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American Mineralogist Crystal Structure Database

1 matching records for this search.

Cobaltneustadtelite
  
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 0002816
9.144 6.146 9.337 83.30 70.67 87.14 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)
Bi12  .09029 .31050 .60632       .0624  .0265  .0215 -.0173 -.0141 -.0004
Bi1    .6241  .2935  .5993 .475  .0473  .0355  .0273 -.0148 -.0094 -.0034
Ca1    .6241  .2935  .5993 .025  .0473  .0355  .0273 -.0148 -.0094 -.0034
Bi2    .5601  .3258  .6115 .475  .0426  .0310  .0269 -.0091 -.0130 -.0014
Ca2    .5601  .3258  .6115 .025  .0426  .0310  .0269 -.0091 -.0130 -.0014
FeM1       0      0      0       .0102  .0177  .0159  .0003 -.0052 -.0031
FeM2       0     .5      0  .63  .0144  .0181  .0193  .0042 -.0071 -.0070
CoM2       0     .5      0  .16  .0144  .0181  .0193  .0042 -.0071 -.0070
NiM2       0     .5      0  .19  .0144  .0181  .0193  .0042 -.0071 -.0070
ZnM2       0     .5      0  .02  .0144  .0181  .0193  .0042 -.0071 -.0070
As     .1666  .2080  .2147       .0172  .0186  .0169  .0013 -.0080 -.0047
O1     .0658  .4426  .1952        .009   .027   .015   .012   .001  -.001
OH2    .1318  .2563  .8879        .004   .025   .019   .003  -.001  -.005
O3     .0800 -.0081  .1801        .018   .018   .027   .001  -.012   .000
O4     .3445  .2432  .0832        .019   .022   .021   .010  -.009  -.016
OH5    .1296  .6231  .4666   .5   .006   .040   .027  -.008  -.009   .013
O5     .1296  .6231  .4666   .5   .006   .040   .027  -.008  -.009   .013
O6     .1824  .1427  .3897        .039   .050   .027   .018  -.028  -.006
FeM1*     .5      0      0       .0102  .0177  .0159  .0003 -.0052 -.0031
FeM2*     .5     .5      0  .63  .0144  .0181  .0193  .0042 -.0071 -.0070
CoM2*     .5     .5      0  .16  .0144  .0181  .0193  .0042 -.0071 -.0070
NiM2*     .5     .5      0  .19  .0144  .0181  .0193  .0042 -.0071 -.0070
ZnM2*     .5     .5      0  .02  .0144  .0181  .0193  .0042 -.0071 -.0070
As*    .6666  .2080  .2147       .0172  .0186  .0169  .0013 -.0080 -.0047
O1*    .5658  .4426  .1952        .009   .027   .015   .012   .001  -.001
OH2*   .6318  .2563  .8879        .004   .025   .019   .003  -.001  -.005
O3*    .5800 -.0081  .1801        .018   .018   .027   .001  -.012   .000
O4*    .8445  .2432  .0832        .019   .022   .021   .010  -.009  -.016
OH5*   .6296  .6231  .4666   .5   .006   .040   .027  -.008  -.009   .013
O5*    .6296  .6231  .4666   .5   .006   .040   .027  -.008  -.009   .013
O6*    .6824  .1427  .3897        .039   .050   .027   .018  -.028  -.006


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	Total number of retrieved datasets: 1

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