American Mineralogist Crystal Structure Database

4 matching records for this search.

Kircherite
 
Camara F, Bellatreccia F, Della Ventura G, Gunter M E, Sebastiani M, Cavallo A
 
American Mineralogist 97 (2012) 1494-1504
Kircherite, a new mineral of the cancrinite-sodalite group with a 36-layer
stacking sequence: Occurrence and crystal structure
Locality: Valle Biachella, Sacrofano community (Rome, Latium, Italy)
_database_code_amcsd 0019258
12.8770 12.8770 95.244 90 90 120 R32
atom       x       y       z   occ  Uiso
K1    .21935  .78244 .026734       .0316
Na1        0       0       0       .0620
Na2A       0  .49632       0  .616 .0281
Ca2B       0  .49632       0  .384 .0281
Ca3      2/3     1/3 .035016 1.009 .0283
Na4A   .4865  .97775 .055175  .771 .0383
Ca4B   .4865  .97775 .055175  .229 .0383
Na5A       0       0  .06575  .720  .051
Ca5B       0       0  .05922  .280  .051
Na6A   .3399   .1714  .08322  .644 .0451
K6B    .4289   .2173  .07941  .249 .0451
Na6B   .2762   .1439  .08739  .193 .0451
Na7A     1/3     2/3  .08904   .05 .0354
Ca7B     1/3     2/3  .08904   .95 .0354
Na8A     2/3     1/3  .10234  .452  .055
Na8B     2/3     1/3   .1135   .08  .055
Na8C     2/3     1/3  .12063   .68  .055
K9A    .1242   .2467  .10791  .236 .0544
Na9A   .1591   .3183  .11131  .630 .0544
Na9B   .2035   .4025  .11546  .203 .0544
Na1C       0       0  .13014   .53  .065
Na1D       0       0   .1396   .18  .065
Na1E       0       0  .14781   .50  .065
Na1F   .4939   .9927  .13870   .23  .016
K1G    .4686    .930  .13597  .411  .117
Na1G   .5223  1.0488   .1413  .367  .117
Na1K     1/3     2/3  .15719  .516  .044
K1L    .2474   .1287  .17056  .210 .0575
Na1L     1/3   .1667     1/6  .580 .0575
Si1   .25209       0       0       .0153
Si2   .92141  .58468 .028745       .0138
Si3   .25017 -.00038 .056598       .0153
Si4   .33285  .41471 .084480       .0165
Si5   .41674  .08479 .112132       .0176
Si6   .24895  .24891 .139370       .0180
Si7      1/3  .91414     1/6       .0189
Al1        0  .74422       0       .0150
Al2   .40708  .08485 .028747       .0155
Al3   .25229  .25532 .056187       .0151
Al4   .33367  .91923 .084777       .0184
Al5   .41672  .33299 .111910       .0179
Al6   .24778 -.00033 .139511       .0206
Al7   .58118  .91451     1/6       .0189
O1     .1218   .8853  .00247       .0257
O2     .3374   .0159  .01327       .0216
O3     .9782   .6459  .01398       .0265
O4     .7830   .5489  .03041       .0241
O5     .5400   .0786  .02974       .0273
O6     .0006   .6698  .04121       .0293
O7     .3192  -.0016  .04249       .0270
O8     .1132   .8975  .05576       .0284
O9     .2539   .1258  .05938       .0286
O10    .3256   .9846  .06921       .0336
O11    .3276   .3547  .06976       .0379
O12    .4495   .8905  .08400       .0354
O13    .2192   .4260  .08817       .0368
O14    .3496   .3371  .09634       .0413
O15    .3505   .0155  .09803       .0561
O16    .4517   .2220  .11056       .0530
O17    .5372   .0802  .11528       .0554
O18    .3335   .0189  .12516        .077
O19    .3153   .3075  .12514       .0612
O20    .1171   .2216  .13723       .0691
O21    .2402   .1267  .14278       .0774
O22    .6607   .9789  .15169        .086
O23    .3132   .9767  .15362        .088
O24    .4455   .8978  .16380        .093
Wat25      0       0  .02844   .94  .148
S1       1/3     2/3  .00351       .0270
O1SA     2/3     1/3  .01182       .0530
O1SB   .2093   .6027  .00861       .0464
S2       1/3     2/3  .05032       .0313
O2SA     1/3     2/3  .06586       .0553
O2SB   .2101   .6033  .04503       .0553
S3     .6293   .2982  .06703  .307 .0616
O3SA   .5436   .2755  .07575  .158 .0553
O3SB   .6010   .2033  .05750  .142 .0553
S4     -.005  -.0256  .09660  .300  .088
O4SA   .0632  -.0619   .1048  .169 .0553
O4SB  -.0589  -.1188   .0872  .135 .0553
S5     .3110   .6776  .12342  .229 .0473
O5SA    .394   .7873   .1326  .151 .0553
O5SB   .2726   .7297   .1137  .119 .0553
S6     .7000   .3668  .15261   .94  .060
O6SA   .7945   .3943   .1438  .307 .0553
O6SB   .7271   .4598   .1613  .158 .0553
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View JMOL 3-D Structure (permalink)
 
Whiteite
 
Capitelli F, Chita G, Cavallo A, Bellatreccia F, Ventura G
 
Zeitschrift fur Kristallographie 226 (2011) 731-738
Crystal structure of whiteite-(CaFeMg) from Crosscut Creek, Canada
Locality: Crosscut Creek, Yukon, Canada
_database_code_amcsd 0019137
14.8700 6.9785 9.9268 90 110.110 90 P2/a
atom      x       y      z   occ   Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3)  U(2,3)
Al1       0       0      0 1.024 .01103  .0108  .0098  .0125 -.0001  .0040  -.0005
Al2       0      .5      0 1.024 .01178  .0113  .0110  .0132  .0002  .0046   .0009
Mg1      .5       0     .5 1.005  .0145  .0143  .0137  .0145 -.0005  .0036  -.0032
Mg2     .25  .49738     .5 1.005  .0138  .0143  .0147  .0128      0  .0052       0
Ca      .25 -.02734      0   .95  .0214  .0209  .0120  .0235      0 -.0023       0
Na      .25 -.02734      0   .11  .0214  .0209  .0120  .0235      0 -.0023       0
Fe      .25  .47421      0  .900 .01315  .0137  .0128  .0132      0 .00495       0
P1   .18055  .26402 .18581       .01164  .0110  .0126  .0108 .00045 .00318 -.00027
O1   .27407   .2383 .15106        .0212  .0147  .0296  .0209  .0072  .0080   .0047
O2   .20254  .29773 .34383        .0193  .0259  .0187  .0122 -.0016  .0052  -.0017
O3   .12060  .08277 .13629        .0207  .0210  .0130  .0207 -.0023 -.0022   .0005
O4   .13388  .43949 .08982        .0141  .0115  .0134  .0168  .0002  .0040   .0022
P2   .07936  .74556 .80031       .01090  .0111  .0115  .0104 .00069 .00418  .00077
O5   .18806  .69414 .85668        .0166  .0125  .0203  .0167  .0026  .0047   .0020
O6   .04783  .77900 .63964        .0166  .0206  .0164  .0119  .0027  .0046   .0020
O7   .07267  .93135 .88071        .0164  .0210  .0126  .0200 -.0014  .0123  -.0023
O8   .02133  .58442 .83365        .0145  .0169  .0126  .0156 -.0016  .0076   .0005
O9   .02239  .75174 .08286  .997  .0134  .0150  .0113  .0144 -.0002  .0055       0
H9    .0020    .743  .1625  .997   .020
O10  .22535   .7224 .34460 1.022  .0291  .0399  .0275  .0247  .0111  .0173   .0063
H10a  .1738    .732  .2573 1.022   .044
H10b  .2562    .726   .276 1.022   .036
O11  .45119   .2146 .34572 1.009  .0328  .0395  .0216  .0236 -.0037 -.0069   .0003
H11a   .430    .299   .403 1.009   .049
H11b   .400    .207   .258 1.009   .090
O12  .63087  -.0041 .46625 1.035  .0313  .0243  .0288  .0442 -.0045  .0160  -.0129
H12a  .6839    .049   .537 1.035   .047
H12b   .651   -.106   .421 1.035   .067
O13  .39021   .5129 .50859 1.019  .0253  .0185  .0263  .0326  .0002  .0107   .0075
H13a  .4323    .467  .5950 1.019   .038
H13b   .416    .601   .459 1.019   .082
Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
 
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
Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
 
Sekaninaite
Download hom/sekaninaite.pdf
Radica F, Capitelli F, Bellatreccia F, Della Ventura G, Cavallo A,
Piccinini M, Hawthorne F C
 
Mineralogical Magazine 77 (2013) 485-498
Spectroscopy and X-ray structure refinement of sekaninaite
from Dolni Bory (Czech Republic)
Locality: Dolni Bory, Czech Republic
_database_code_amcsd 0020088
17.2340 9.8457 9.3463 90 90 90 Cccm
atom      x       y      z  occ   Uiso
Na        0       0      0 .203   .035
MgM  .33688       0    .25 .035 .01448
FeM  .33688       0    .25 .873 .01448
LiM  .33688       0    .25  .09 .01448
AlT4    .25     .25 .25011      .01421
AlT5 .04972  .30757      0      .01298
SiT1      0      .5    .25       .0136
SiT2 .18999  .07921      0      .01273
SiT3 .13471  .76594      0      .01270
O1   .24402  .89508 .35809       .0166
O2   .06074  .58523 .34885       .0165
O3   .82705  .69477 .35782       .0167
O4   .04328   .7543      0       .0210
O5   .11931  .18336      0       .0209
O6   .16213 -.07670      0       .0204
O7    .0580       0    .25  .03   .069
Wat8      0       0    .25  .62   .101
C8        0       0    .25  .03   .101
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
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Total number of retrieved datasets: 4
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