American Mineralogist Crystal Structure Database

1 matching records for this search.

Tengchongite
Download hom/tengchongite.pdf
Li T, Fan G, Ge X, Wang T, Yu A, Deng L
 
The Canadian Mineralogist 60 (2022) 533-542
Crystal structure of tengchongite with a revised chemical formula Ca(UO2)6(MoO4OH)2O2(OH)4*9H2O
Locality: Type sample from Tengchong County, Yunnan Province, China
_database_code_amcsd 0021076
13.0866 17.6794 15.6800 90 90 90 C222_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)
Ca    .89259  .11022 .64392 .48 .03487 .03362 .03029 .04070  .00255  .00580 -.00075
Na    .89259  .11022 .64392 .02 .03487 .03362 .03029 .04070  .00255  .00580 -.00075
U1    .74960  .27093 .48457     .01991 .01388 .03531 .01053 -.00152 -.00023 -.00047
U2    .77624  .20695 .25350     .01830 .01477 .02956 .01057  .00037  .00067 -.00013
U3    .52535  .17391 .37445     .01862 .01421 .02878 .01288 -.00069  .00018  .00061
Mo    .00222  .30274 .39165 .93 .02016 .01225 .03613 .01211  .00089 -.00143  .00100
Si    .00222  .30274 .39165 .02 .02016 .01225 .03613 .01211  .00089 -.00143  .00100
P     .00222  .30274 .39165 .02 .02016 .01225 .03613 .01211  .00089 -.00143  .00100
O1    .69861  .35453 .43550     .03010 .03406 .03923 .01702  .00813  .00270  .00847
O2    .80355  .19065 .53788     .03272 .03425 .04663 .01726  .00276 -.00400 -.00081
O3    .71618  .29525 .22899     .03114 .03138 .02937 .03267  .00192 -.00380  .00813
O4    .83393  .11850 .27419     .03215 .03472 .03706 .02468  .00865 -.00073  .00235
O5    .49640  .27014 .35178     .02946 .03355 .02811 .02671  .00552 -.00631  .00470
O6    .55000  .07681 .39400     .03284 .03257 .03822 .02771  .00147  .00617  .00737
O7    .92473  .26288 .18914     .03755 .02292 .07203 .01769 -.01861 -.00263  .00843
O8    .87624  .26220 .37114     .02467 .01201 .04597 .01601 -.00839  .00102 -.00044
O9    .00481  .39810 .37052     .04208 .04824 .04294 .03505 -.00896  .00415  .00703
O10   .07936  .27762 .48454     .02616 .01668 .05013 .01167  .00558 -.00169 -.00354
O11   .68968  .20153 .37591     .02376 .01956 .04192 .00979 -.00759  .00374 -.00451
OH12  .40383  .16007 .48681     .02541 .01833 .04258 .01533  .00033  .00529  .00296
OH13  .60638  .14670 .23114     .01760 .01203 .02729 .01348  .00251 -.00041  .00131
OH14  .72014  .32984 .61236     .02513 .02339 .03743 .01458 -.00199 -.00070  .00048
Wat15 .98730  .09965 .51686  .5 .04500
Wat16 .73135  .05053 .61799  .5 .07721
Wat17 .94548 -.02174 .63284  .5 .07345
Wat18 .91419  .08840 .79319  .5 .08914
Wat19 .38301       0     .5     .07301
Wat20 .64181 -.00493 .21278     .08670
Wat21 .67406  .47632 .59598     .12564
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