American Mineralogist Crystal Structure Database

11 matching records for this search.

Bikitaite
Download hom/bikitaite.pdf
Kocman V, Gait R I, Rucklidge J C
Download am/vol59/AM59_71.pdf
American Mineralogist 59 (1974) 71-78
The crystal structure of bikitaite, Li[AlSi2O6].H2O
_database_code_amcsd 0000394
8.613 4.962 7.600 90 114.45 90 P2_1
atom      x      y       z occ B(1,1) B(2,2) B(3,3)  B(1,2)  B(1,3)  B(2,3)
Si1  .10364 .86463  .09564  .5 .00263 .00608 .00410  .00014  .00188  .00013
Al1  .10364 .86463  .09564  .5 .00263 .00608 .00410  .00014  .00188  .00013
Si2  .10577 .79994  .50849     .00254 .00715 .00358 -.00036  .00091 -.00026
Si3  .38093 .87443  .93740  .5 .00175 .00661 .00359 -.00002  .00086  .00009
Al3  .38093 .87443  .93740  .5 .00175 .00661 .00359 -.00002  .00086  .00009
Li   .30409 .36460  .13412     .00669 .00956 .01345 -.00045  .00493  .00013
O1   .26662 .74342  .05003     .00339 .00786 .00822  .00013  .00217  .00045
O2   .07630 .69636 -.03344     .00462 .00957 .00990  .00173  .00388  .00109
O3   .15760 .82766  .33043     .00656 .02274 .00455  .00027  .00293  .00157
O4   .05937 .48682  .52684     .00465 .00709 .01551 -.00046  .00430  .00125
O5   .26459 .89502  .69869     .00485 .01770 .00329 -.00171 -.00050 -.00020
O6   .55519 .68878  .97699     .00341 .01027 .00726 -.00007  .00306 -.00012
Wat7 .40402 .32446  .42167     .00883 .02326 .01777 -.00022  .00385  .00211
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View JMOL 3-D Structure (permalink)
 
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
Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
 
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.
Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
 
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.
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
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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View JMOL 3-D Structure (permalink)
 
Bikitaite
Download hom/bikitaite.pdf
Comodi P, Gatta G D, Zanazzi P F
 
European Journal of Mineralogy 15 (2003) 247-255
Effects of pressure on the structure of bikitaite
P = 0.0001 GPa
Locality: King's Mountain, North Carolina, USA
_database_code_amcsd 0006964
8.607 4.956 7.601 89.98 114.38 89.98 P1
atom     x     y     z  Uiso
Li1   .314  .366  .153  .016
Li2   .703  .868  .880  .019
Si1  .1070 .8641 .0995 .0079
Si2  .1038 .8006 .5049 .0089
Si22 .8924 .2995 .4881 .0094
Si23 .6196 .3747 .0650 .0079
Al13 .3805 .8743 .9393 .0086
Al21 .9004 .3643 .9089 .0091
O11  .2644 .7400 .0614 .0121
O12  .0863 .1822 .0454 .0128
O13  .1580 .8280 .3279 .0184
O14  .0542 .4865 .5145 .0196
O15  .2606 .8916 .6949 .0182
O16  .4523 .1969 .0305 .0120
O17  .4100  .325 .4377 .0290
O21  .7311 .2426 .9592 .0117
O22  .9315 .7054 .9751 .0132
O23  .8408 .3284 .6648 .0214
O24  .9368 .9863 .4637 .0188
O25  .7321 .3933 .2968 .0176
O26  .5621 .6772 .9838 .0121
O27  .6008  .822 .5924  .031
H11   .352   .30   .48   .01
H12    .46   .19   .46   .04
H21    .69   .85   .53   .14
H22    .54   .72   .56   .04
Download AMC data (View Text File)
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Bikitaite
Download hom/bikitaite.pdf
Comodi P, Gatta G D, Zanazzi P F
 
European Journal of Mineralogy 15 (2003) 247-255
Effects of pressure on the structure of bikitaite
P = 3.2 GPa
Locality: King's Mountain, North Carolina, USA
_database_code_amcsd 0006965
8.543 4.852 7.377 89.65 114.74 90.34 P1
atom      x     y     z Uiso
Li1    .297  .341  .167 .011
Li2    .677  .843  .833 .010
Si1    .104  .834  .105 .008
Si2   .1038 .8006 .5049 .012
Si22   .892  .296  .496 .011
Si23   .616  .368  .073 .009
Al13   .377  .867  .942 .010
Al21   .898  .334  .934 .009
O11    .259  .713  .056 .014
O12    .089  .165  .074 .013
O13    .157  .746  .327 .017
O14    .056  .514  .581 .011
O15    .263  .947  .703 .013
O16    .460  .178  .074 .011
Wat17  .414  .286  .473 .022
O21    .720  .217  .966 .015
O22    .923  .680  .967 .009
O23    .831  .249  .670 .009
O24    .935  .011  .420 .023
O25    .739  .433  .306 .012
O26    .543  .654  .952 .009
Wat27  .585  .779  .551 .031
Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
 
Bikitaite
Download hom/bikitaite.pdf
Comodi P, Gatta G D, Zanazzi P F
 
European Journal of Mineralogy 15 (2003) 247-255
Effects of pressure on the structure of bikitaite
P = 0.0001 GPa after decompression
Locality: King's Mountain, North Carolina, USA
_database_code_amcsd 0006966
8.605 4.957 7.606 89.93 114.40 89.85 P1
atom     x     y     z  Uiso
Li1   .312  .363  .151  .022
Li2   .702  .866  .878  .022
Si1  .1072 .8644 .0990 .0093
Si2  .1038 .8006 .5049 .0099
Si22 .8925 .2991 .4880 .0101
Si23 .6197 .3747 .0648 .0084
Al13 .3808 .8745 .9391 .0084
Al21 .9003 .3647 .9086 .0095
O11  .2643 .7405 .0616 .0133
O12  .0864 .1824 .0456 .0132
O13  .1599 .8286 .3287 .0196
O14  .0553 .4858 .5144 .0212
O15  .2612 .8924 .6956 .0196
O16  .4524 .1965 .0311 .0127
O17  .4089  .325 .4391  .031
O21  .7316 .2447 .9588 .0122
O22  .9313 .7050 .9758 .0144
O23  .8422 .3278 .6656 .0208
O24  .9370 .9879 .4644 .0202
O25  .7317 .3925 .2968 .0187
O26  .5617 .6785 .9847 .0129
O27  .6010  .822 .5921  .032
H11    .33   .34   .48   .04
H12    .45   .23   .45   .01
H21    .68   .80   .56   .13
H22    .56   .65   .74   .08
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Total number of retrieved datasets: 11
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