American Mineralogist Crystal Structure Database

2 matching records for this search.

Collinsite
Download hom/collinsite.pdf
Herwig S, Hawthorne F C
Download cm/vol44/CM44_1181.pdf
The Canadian Mineralogist 44 (2006) 1181-1196
The topology of hydrogen bonding in brandtite, collinsite and fairfieldite
Locality: Rapid Creek, Yukon Territory, Canada
_database_code_amcsd 0006118
5.729 6.778 5.444 97.31 108.56 107.25 P-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)
CaX  .30332 .75897 .65422     .00910 .00765 .01038 .00879 .00259 .00351 .00116
MgM       0      0      0 .92 .00636  .0058  .0068  .0064 .00258 .00196 .00095
MnM       0      0      0 .01 .00636  .0058  .0068  .0064 .00258 .00196 .00095
FeM       0      0      0 .06 .00636  .0058  .0068  .0064 .00258 .00196 .00095
PT   .33308 .24382 .66329     .00577 .00513 .00637 .00578 .00225 .00175 .00174
O1   .25585 .07243 .40377     .00989  .0098  .0102  .0078  .0037  .0019 -.0007
O2   .33308 .12722 .89146     .00899  .0088  .0109  .0089  .0040  .0037  .0055
O3   .15488 .37340 .63328     .00907  .0091  .0098  .0104  .0058  .0036  .0036
O4   .61936 .38661 .72049     .00948  .0064  .0100  .0100  .0007  .0025  .0024
OW   .94947 .27786 .06803     .00884  .0084  .0084  .0088  .0025  .0023  .0024
H1     .838   .316  -.077       .039
H2     .117   .392   .144       .050
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View JMOL 3-D Structure (permalink)
 
Collinsite
Download hom/collinsite.pdf
Brotherton P D, Maslen E N, Pryce M W, White A H
 
Australian Journal of Chemistry 27 (1974) 653-656
Crystal structure of collinsite
_database_code_amcsd 0012055
5.7344 6.780 5.4413 97.29 108.56 107.28 P-1
atom     x     y     z  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Mg       0     0     0         .011    .01    .01   .003   .002   .001
Ca   .3031 .7590 .6544         .012   .013   .012   .003   .004   .002
P    .3336 .2436 .6633         .011    .01   .009   .003   .002   .002
O1   .3319 .1276 .8905         .012   .013   .006   .005   .002   .005
O2   .2549 .0720 .4028         .011   .011   .009      0   .001  -.001
O3   .1547 .3740 .6334         .013   .009   .014   .006   .005   .004
O4   .6185 .3864 .7212         .009   .011   .009   .001   .002   .004
O5   .9489 .2776 .0685         .011   .012   .008   .003   .003  -.003
H1     .12   .39   .15 .0058
H2     .77   .28   .89 .0014
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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