American Mineralogist Crystal Structure Database

12 matching records for this search.

Tumchaite
 
Subbotin V V, Merlino S, Pushcharovsky D Y, Pakhomovsky Y A, Ferro O,
Bogdanova A N, Voloshin A V, Sorokhtina N V, Zubkova N V
Download am/vol85/AM85_1516.pdf
American Mineralogist 85 (2000) 1516-1520
Tumchaite Na2(Zr,Sn)Si4O11.2H2O - a new mineral from carbonatites of the
Vuoriyarvi alkali-ultrabasic massif, Murmansk Region, Russia
_database_code_amcsd 0002590
9.144 8.818 7.537 90 113.22 90 P2_1/c
atom     x     y     z occ  Uiso
Zr       0    .5     0  .8 .0076
Sn       0    .5     0  .2 .0076
Si1  .1669 .1582 .1993     .0093
Si2  .3176 .4421 .4124     .0093
Na   .2051 .6884 .7109     .0243
O1   .3148 .2659 .3454     .0129
O2   .1164 .0346 .3187     .0126
O3   .0260 .2676 .0660     .0131
O4   .2471 .0543 .0791     .0131
O5   .2145 .5425 .2299     .0120
O6      .5     0     0     .0157
OW   .3709 .6921 .0371     .0317
H1    .498  .684  .075       .05
H2    .352  .602  .090       .05
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Bikitaite
Download hom/bikitaite.pdf
Ferro O, Quartieri S, Vezzalini G, Fois E, Gamba A, Tabacchi G
Download am/vol87/AM87_1415.pdf
American Mineralogist 87 (2002) 1415-1425
High-pressure behaviour of bikitaite: An integrated theoretical
and experimental approach
Sample at P = 0 GPa
_database_code_amcsd 0002910
8.6061 4.9573 7.5970 89.94 114.407 89.98 P1
atom     x     y     z
Li1  .2965 .3307 .1531
Li2  .6648 .8312 .8256
Si11 .0888 .8186 .0680
Si12 .0854 .8013 .4793
Si22 .8563 .2972 .4525
Si23 .6000 .3492 .0473
Al13 .3500 .8515 .9033
Al21 .8730 .3181 .8854
O11  .2427 .6978 .0316
O12  .0577 .1463 .0327
O13  .1365 .7520 .3005
O14  .0231 .5134 .5318
O15  .2414 .9245 .6560
O16  .4411 .1616 .0355
O21  .7020 .2022 .9372
O22  .9016 .6699 .9377
O23  .8065 .2515 .6370
O24  .9173 .0122 .4016
O25  .7047 .4224 .2675
O26  .5217 .6345 .9289
O17  .3951 .2779 .4472
O27  .5634 .7773 .5357
H11  .3186 .2389 .5052
H12  .4695 .1230 .4807
H21  .6439 .7638 .4792
H22  .4995 .6111 .5012
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Bikitaite
Download hom/bikitaite.pdf
Ferro O, Quartieri S, Vezzalini G, Fois E, Gamba A, Tabacchi G
Download am/vol87/AM87_1415.pdf
American Mineralogist 87 (2002) 1415-1425
High-pressure behaviour of bikitaite: An integrated theoretical
and experimental approach
Sample at P = 5.7 GPa
_database_code_amcsd 0002911
8.4932 4.7773 7.2443 90.804 114.794 89.442 P1
atom     x     y     z
Li1  .2982 .3199 .1751
Li2  .6555 .8082 .8008
Si11 .0875 .7992 .0723
Si12 .0857 .8384 .4885
Si22 .8606 .3324 .4513
Si23 .5999 .3498 .0468
Al13 .3500 .8508 .9069
Al21 .8677 .2957 .8793
O11  .2411 .6696 .0283
O12  .0674 .1378 .0398
O13  .1467 .7072 .3055
O14  .0085 .5745 .5688
O15  .2398 .9920 .6632
O16  .4527 .1430 .0773
O21  .6992 .1697 .9384
O22  .8984 .6534 .9328
O23  .8008 .2102 .6157
O24  .9351 .0710 .3586
O25  .7098 .4896 .2576
O26  .5004 .6064 .8938
O17  .4031 .2613 .4661
O27  .5533 .7582 .5047
H11  .3385 .2245 .5456
H12  .4725 .0907 .4828
H21  .6213 .7397 .4272
H22  .4943 .5769 .4872
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Bikitaite
Download hom/bikitaite.pdf
Ferro O, Quartieri S, Vezzalini G, Fois E, Gamba A, Tabacchi G
Download am/vol87/AM87_1415.pdf
American Mineralogist 87 (2002) 1415-1425
High-pressure behaviour of bikitaite: An integrated theoretical
and experimental approach
Sample at P = 9.0 GPa
_database_code_amcsd 0002912
8.231 4.7320 7.1187 92.80 114.99 88.37 P1
atom      x     y     z
Li1   .3002 .2841 .1852
Li2   .6485 .7621 .7962
Si11  .0922 .7631 .0853
Si12  .0941 .8915 .4982
Si22  .8544 .3888 .4499
Si23  .5971 .3143 .0367
Al13  .3505 .8238 .9189
Al21  .8657 .2567 .8645
O11   .2467 .6216 .0366
O12   .0772 .0977 .0223
O13   .1479 .7189 .3288
O14  -.0124 .6605 .5707
O15   .2489 .0130 .6971
O16   .4782 .0977 .1010
O21   .6994 .1341 .9276
O22   .8981 .6234 .9468
O23   .7991 .2295 .6001
O24   .9605 .1499 .3580
O25   .7013 .5081 .2480
O26   .4819 .5529 .8559
O17   .4054 .2867 .4742
O27   .5563 .7820 .4981
H11   .3607 .3042 .5785
H12   .4742 .1096 .5030
H21   .6182 .8049 .4166
H22   .4951 .6033 .4604
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Bikitaite
Download hom/bikitaite.pdf
Ferro O, Quartieri S, Vezzalini G, Ceriani C, Fois E, Gamba A, Cruciani G
Download am/vol89/AM89_94.pdf
American Mineralogist 89 (2004) 94-101
Dehydration dynamics of bikitaite: I. In situ synchrotron powder X-ray diffraction study
Sample: T = 30 C
_database_code_amcsd 0003188
8.6121 4.9579 7.6040 89.892 114.423 89.955 P1
atom      x     y     z Biso
Li1    .270  .395  .128  4.5
Li2    .659  .876  .831  4.5
Al13   .373  .896  .942  3.0
Al21   .880  .392  .910  3.0
Si11   .086  .871  .100  3.7
Si12  .1038 .8006 .5049  3.7
Si22   .885  .324  .491  3.7
Si23   .607  .385  .068  3.7
O11    .256  .787  .068  3.1
O12    .049  .184  .035  3.1
O13    .152  .848  .328  3.1
O14    .055  .496  .526  3.1
O15    .261  .933  .690  3.1
O16    .423  .228  .020  3.1
O21    .714  .240  .958  2.3
O22    .899  .732  .963  2.3
O23    .828  .345  .667  3.1
O24    .953  .020  .475  3.1
O25    .738  .432  .292  3.1
O26    .543  .678  .973  2.3
Wat17  .412  .366  .413  3.0
Wat27  .583  .849  .541  3.0
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Bikitaite
Download hom/bikitaite.pdf
Ferro O, Quartieri S, Vezzalini G, Ceriani C, Fois E, Gamba A, Cruciani G
Download am/vol89/AM89_94.pdf
American Mineralogist 89 (2004) 94-101
Dehydration dynamics of bikitaite: I. In situ synchrotron powder X-ray diffraction study
Sample: T = 280 C
_database_code_amcsd 0003189
8.6140 4.9721 7.5510 89.753 114.273 90.154 P1
atom      x     y     z occ Biso
Li1    .286  .374  .128      8.3
Li2    .674  .871  .843      8.3
Al13   .376  .876  .924      1.2
Al21   .883  .376  .896      1.2
Si11   .092  .863  .080      2.2
Si12  .1038 .8006 .5049      2.2
Si22   .886  .321  .487      2.2
Si23  .6120  .363  .059      2.2
O11    .251  .756  .038      2.1
O12    .063  .180  .021      2.1
O13    .134  .834  .309      2.4
O14    .051  .513  .561      2.4
O15    .252  .952  .684      2.4
O16    .437  .195  .018      2.1
O21    .728  .237  .960      2.9
O22    .912  .720  .943      2.9
O23    .806  .352  .646      2.4
O24    .961  .019  .497      2.4
O25    .715  .368  .292      2.4
O26    .554  .667  .980      2.9
Wat17  .398  .277  .411 .66  14.
Wat27  .542  .810  .558 .77  14.
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Bikitaite
Download hom/bikitaite.pdf
Ferro O, Quartieri S, Vezzalini G, Ceriani C, Fois E, Gamba A, Cruciani G
Download am/vol89/AM89_94.pdf
American Mineralogist 89 (2004) 94-101
Dehydration dynamics of bikitaite: I. In situ synchrotron powder X-ray diffraction study
Sample: T = 400
_database_code_amcsd 0003190
8.6269 4.9871 7.5718 89.765 114.097 90.160 P1
atom      x     y     z occ Biso
Li1    .314  .356  .160      7.1
Li2    .718  .844  .914      7.1
Al13   .384  .859  .933      3.6
Al21   .889  .336  .899      3.6
Si11   .102  .851  .078      5.6
Si12  .1038 .8006 .5049      5.6
Si22   .883  .292  .484      5.6
Si23   .617  .334  .074      5.6
O11    .246  .706  .020      4.6
O12    .085  .179  .029      4.6
O13    .124  .819  .301      5.0
O14    .024  .522  .538      5.0
O15    .266  .882  .695      5.0
O16    .436  .188  .014      4.6
O21    .723  .242  .951      4.2
O22    .936  .673  .952      4.2
O23    .813  .343  .650      5.0
O24    .946  .985  .489      5.0
O25    .736  .419  .296      5.0
O26    .550  .629  .975      4.2
Wat17  .526  .333  .416 .36  15.
Wat27  .633  .793  .625 .41  15.
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Bikitaite
Download hom/bikitaite.pdf
Ferro O, Quartieri S, Vezzalini G, Ceriani C, Fois E, Gamba A, Cruciani G
Download am/vol89/AM89_94.pdf
American Mineralogist 89 (2004) 94-101
Dehydration dynamics of bikitaite: I. In situ synchrotron powder X-ray diffraction study
Sample: T = 468
_database_code_amcsd 0003191
8.6274 4.9898 7.5729 89.737 114.072 90.169 P1
atom     x     y     z Biso
Li1   .320  .352  .167  7.2
Li2   .718  .859  .911  7.2
Al13  .377  .874  .931  4.1
Al21  .891  .357  .895  4.1
Si11  .105  .866  .090  4.5
Si12 .1038 .8006 .5049  4.5
Si22  .886  .313  .494  4.5
Si23  .618  .367  .068  4.5
O11   .264  .727  .055  4.3
O12   .083  .191  .039  4.3
O13   .135  .808  .310  5.0
O14   .044  .520  .559  5.0
O15   .267  .914  .687  5.0
O16   .445  .190  .018  4.3
O21   .738  .246  .972  4.6
O22   .938  .684  .972  4.6
O23   .795  .326  .644  5.0
O24   .954  .012  .479  5.0
O25   .721  .380  .299  5.0
O26   .559  .673  .997  4.6
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Katoite
Download hom/katoite.pdf
Ferro O, Galli E, Papp G, Quartieri S, Szakall S, Vezzalini G
 
European Journal of Mineralogy 15 (2003) 419-426
A new occurrence of katoite and re-examination of the hydrogrossular group
Sample: Unsplit-O model, T = 200 K
_database_code_amcsd 0006980
12.270 12.270 12.270 90 90 90 Ia-3d
atom      x      y      z  occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ca      1/8      0    1/4 .972 .0094  .0108  .0087  .0087      0      0  .0023
Al        0      0      0      .0137  .0137  .0137  .0137 -.0036 -.0036 -.0036
Si      3/8      0    1/4 .364 .0063  .0059  .0065  .0065      0      0      0
O    .03237 .04982 .64450      .0219  .0298  .0173  .0187 -.0072  .0120 -.0073
H      .075   .061   .655 .636
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Katoite
Download hom/katoite.pdf
Ferro O, Galli E, Papp G, Quartieri S, Szakall S, Vezzalini G
 
European Journal of Mineralogy 15 (2003) 419-426
A new occurrence of katoite and re-examination of the hydrogrossular group
Sample: Split-O model, T = 200 K
_database_code_amcsd 0006981
12.270 12.270 12.270 90 90 90 Ia-3d
atom     x     y     z  occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ca     1/8     0   1/4 .972 .0094  .0108  .0087  .0087      0      0  .0023
Al       0     0     0      .0136  .0136  .0136  .0136 -.0037 -.0037 -.0037
Si     3/8     0   1/4 .368 .0068  .0063  .0070  .0070      0      0      0
O1   .0439 .0436 .6528  .37 .0084
O2   .0250 .0537 .6393  .63 .0152
H     .081  .060  .656  .63 .0380
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Kukisvumite
Download hom/kukisvumite.pdf
Merlino S, Pasero M, Ferro O
Download zk/vol215/ZK215_352.pdf
Zeitschrift fur Kristallographie 215 (2000) 352-356
The crystal structure of kukisvumite, Na6ZnTi4(Si2O6)4O4*4H2O
Locality: Kukisvumtschorr deposit, Khibiny alkaline massif, Kola peninsula, Russia
_database_code_amcsd 0011086
29.029 8.595 5.209 90 90 90 Pccn
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  .5840 .0615  .623      .015   .020   .012   .013  -.001  -.001  -.001
Na2  .7500  .591  .786  .5  .031   .030   .042   .022  -.009   .007  -.001
Zn     .75   .25  .791  .5  .024   .024   .025   .022   .001      0      0
Ti   .5830 .8450 .1322     .0055   .008   .005   .004   .001   .000   .001
Si1  .4863 .8418 .7887      .005   .004   .005   .006   .002   .000  -.001
Si2  .6557 .1484 .0514      .007   .006   .007   .008   .001  -.001   .000
O1   .4652  .763  .050      .009   .004   .011   .010  -.003  -.003   .003
O2   .4641  .011  .754      .007   .008   .003   .012   .002  -.005  -.003
O3   .6223  .000  .006      .009   .006   .013   .009   .001   .005   .001
O4   .7917  .108  .539      .022   .007   .009   .050   .006   .002  -.001
O5   .8879  .820  .939      .006   .004   .007   .006  -.002   .000   .001
O6   .6398  .274  .825      .011   .010   .009   .014   .002   .001   .009
O7   .5420  .833  .793      .007   .006   .006   .008  -.005   .002  -.001
Ow1  .7922  .851  .934  .5  .016   .004   .023   .021  -.007   .003   .008
Ow2  .7965  .849  .128  .5  .025   .009   .039   .027   .003  -.005  -.017
H1    .792   .93   .80  .5   .05
H2    .825   .81   .94  .5   .05
H3    .797   .95   .24  .5   .05
H4    .828   .85   .04  .5   .05
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Chabazite-Mg
 
Passaglia E, Ferro O
 
Studies in Surface Science and Catalysis 142 (2002) 1729-1735
Occurrence and crystal structure of magnesian chabazite
Locality: Mont Semiol, Montbrison, France
_database_code_amcsd 0017697
9.382 9.382 9.382 94.57 94.57 94.57 R-3m
atom      x      y      z  occ  Uiso
Ca1   .2329  .2329  .2329 .220 .0394
K1    .2329  .2329  .2329 .170 .0394
Ca2   .5850  .5850  .2366 .068  .043
K2    .5850  .5850  .2366 .052  .043
Mg    .4028  .4028  .4028  .33  .046
Si   .10548 .33341 .87760 .724 .0121
Al   .10548 .33341 .87760 .276 .0121
O1    .2602  .7398      0      .0362
O2    .1520  .8480     .5      .0265
O3    .2545  .2545  .8948      .0314
O4    .0279  .0279  .3254      .0294
Wat1     .5     .5      0       .112
Wat2   .221   .321   .515  .54  .162
Wat3     .5   .624   .376  .37   .14
Wat4   .543   .543   .295  .14   .11
Wat5   .268   .268   .268  .34   .13
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Total number of retrieved datasets: 12
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