American Mineralogist Crystal Structure Database

1 matching records for this search.

Mooreite
Download hom/mooreite.pdf
Hill R J
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=36&spage=1304
Acta Crystallographica B36 (1980) 1304-1311
The structure of mooreite
Locality: Sterling Hill, New Jersey, USA
Note: Isotropic and anisotropic displacement factors taken from ICSD
_database_code_amcsd 0009711
11.147 20.350 8.202 90 92.69 90 P2_1/a
atom       x       y      z  occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Mg1   .04530 -.00217 .18168            .0069  .0173  .0082 -.0004  .0019  .0018
Mg2   .31801 -.00420 .27219            .0080  .0181  .0079 -.0011  .0020 -.0007
Mg3   .13643 -.00408 .54463            .0048  .0138  .0093  .0006  .0020 -.0012
Mg4   .40908  .00041 .63507            .0077  .0165  .0079  .0008  .0009 -.0009
Mg5       .5       0      0            .0092  .0155  .0047 -.0001  .0001  .0010
Zn1   .23039  .08363 .90475            .0086  .0115  .0105  .0003  .0013 -.0001
Zn2   .27372  .40940 .09073            .0104  .0124  .0103 -.0010  .0020 -.0012
Mn    .36743  .24605 .98358 .941       .0119  .0133  .0169 -.0005  .0025 -.0001
S     .12580  .22529 .46938            .0216  .0273  .0168  .0021  .0046  .0007
O1     .0342   .1808  .4090             .089   .049   .217  -.036  -.085   .031
O2     .2400   .1926  .4612             .034   .105   .082   .041   .037   .045
O3     .1166   .2836  .3681             .049   .080   .061   .012   .006   .052
O4     .1074   .2396  .6325             .169   .159   .013   .124   .002  -.011
Oh5    .2452   .3146  .0768             .016   .013   .015   .000   .005  -.001
Oh6    .2286   .1808  .9099             .018   .019   .019  -.005   .004  -.003
Oh7    .1676   .0463  .3298             .013   .011   .010   .000   .004  -.001
Oh8    .4379   .0504  .4213             .014   .010   .011   .003   .003   .001
Oh9   -.0109   .0510  .6069             .009   .014   .008   .001  -.002   .000
Oh10   .0718   .0542 -.0293             .009   .017   .009  -.001   .002  -.002
Oh11   .2580   .0567  .6803             .012   .011   .008  -.001   .002   .000
Oh12   .3527   .0559  .0670             .009   .012   .014  -.001   .003   .000
Oh13   .1170   .4423  .1552             .008   .015   .017   .001   .006  -.003
Oh14   .2109   .4462  .5130             .008   .015   .010   .001   .002   .002
Oh15   .3067   .4380  .8691             .011   .015   .011  -.001   .001   .001
Oh16   .4008   .4393  .2469             .013   .013   .011   .001   .001  -.001
Oh17   .0277   .4503  .7907             .012   .008   .004   .001   .002  -.001
Ow18   .0174   .1877  .0606             .021   .025   .026   .010   .006  -.006
Ow19   .3987   .1903  .2153             .023   .026   .024  -.004   .002   .009
Ow20   .0287   .3110  .8884             .021   .022   .024   .000  -.001  -.003
Ow21   .3602   .2956  .7405             .030   .046   .026  -.004   .006   .004
H5      .231    .307   .153       .05
H6      .214    .187   .857       .05
H7      .171    .082   .341       .05
H8      .450    .085   .426       .05
H9      .000    .084   .599       .05
H10     .057    .078  -.004       .05
H11     .259    .092   .640       .05
H12     .375    .083   .105       .05
H13     .085    .418   .164       .05
H14     .224    .414   .500       .05
H15     .316    .403   .818       .05
H16     .431    .406   .287       .05
H17     .030    .409   .800       .05
H181    .025    .199   .128       .05
H186    .097    .180   .003       .05
H192    .355    .189   .302       .05
H193    .442    .204   .243       .05
H204    .032    .298   .792       .05
H205    .084    .316   .970       .05
H214    .404    .292   .687       .05
H214'   .303    .282   .685       .05
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