American Mineralogist Crystal Structure Database

1 matching records for this search.

Neustadtelite
Download hom/neustadtelite.pdf
Krause W, Bernhardt H J, McCammon C A, Effenberger H
Download am/vol87/AM87_726.pdf
American Mineralogist 87 (2002) 726-738
Neustadtelite and cobaltneustadtelite, the Fe- and Co- analogues of medenbachite
_database_code_amcsd 0002815
4.566 6.158 8.972 95.52 99.51 92.85 P-1
atom     x     y      z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Bi1  .1615 .2955  .4012 .49  .0404  .0272  .0253  .0153  .0036  .0010
Ca1  .1615 .2955  .4012 .01  .0404  .0272  .0253  .0153  .0036  .0010
Bi2  .2590 .3225  .3934 .49  .0350  .0247  .0253  .0114  .0031  .0023
Ca2  .2590 .3225  .3934 .01  .0350  .0247  .0253  .0114  .0031  .0023
FeM1     0     0      0      .0194  .0188  .0191  .0070  .0017  .0018
FeM2     0    .5      0  .5  .0171  .0147  .0177  .0054  .0038  .0045
CoM2     0    .5      0 .38  .0171  .0147  .0177  .0054  .0038  .0045
NiM2     0    .5      0 .04  .0171  .0147  .0177  .0054  .0038  .0045
AlM2     0    .5      0 .05  .0171  .0147  .0177  .0054  .0038  .0045
ZnM2     0    .5      0 .01  .0171  .0147  .0177  .0054  .0038  .0045
CuM2     0    .5      0 .01  .0171  .0147  .0177  .0054  .0038  .0045
As   .5462 .7913 .21425      .0208  .0189  .0196  .0075  .0029  .0031
O1   .3281 .5603  .1963       .025   .020   .032   .007   .003   .011
OH2  .1531 .7427  .8902       .024   .022   .025   .003  -.003   .007
O3   .3443 .0063  .1764       .015   .026   .028   .004  -.001   .007
O4   .2269 .2422  .9198       .028   .026   .018   .013   .007   .002
O5   .2699 .6196  .5353       .026   .040   .020   .005  -.004  -.008
O6   .2472 .1436  .6133       .034   .040   .025   .007  -.007  -.003
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