American Mineralogist Crystal Structure Database

3 matching records for this search.

Bavenite
Download hom/bavenite.pdf
Armstrong J A, Friis H, Lieb A, Finch A A, Weller M T
 
American Mineralogist 95 (2010) 519-526
Combined single-crystal X-ray and neutron powder diffraction structure analysis
exemplified through full structure determinations of
framework and layer beryllate minerals
Locality: Ilimaussaq alkaline complex, South Greenland
_database_code_amcsd 0005039
23.1965 4.9741 19.4221 90 90 90 Cmcm
atom       x      y      z occ   Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ca1   .08223 .25504 .15368     .01166  .0130  .0167  .0053 -.0029 -.0004  .0007
Si1T1      0  .7747    .25      .0091  .0079  .0123  .0071      0      0      0
Be1T2  .1243  .8228    .25     .01079   .009   .017   .007   .001      0      0
BeT3       0  .7213 .10447  .5 .00593  .0053  .0102  .0023      0      0  .0003
AlT3       0  .7213 .10447 .25 .00593  .0053  .0102  .0023      0      0  .0003
SiT3       0  .7213 .10447 .25 .00593  .0053  .0102  .0023      0      0  .0003
SiT4  .09395     .5      0 .75 .01079  .0133  .0137  .0054      0      0  .0000
AlT4  .09395     .5      0 .25 .01079  .0133  .0137  .0054      0      0  .0000
Si3T5 .17045      0      0     .00943  .0092  .0146  .0045      0      0 -.0014
Si4T6 .21395  .8627 .14410      .0084  .0092  .0123  .0037 -.0002  .0003  .0002
O1         0  .5747 .18217     .00885  .0079  .0134  .0052      0      0 -.0010
O2         0  .0360 .10927     .01115  .0110  .0139  .0085      0      0  .0015
O3    .05783  .5960 .06927     .01223  .0120  .0162  .0085  .0016  .0030 -.0007
O4    .13132  .2378 .03387     .01215  .0132  .0163  .0070  .0016  .0008 -.0034
O5    .20858  .8728 .06086     .01121  .0123  .0163  .0051  .0000 -.0002  .0004
O6    .23302  .5612 .16604     .01084  .0117  .0130  .0079 -.0001  .0022  .0010
O7    .15420  .9410 .18013     .01063  .0124  .0136  .0058  .0013  .0026  .0019
O8    .12101  .4963    .25      .0099  .0094   .013  .0077  .0000      0      0
O9    .05790  .9578    .25     .00924  .0095  .0141  .0041  .0004      0      0
H1     .3413   .938    .25       .019
H2         0   .099   .069  .5   .028
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Leifite
Download hom/leifite.pdf
Armstrong J A, Friis H, Lieb A, Finch A A, Weller M T
 
American Mineralogist 95 (2010) 519-526
Combined single-crystal X-ray and neutron powder diffraction structure analysis
exemplified through full structure determinations of
framework and layer beryllate minerals
Locality: Vesle Aroya, Langesundsfjord, Norway
_database_code_amcsd 0005040
14.3446 14.3446 4.8455 90 90 120 P-3m1
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    .7508  .2492  .2019       .01395   .014   .014   .013    .006   .0009  -.0009
K1Na2      0      0      0 .4600 .00953   .013   .013   .003    .006       0       0
Na2O6      0      0     .5 .2000   .030   .013   .013   .003    .006       0       0
Si1A       0 .21634     .5 .5567 .01242   .009  .0058  .0137  -.0032  -.0015  -.0008
Al1B       0 .21634     .5 .4433 .01242   .009  .0058  .0137  -.0032  -.0015  -.0008
Si2        0 .34374      0       .01243   .011  .0108  .0154   .0056  -.0002  -.0001
Si3   .44746 .55254 .30616       .00777  .0083  .0083  .0079   .0051  -.0000   .0000
Be1      1/3    2/3  .3685       .01543   .020   .020   .006   .0100       0       0
O1    .10022 .89978  .3903       .02148   .018   .018   .012   -.004  -.0009   .0009
O2    .30901 .26112  .2495       .01413   .017   .008   .017   .0055   .0067   .0044
O3    .35849 .45743  .1026       .00813   .009   .009   .012    .009   .0010  -.0016
O4        .5      0     .5       .01099   .014   .013   .006    .007   .0024    .005
O5    .39389 .60612  .4835       .00718   .008   .008   .007    .005   .0022  -.0022
F        1/3    2/3  .0397       .01015   .012   .012   .008   .0057       0       0
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Nabesite
 
Armstrong J A, Friis H, Lieb A, Finch A A, Weller M T
 
American Mineralogist 95 (2010) 519-526
Combined single-crystal X-ray and neutron powder diffraction structure analysis
exemplified through full structure determinations of
framework and layer beryllate minerals
Locality: Kvanefjeld, Ilimaussaq alkaline complex, South Greenland
_database_code_amcsd 0005041
9.7128 10.1352 11.8919 90 90 90 P2_12_12_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   .02305  .19135  .81969       .0124  .0102  .0127  .0144   .0019  -.0014  -.0038
Na2   .36397  .25068  .74081      .01603  .0176  .0124  .0180   .0005  -.0016   .0009
Be1    .2419   .2631  .25732      .00681  .0061  .0074  .0070   .0010  -.0018   .0005
Si1   .07752  .35377  .06705      .00566  .0055  .0049  .0066  .00038  -.0005   .0004
Si2   .40206  .36422  .44736      .00574  .0058  .0047  .0067 -.00062 -.00018  -.0004
Si3   .28527  .14862  .03361      .00577  .0056  .0049  .0067  .00025  -.0001 -.00018
Si4   .20469  .14805  .48034      .00574  .0057  .0048  .0067 -.00071  -.0002  .00014
O1    .11450  .34306  .19655      .00713  .0069  .0066  .0079   .0014  -.0012  -.0004
O2    .11804  .49547  .01178      .00873  .0110  .0059  .0093   .0001  -.0001   .0008
O3   -.08718  .33002  .05361      .00797  .0071  .0090  .0079  -.0001   .0000   .0008
O4    .15832  .24267 -.00831      .00693  .0080  .0060  .0068   .0003  -.0005  -.0002
O5    .34677  .36601  .32177      .00707  .0077  .0051  .0084  -.0009  -.0010   .0001
O6    .56498  .32750  .44779      .00871  .0072  .0104  .0086   .0002  -.0002  -.0018
O7    .31877  .25543  .52376      .00667  .0078  .0055  .0067   .0001  -.0001  -.0003
O8    .32601  .18187  .15891      .00755  .0071  .0073  .0082   .0012  -.0006  -.0000
O9    .23591 -.00391  .01777      .00805  .0082  .0067  .0093  -.0005   .0011  -.0005
O10   .18103  .15696  .34853       .0084  .0090  .0077  .0085  -.0018  -.0014   .0003
Ow1   .21315  .07221  .76340 .931 .00648  .0110  .0039  .0045   .0035  -.0027  -.0008
Ow2   .15355  .37184  .74025 .953 .00968  .0149  .0065  .0077   .0006  -.0021  -.0016
Ow3  -.06814  .02190  .95231 .951   .013  .0136  .0127  .0127  -.0032  -.0024   .0007
Ow4   .47553  .43982  .80646 .931 .00976  .0109  .0074  .0110   .0025   .0002   .0059
H1      .250    .003    .807 .931   .055
H2      .181    .030   .6983 .931   .076
H3      .158   .4514    .781 .953   .055
H4      .099    .384   .6757 .953   .092
H5    -.1577    .021   -.018 .951   .079
H6     -.015    .018   1.018 .951   .116
H7      .442   .5172   .7727 .931   .025
H8     .5524    .426   .7601 .931   .051
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Download in:

Multiple datasets can be concatenated into a single downloadable file by selecting the datasets and then clicking

Multiple datasets can be downloaded as individual files inside a ZIP archive by selecting the datasets and then clicking

Total number of retrieved datasets: 3
View in amc, download in amc

Return to AMCSD Home Page