American Mineralogist Crystal Structure Database

5 matching records for this search.

Bavenite
Download hom/bavenite.pdf
Cannillo E, Coda A, Fagnani G
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0365-110X&volume=20&spage=301
Acta Crystallographica 20 (1966) 301-309
The crystal structure of bavenite
_database_code_amcsd 0009299
23.19 5.005 19.39 90 90 90 Cmcm
atom     x     y     z Biso U(1,1) U(2,2) U(3,3)  U(1,2)  U(1,3)  U(2,3)
Ca   .0842 .2425 .1524 1.29 .01440 .02234 .01225  .00000  .00000  .00125
Be2  .1252 .8218   .25 1.37 .02402 .01597 .01210  .00389       0       0
Al4  .0958    .5     0  .97 .01000 .01689 .01000       0       0  .00024
Si1      0 .7802   .25  .77 .00490 .01440 .01000       0       0       0
Si3      0 .7227 .1047  .92 .01000 .01690 .00810       0       0       0
Si5  .1704     0     0  .94 .00810 .01956 .00813       0       0  .00060
Si6  .2141 .8539 .1428  .81 .00816 .01433 .00810 -.00065  .00000  .00000
O1       0 .5769 .1830  .88 .01690 .00758 .00881       0       0 -.00169
O2       0 .0302 .1139 1.36 .01690 .02250 .01210       0       0  .00000
O3   .0572 .5976 .0718 1.47 .01902 .02371 .01300  .00352  .00485 -.00035
O4   .1314 .2298 .0361 1.29 .01618 .01952 .01325  .00335  .00218  .00238
O5   .2081 .8636 .0598 1.21 .01381 .01827 .01390  .00255 -.00131 -.00022
O6   .2337 .5575 .1646 1.18 .01058 .02129 .01290 -.00102  .00056  .00343
O7   .1547 .9245 .1799 1.14 .01396 .01588 .01344 -.00135  .00072  .00123
O8   .1211 .4868   .25 1.22 .01059 .01631 .01960 -.00192       0       0
O9   .0586 .9504   .25  .91 .00813 .01210 .01440  .00034       0       0
H     .100  .267   .25
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Stenhuggarite
Download hom/stenhuggarite.pdf
Coda A, Dal Negro A, Sabelli C, Tazzoli V
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=33&spage=1807
Acta Crystallographica B33 (1977) 1807-1811
The crystal structure of stenhuggarite
_database_code_amcsd 0009591
16.144 16.144 10.706 90 90 90 *I4_1/a
0 .25 .125
atom      x      y      z Biso
Ca    .3493  .4388 -.4768  .48
Fe    .2373  .2575 -.4916  .41
Sb   .32658 .42697 .01620  .70
As1   .3850  .2981 -.2615  .56
As2   .3973  .3146 -.7039  .41
O1    .3272  .3154 -.1225 1.08
O2    .2527  .4845 -.1007  .59
O3    .2468  .3448  .0806  .82
O4    .3049  .3100 -.3738  .96
O5    .3020  .3283 -.6317  .70
O6    .4201  .4008 -.2883 1.13
O7    .4544  .3389 -.5612  .82
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Andersonite
Download hom/andersonite.pdf
Coda A, Della Giusta A, Tazzoli V
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=37&spage=1496
Acta Crystallographica B37 (1981) 1496-1500
The structure of synthetic andersonite, Na2Ca[UO2(CO3)3].x(H2O) (x~5.6)
Note: anisotropic displacement factors are from ICSD
Note: B(2,2) for C2 changed to reproduce Biso and make positive definite
_database_code_amcsd 0009746
17.902 17.902 23.734 90 90 120 R-3m
atom      x       y      z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3)  B(2,3)
Na1   .1842  -.1842  .1622  2.9  .0030  .0030  .0013  .0015  .0002  -.0002
Na2   .1271  -.1271  .8912  3.6  .0034  .0034  .0015  .0009 -.0003   .0003
Ca    .5442  -.5442  .0566  1.9  .0019  .0019  .0008  .0008 -.0001   .0001
U    .22372 -.22372 .01171 1.76 .00163 .00163 .00086 .00064 .00002 -.00002
C1     .255   -.255   .901  4.0  .0034  .0034  .0019  .0006  .0005  -.0005
C2     .349    .421   .066  2.0  .0023  .0017  .0010  .0009  .0001  -.0006
O1    .2621  -.2621  .8471  2.3  .0035  .0035  .0002  .0018 -.0002   .0002
O2    .5061   .3134  .0708  2.6  .0034  .0025  .0011  .0017 -.0011  -.0002
O3    .2706   .3857  .0859  2.3  .0020  .0030  .0007  .0009  .0005   .0005
O4    .3664   .4594  .0193  2.6  .0026  .0027  .0011  .0011  .0008   .0016
O5    .4067   .4133  .0948  2.5  .0031  .0045  .0008  .0032  .0003   .0003
O6    .2746  -.2746  .0489  3.3  .0030  .0030  .0015  .0011 -.0008   .0008
O7    .1735  -.1735  .9757  2.8  .0029  .0029  .0013  .0017 -.0002   .0002
Wat1  .5605  -.5605  .1622  2.3  .0025  .0025  .0005  .0006 -.0001   .0001
Wat2  .4093  -.4093  .1379  2.2  .0029  .0029  .0006  .0016 -.0002   .0002
Wat3   .403       0     .5  2.8  .0031  .0024  .0012  .0012 -.0003  -.0006
Wat4  .1830   .1920  .0593  4.9  .0059  .0087  .0013  .0054 -.0002   .0002
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Krauskopfite
Download hom/krauskopfite.pdf
Coda A, dal Negro A, Rossi G
 
Atti della Accademia Nazionale dei Lincei 42 (1967) 859-873
The crystal structure of krauskopfite
Locality: Rush Creek locality, Fresno County, California
_database_code_amcsd 0012050
7.837 10.622 8.460 90 94.53 90 P2_1/c
atom      x      y      z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Ba   .20617 .14932 .12217       .0054  .0029  .0042 -.0001  .0002      0
Si1  .49067 .38317 .27346       .0041  .0020  .0037  .0000  .0001  .0002
Si2  .70113 .24619 .53086       .0044  .0025  .0030  .0000  .0003  .0004
O1    .5351  .2885  .1273       .0088  .0034  .0040  .0000  .0008  .0000
O2    .5205  .5275  .2182       .0084  .0032  .0067  .0005 -.0012  .0006
O3    .3071  .3494  .3190       .0063  .0035  .0057  .0005  .0013  .0006
O4    .6407  .3676  .4175       .0073  .0023  .0061  .0002  .0002  .0008
O5    .7659  .1299  .4325       .0097  .0037  .0053  .0008  .0016  .0005
O6    .8566  .2926  .6594       .0070  .0040  .0032  .0004  .0011  .0011
O7    .1253  .1183  .4587       .0093  .0053  .0065 -.0009  .0003  .0004
O8    .9930  .4335  .3292       .0085  .0044  .0078  .0002  .0005 -.0002
H1    .1182  .4001  .3248  2.5
H2    .9442  .3533  .2682  2.5
H3    .9915  .1220  .4494  2.5
H4    .1653  .0275  .4984  2.5
H5    .8197  .1761  .2695  2.5
H6    .5901  .0663  .3403  2.5
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Wagnerite
Download hom/wagnerite.pdf
Coda A, Giuseppetti G, Tadini C, Carobbi S G
 
Atti della Accademia Nazionale dei Lincei 43 (1967) 212-224
The crystal structure of wagnerite
Locality: Hollgraben near Werfen, Austria
_database_code_amcsd 0012052
9.644 12.679 11.957 90 108.30 90 P2_1/c
atom     x     y     z Biso
Mg1  .5519 .0708 .9131  .71
Mg2  .4661 .0697 .6003  .73
Mg3  .0458 .1820 .9195  .47
Mg4  .9648 .1782 .6071  .43
Mg5  .1907 .0193 .1900  .35
Mg6  .7896 .0040 .3071  .28
Mg7  .3066 .2316 .3134  .54
Mg8  .7069 .2457 .1947  .36
P1   .1165 .0764 .4257  .36
P2   .8787 .0716 .0760  .34
P3   .3836 .1753 .0752  .35
P4   .6200 .1781 .4235  .36
O1   .1766 .1114 .3258  .65
O2   .7981 .0943 .1646  .63
O3   .3160 .1430 .1708   .9
O4   .6921 .1501 .3296  .97
O5   .2436 .0469 .5355  .68
O6   .7674 .0539 .9529  .74
O7   .2635 .2030 .9601  .68
O8   .7387 .2032 .5398  .67
O9   .9858 .0180 .6208  .92
O10  .0227 .0272 .8844  .66
O11  .4843 .2291 .6180  .76
O12  .5190 .2252 .8817  .82
O13  .4731 .0836 .0511  .98
O14  .5190 .0877 .4393 1.01
O15  .0265 .1659 .4561  .65
O16  .9831 .1611 .0688  .85
F1   .4171 .0475 .7548 1.16
F2   .6706 .0828 .7146 1.17
F3   .1724 .1625 .7200 1.22
F4   .9139 .2044 .7598 1.18
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Total number of retrieved datasets: 5
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