0173 -.0009  .0119  .0015
F6    .5626  .3232  .3821 .0175  .0235  .0158  .0162 -.0005  .0106 -.0003
F7    .3564  .9934  .3963 .0186  .0111  .0323  .0122  .0001  .0024  .0018
OWat  .8927  .9824  .0868 .0224  .0161  .0332  .0176 -.0001  .0036  .0019
H1     .852   .091   .104  .050
H2     .845   .882   .108  .050
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Sarmientite
Download hom/sarmientite.pdf
Colombo F, Rius J, Vallcorba O, Pannunzio Miner E V
 
Mineralogical Magazine 78 (2014) 347-360
The crystal structure of sarmientite, Fe3+2(AsO4)(SO4)(OH)*5H2O,
solved ab initio from laboratory powder diffraction data
Locality: Santa Elena mine, San Juan Province, Argentina
_database_code_amcsd 0020437
6.5298 18.5228 9.6344 90 97.444 90 P2_1/n
atom       x      y      z Biso
Fe1   -.3967 -.1340 -.0333  1.9
Fe2   -.2094 -.0139 -.2911  1.9
As1   -.3099  .0023  .1983  1.9
S1    -.0333 -.2539 -.0509  1.9
O1    -.1000  .0352  .3070  2.2
O2    -.4923 -.0026  .2978  2.2
O3    -.2626 -.0729  .1238  2.2
O4    -.3641  .0660  .0697  2.2
Wat5  -.2020  .0653 -.4284  2.2
Wat6  -.2754 -.0807 -.4633  2.2
Wat7  -.1809  .0632 -.1449  2.2
OH8   -.2247 -.0952 -.1700  2.2
Wat9  -.5367 -.2070 -.1675  2.2
Wat10 -.5432 -.1927  .0983  2.2
O11   -.1802 -.2157  .0184  2.2
O12    .6215  .7846  .5549  2.2
O13   -.1201 -.3189 -.1277  2.2
O14    .9246  .2104  .1388  2.2
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