American Mineralogist Crystal Structure Database

1 matching records for this search.

Sainfeldite
Download hom/sainfeldite.pdf
Ferraris G, Abbona F
 
Bulletin de la Societe Francaise de Mineralogie et de Cristallographie 95 (1972) 33-41
The crystal structure of Ca5(HAsO4)2(AsO4)2*4H2O (Sainfeldite)
Locality: synthetic
_database_code_amcsd 0012134
18.781 9.820 10.191 90 97.02 90 C2/c
atom      x      y      z Biso  B(1,1)  B(2,2)  B(3,3)   B(1,2)   B(1,3)   B(2,3)
Ca1      .5 .39531    .75      .000511 .002048 .001735  .000000 -.000027  .000000
Ca2  .32106 .08094 .18553      .000684 .001763 .002370 -.000082  .000159  .000227
Ca3  .32375 .46774 .14044      .000590 .001737 .002444 -.000096  .000106 -.000503
As1  .41471 .31962 .41581      .000482 .001659 .001515 -.000027 -.000040 -.000076
As2  .65932 .24002 .62295      .000439 .001011 .001417  .000068  .000027 -.000050
O2    .4250  .4313  .2970      .001015 .003241 .002468 -.000382  .000172  .001258
O3    .3388  .2324  .3657      .000691 .004226 .003568 -.001011  .000027 -.001057
O4    .4128  .3940  .5635      .000950 .003992 .001100  .000423 -.000106 -.000982
O5    .6624  .2583  .4591      .001086 .002489 .001784  .000014  .000000  .000025
O6    .7029  .0956  .6740      .000820 .001348 .003959  .000519  .000504  .001107
O7    .7017  .3747  .7009      .000583 .002618 .004130 -.000451  .000199 -.001359
O8    .5726  .2339  .6523      .000612 .002230 .003372 -.000068  .000305 -.000126
Oh1   .4829  .2007  .4305      .001360 .004589 .004570  .001516 -.000544 -.001082
Ow1   .2383  .4115  .4725      .001108 .001944 .003250  .000041  .000491  .000025
Ow2   .5708  .0207  .8395      .001475 .010214 .011436  .001680  .001286  .002039
H1     .515   .230   .500  2.4
H2     .258   .358   .438  1.4
H3     .212   .358   .520  2.1
H4     .564   .110   .780  7.2
H5     .532  -.030   .820  5.6
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