American Mineralogist Crystal Structure Database

2 matching records for this search.

Cobaltarthurite
 
Raudsepp M, Pani E
Download cm/vol40/CM40_733.pdf
The Canadian Mineralogist 40 (2002) 733-737
The crystal structure of cobaltarthurite, CoFe2(AsO4)2(OH)2.4H2O:
A Rietveld refinement
_database_code_amcsd 0005772
10.2694 9.6790 5.5723 90 94.277 90 P2_1/c
atom       x     y     z  occ Biso
CoM(2)     0     0     0  .59  .72
MgM(2)     0     0     0  .27  .72
MnM(2)     0     0     0  .08  .72
NiM(2)     0     0     0  .02  .72
CuM(2)     0     0     0  .02  .72
CaM(2)     0     0     0  .02  .72
FeM(1) .4554 .1357 .3405       .34
AsT    .2968 .4293 .3279  .99  .35
PT     .2968 .4293 .3279 .005  .35
ST     .2968 .4293 .3279 .005  .35
O(1)    .397  .488  .118       .59
O(2)    .360  .491  .594       .63
O(3)    .148  .494  .240       .87
O(4)    .303  .253  .323       .66
OH      .540  .228  .080       .61
OW(1)   .126  .909  .296      1.34
OW(2)   .050  .190  .150      1.46
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View JMOL 3-D Structure (permalink)
 
Cobaltarthurite
 
Kampf A R
Download cm/vol43/CM43_1387.pdf
The Canadian Mineralogist 43 (2005) 1387-1391
The crystal structure of cobaltarthurite from the Bou Azzer district, Morocco:
The location of hydrogen atoms in the arthurite structure-type
Locality: Bou Azzer district, Morocco
_database_code_amcsd 0006049
10.2635 9.7028 5.5711 90 94.2070 90 P2_1/c
atom     x     y     z  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Co2+     0     0     0 .0107  .0100  .0118  .0106 -.0023  .0020 -.0017
Fe3+ .4561 .1363 .3397 .0075  .0091  .0075  .0059  .0000  .0008  .0003
As   .2973 .4277 .3278 .0074  .0074  .0087  .0062  .0001  .0011 -.0001
O1   .3989 .4848 .1178 .0097  .0116  .0113  .0067 -.0032  .0038 -.0004
O2   .3558 .4897 .5995 .0095  .0117  .0088  .0077  .0002 -.0009 -.0013
O3   .1483 .4904 .2594 .0136  .0086  .0187  .0136  .0034  .0016  .0030
O4   .2970 .2542 .3204 .0109  .0119  .0091  .0117 -.0006  .0010 -.0013
OH   .5417 .2328 .0783 .0110  .0120  .0116  .0099  .0030  .0040  .0021
OW1  .1289 .9062 .2936 .0203  .0190  .0258  .0164 -.0021  .0029 -.0013
OW2  .0460 .1903 .1361 .0243  .0206  .0189  .0334 -.0028  .0021 -.0142
H    .5816 .1789 .9815   .05
H11  .1991 .9085 .2478   .05
H12  .1252 .9326 .4318   .05
H21  .1096 .2173 .2328   .05
H22  .9839 .2383 .1819   .05
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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