American Mineralogist Crystal Structure Database

4 matching records for this search.

Fluor-tsilaisite
 
Ertl A, Kolitsch U, Dyar M D, Hughes J M, Rossman G R, Pieczka A, Henry D J,
Pezzotta F, Prowatke S, Lengauer C L, Korner W, Brandstatter F,
Francis C A, Prem M, Tillmanns E
 
American Mineralogist 97 (2012) 1402-1416
Limitations of Fe2+ and Mn2+ site occupancy in tourmaline:
Evidence from Fe2+ - and Mn2+ -rich tourmaline
Note: sample mnelb3
Locality: Elba, Italy
_database_code_amcsd 0019253
15.951 15.951 7.1380 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)
NaX        0       0  .7714 .666  .0239  .0256  .0256  .0207  .0128       0       0
AlY   .87608 .938042 .37180 .589 .00935 .00883 .00629 .01377 .00441 -.00279 -.00139
MnY   .87608 .938042 .37180 .411 .00935 .00883 .00629 .01377 .00441 -.00279 -.00139
AlZ   .70199  .73879 .38810      .00538 .00527 .00590 .00480 .00267  .00000  .00059
SiT  .808130 .810048 .99836      .00493 .00487 .00465 .00527 .00237 -.00031 -.00050
B     .89002  .78004  .5443       .0065  .0068  .0049  .0070  .0025  .00048   .0010
F1         0       0  .2193  .57  .0447  .0613  .0613  .0116  .0306       0       0
O1         0       0  .2193  .43  .0447  .0613  .0613  .0116  .0306       0       0
O2    .93850  .87701 .51363       .0180  .0281  .0054  .0130  .0027  .00048   .0010
O3    .73198  .86599 .48923      .01179  .0224  .0107  .0062  .0112  -.0003 -.00016
O4    .90643  .81286 .92846      .00911  .0067  .0136  .0093  .0068 -.00085  -.0017
O5    .81260  .90630 .90659      .00951  .0148  .0071  .0092  .0074   .0009  .00047
O6    .80269  .81281 .22330      .00814  .0086  .0097  .0051  .0038   .0003  -.0001
O7    .71441  .71398 .91919      .00719  .0064  .0065  .0068  .0019  -.0002  -.0011
O8    .79000  .72921 .55792      .00849  .0057  .0111  .0092  .0046   .0009   .0033
H3      .737   .8687   .609        .029
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View JMOL 3-D Structure (permalink)
 
Fluor-tsilaisite
 
Ertl A, Kolitsch U, Dyar M D, Hughes J M, Rossman G R, Pieczka A, Henry D J,
Pezzotta F, Prowatke S, Lengauer C L, Korner W, Brandstatter F,
Francis C A, Prem M, Tillmanns E
 
American Mineralogist 97 (2012) 1402-1416
Limitations of Fe2+ and Mn2+ site occupancy in tourmaline:
Evidence from Fe2+ - and Mn2+ -rich tourmaline
Note: sample mnelb3h, heated in air at 750 C for 30 h
Locality: Elba, Italy
_database_code_amcsd 0019254
15.852 15.852 7.1480 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)
NaX        0       0  .7750 .674  .0237  .0256  .0256  .0200  .0128       0       0
AlY   .87639 .938193 .36624 .706 .00820 .01002 .00635 .00944 .00501 -.00381 -.00190
MnY   .87639 .938193 .36624 .294 .00820 .01002 .00635 .00944 .00501 -.00381 -.00190
AlZ  .703240 .741089 .39232 .935 .00685 .00522 .00904 .00591 .00328  .00004  .00164
MnZ  .703240 .741089 .39232 .065 .00685 .00522 .00904 .00591 .00328  .00004  .00164
SiT  .808599 .810065 .99750      .00519 .00499 .00479 .00579 .00245 -.00049 -.00053
B     .89009  .78019 .54634      .00656  .0058  .0059  .0079 .00297 -.00006  -.0001
F1         0       0  .2363  .14  .0150  .0156  .0156  .0138  .0078       0       0
O1         0       0  .2363  .86  .0150  .0156  .0156  .0138  .0078       0       0
O2    .93913  .87826 .51095      .01150  .0137  .0059  .0124 .00294  .00018   .0004
O3    .74050  .87025 .48491      .01167  .0192  .0099  .0090 .00958  -.0006 -.00029
O4    .90523  .81046 .92215      .00977  .0070  .0145  .0103 .00724 -.00063  -.0013
O5    .81440  .90720 .90727      .01069  .0171  .0080  .0101 .00855   .0023  .00113
O6    .80696  .81508 .22339      .00814  .0081  .0090  .0059 .00321 -.00034 -.00006
O7    .71347  .71388 .92205      .00740  .0066  .0066  .0071 .00178 -.00071 -.00129
O8    .79026  .72920 .56059      .00797  .0052  .0091  .0096 .00357  .00068  .00274
H3      .751   .8757   .622        .085
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View JMOL 3-D Structure (permalink)
 
Fluor-tsilaisite
 
Bosi F, Andreozzi G B, Agrosi G, Scandale E
 
Mineralogical Magazine 79 (2015) 89-101
Fluor-tsilaisite, NaMn3Al6(Si6O18)(BO3)3(OH)3F, a new tourmaline
from San Piero in Campo (Elba, Italy) and new data on tsilaisitic
tourmaline from the holotype specimen locality
Note: Sample CB1b, Standard SREF
Locality: Grotta d'Oggi, San Piero in Campo, Elba Island, Italy
_database_code_amcsd 0020623
15.9619 15.9691 7.1426 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)
Na        0      0  .2257  .614  .0269  .0288  .0288  .0233  .0144       0       0
Ca        0      0  .2257 .0143  .0269  .0288  .0288  .0233  .0144       0       0
K         0      0  .2257 .0046  .0269  .0288  .0288  .0233  .0144       0       0
MnY  .12432 .06216 .62286  .481 .01170  .0101 .00757  .0182 .00507 -.00314 -.00157
AlY  .12432 .06216 .62286  .395 .01170  .0101 .00757  .0182 .00507 -.00314 -.00157
LiY  .12432 .06216 .62286 .1019 .01170  .0101 .00757  .0182 .00507 -.00314 -.00157
TiY  .12432 .06216 .62286 .0137 .01170  .0101 .00757  .0182 .00507 -.00314 -.00157
FeY  .12432 .06216 .62286  .009 .01170  .0101 .00757  .0182 .00507 -.00314 -.00157
AlZ  .29816 .26145 .61080  .969 .00625 .00643 .00703  .0054 .00342 -.00012  .00056
MnZ  .29816 .26145 .61080  .031 .00625 .00643 .00703  .0054 .00342 -.00012  .00056
B    .11012 .22025  .4541        .0068  .0074  .0057  .0067  .0029   .0000   .0000
Si   .19185 .18988      0 .9895 .00476 .00481 .00467 .00484 .00239 -.00017 -.00042
AlT  .19185 .18988      0 .0105 .00476 .00481 .00467 .00484 .00239 -.00017 -.00042
O1        0      0  .7780 .6537  .0441   .062   .062  .0083  .0310       0       0
F1        0      0  .7780 .3463  .0441   .062   .062  .0083  .0310       0       0
O2   .06157 .12315  .4827        .0197  .0318  .0054  .0131  .0027   .0003   .0005
O3   .26844 .13422  .5098        .0121  .0249  .0111  .0050  .0124  -.0003  -.0002
H3     .260  .1301   .394         .018
O4   .09366 .18732  .0693        .0084  .0065  .0129  .0081  .0064  -.0007  -.0013
O5   .18713 .09357  .0913        .0088  .0140  .0068  .0080  .0070   .0017   .0008
O6   .19745 .18725 .77534       .00769  .0084  .0096  .0044  .0040   .0002  -.0004
O7   .28527 .28572 .07944       .00650  .0059  .0060  .0056  .0015  -.0001  -.0007
O8   .20999 .27099 .44110       .00816  .0058  .0116  .0082  .0052   .0007   .0029
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Fluor-tsilaisite
 
Bosi F, Andreozzi G B, Agrosi G, Scandale E
 
Mineralogical Magazine 79 (2015) 89-101
Fluor-tsilaisite, NaMn3Al6(Si6O18)(BO3)3(OH)3F, a new tourmaline
from San Piero in Campo (Elba, Italy) and new data on tsilaisitic
tourmaline from the holotype specimen locality
Note: Sample CB1b, Split-site SREF
Locality: Grotta d'Oggi, San Piero in Campo, Elba Island, Italy
_database_code_amcsd 0020624
15.9619 15.9691 7.1426 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)
Na        0      0  .2263  .609  .0260  .0277  .0277  .0228  .0138       0       0
Ca        0      0  .2263 .0143  .0260  .0277  .0277  .0228  .0138       0       0
K         0      0  .2263 .0046  .0260  .0277  .0277  .0228  .0138       0       0
MnY  .12435 .06218 .62283  .489 .01182  .0101 .00761  .0185 .00507 -.00315 -.00157
AlY  .12435 .06218 .62283  .387 .01182  .0101 .00761  .0185 .00507 -.00315 -.00157
LiY  .12435 .06218 .62283 .1019 .01182  .0101 .00761  .0185 .00507 -.00315 -.00157
TiY  .12435 .06218 .62283 .0137 .01182  .0101 .00761  .0185 .00507 -.00315 -.00157
FeY  .12435 .06218 .62283  .009 .01182  .0101 .00761  .0185 .00507 -.00315 -.00157
AlZ  .29815 .26144 .61085  .969 .00620 .00649 .00700  .0052 .00346 -.00014  .00057
MnZ  .29815 .26144 .61085  .031 .00620 .00649 .00700  .0052 .00346 -.00014  .00057
B    .11012 .22024  .4541        .0070  .0077  .0066  .0063  .0033   .0000   .0000
Si   .19184 .18987      0 .9895 .00467 .00463 .00463 .00482 .00236 -.00012 -.00042
AlT  .19184 .18987      0 .0105 .00467 .00463 .00463 .00482 .00236 -.00012 -.00042
O1    .0199 .00995  .7783 .2179  .0121
F1    .0199 .00995  .7783 .1154  .0121
O2   .07173 .12324  .4828    .5  .0086
O3   .26855 .13428  .5098        .0119  .0244  .0110  .0048  .0122  -.0003  -.0001
H3     .259  .1295   .400         .018
O4   .09362 .18724  .0692        .0083  .0064  .0123  .0082  .0062  -.0006  -.0013
O5   .18711 .09355  .0913        .0087  .0141  .0066  .0079  .0070   .0012   .0006
O6   .19741 .18721 .77540       .00763  .0083  .0097  .0041  .0039  -.0001  -.0006
O7   .28525 .28572 .07943       .00643  .0057  .0058  .0057  .0014  -.0001  -.0008
O8   .20996 .27103 .44122       .00808  .0057  .0117  .0079  .0052   .0008   .0028
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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