American Mineralogist Crystal Structure Database

2 matching records for this search.

Billietite
Download hom/billietite.pdf
Pagoaga M K, Appleman D E, Stewart J M
Download am/vol72/AM72_1230.pdf
American Mineralogist 72 (1987) 1230-1238
Crystal structures and crystal chemistry of the uranyl oxide hydrates
becquerelite, billietite, and protasite
Note: y-coordinate of O601u atom changed to make calculated bond lengths
match those published
Locality: Shinkolobwe mine, Shaba, Zaire
_database_code_amcsd 0001133
12.0720 30.167 7.1455 90 90 90 Pbn2_1
atom       x       y      z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
U1    .44426  .25322  .0045       .0044  .0023  .0030  .0011 -.0004  .0011
U2    .25251  .26419  .4376       .0064  .0039  .0051 -.0006  .0023  .0001
U3    .06112  .25716  .0075       .0057  .0019  .0029 -.0002 -.0011 -.0018
U4    .43954 -.00465 -.0141       .0058  .0059  .0039  .0006 -.0001 -.0003
U5    .06074 -.00560 -.0081       .0053  .0062  .0034 -.0001 -.0007  .0003
U6    .25071 -.01161  .5291       .0044  .0039  .0067  .0001  .0009  .0006
Ba     .3628  .12391 -.3120       .0133  .0113  .0161 -.0006  .0006  .0019
O101u   .468   .3084   .026 .006
O102u   .416   .1949  -.004 .006
O201u   .255   .3248   .423 .006
O202u   .255   .2046   .460 .006
O301u   .031   .3116   .023 .006
O302u   .075   .1997  -.007 .006
O401u   .387   .0519  -.031 .006
O402u   .494  -.0633  -.021 .006
O501u   .109   .0504   .041 .006
O502u   .014  -.0626  -.050 .006
O601u   .258   .0449   .438 .006
O602u   .240  -.0672   .561 .006
O1h     .391   .2682   .703  .01
O2o     .411   .2520   .349 .004
O3o     .095   .2479   .309 .004
O4h     .118   .2698   .691  .01
O5h     .270   .2571   .017  .01
O11o    .418  -.0144   .676 .004
O12h    .394  -.0268   .326  .01
O13h    .104  -.0275   .326  .01
O14o    .090  -.0051   .695 .004
O15h    .252  -.0259  -.082  .01
O16w    .230   .1221  -.008 .007
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Billietite
Download hom/billietite.pdf
Finch R J, Burns P C, Hawthorne F C, Ewing R C
Download cm/vol44/CM44_1197.pdf
The Canadian Mineralogist 44 (2006) 1197-1205
Refinement of the crystal structure of billietite, Ba [(UO2)6 O4 (OH)6] (H2O)8
Locality: Shaba, Democratic Republic of Congo
_database_code_amcsd 0006120
12.0941 30.211 7.1563 90 90 90 Pbn2_1
atom      x      y      z  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ba   .63786 .87627  .3155 .0206  .0185  .0213  .0220 -.0011  .0003  .0005
U1   .55842 .74671 .00092 .0110  .0093  .0153  .0084 -.0003 -.0001 -.0001
U2   .74723 .73833  .5391 .0116  .0079  .0154  .0115 -.0001 -.0005  .0006
U3   .93753 .74265 .99884 .0108  .0083  .0156  .0085  .0006 -.0001 -.0005
U4   .55865 .00466 .01958 .0113  .0091  .0172  .0076 -.0004 -.0005 -.0004
U5   .94118 .00557 .01401 .0115  .0093  .0173  .0079  .0003  .0004 -.0005
U6   .74929 .01411  .4481 .0113  .0067  .0166  .0104  .0002  .0000 -.0006
O1    .5213  .6903   .952 .0200
O2    .5990  .8024   .058 .0176
O3    .7431  .6804   .599 .0183
O4    .7464  .7936   .445 .0171
O5    .9753  .6866   .952 .0169
O6    .8993  .7983   .052 .0202
O7    .6062  .9477   .032 .0232
O8    .5115  .0616   .011 .0166
O9    .8965  .9494   .980 .0230
O10   .9835  .0624   .039 .0190
O11   .7381  .9538   .473 .0194
O12   .7547  .0733   .432 .0116
OH13  .6016  .7238   .322 .0139
O14   .5935  .7558   .691 .0157
O15   .9038  .7496   .688 .0107
OH16  .8912  .7211   .322 .0139
OH17  .7464  .7244   .968 .0184
O18   .5779  .0136   .326 .0166
OH19  .6147  .0210   .697 .0137
OH20  .8880  .0229   .691 .0128
O21   .9161  .0043   .325 .0205
OH22  .7492  .0272   .076 .0152
OW23  .7739  .8733   .995 .0302
OW24  .9220  .6312   .314 .0319
OW25  .4129  .8883   .202 .0327
OW26  .9179  .1144   .690 .0382
OW27  .5645  .6345   .300 .0411
OW28  .7419  .6249   .025 .0539
OW29   .634  .8602   .696 .0523
OW30   .864  .8755   .390 .0452
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: 2
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