American Mineralogist Crystal Structure Database

2 matching records for this search.

Paravauxite
Download hom/paravauxite.pdf
Gatta G D, Vignola P, Meven M
 
Mineralogical Magazine 78 (2014) 841-850
On the complex H-bonding network in paravauxite, Fe2+Al2(PO4)2(OH)2*8H2O:
A single-crystal neutron diffraction study
Locality: Siglo Veinte mine, Potosi Department, Bolivia
_database_code_amcsd 0020472
5.240 10.567 6.968 106.82 110.77 72.23 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)
Fe       0     0      0  .921 .0111  .0103  .0065  .0158 -.0006  .0053  .0011
Al1      0    .5      0 1.025 .0060  .0058  .0056  .0054 -.0011  .0011  .0003
Al2      0    .5     .5 1.050 .0085  .0093  .0109  .0051 -.0022  .0025  .0007
P    .3434 .6664  .9223       .0057  .0045  .0058  .0056 -.0001  .0009  .0012
OP1  .1654 .6477  .0423       .0081  .0096  .0073  .0087 -.0028  .0045  .0002
OP2  .2941 .5757  .7020       .0085  .0082  .0111  .0050 -.0037  .0011 -.0005
OP3  .2688 .8159  .9067       .0110  .0112  .0059  .0163  .0003  .0056  .0031
OP4  .3413 .3723  .9573       .0073  .0059  .0075  .0068  .0002  .0017  .0009
Oh5  .1401 .5032  .2908       .0087  .0080  .0135  .0051 -.0032  .0021  .0017
Ow6  .2333 .3189  .5436       .0123  .0138  .0113  .0090  .0007  .0035  .0015
Ow7  .2461 .0129  .3215       .0273  .0258  .0297  .0211 -.0071 -.0039  .0101
Ow8  .2225 .1090  .9281       .0234  .0156  .0123  .0459 -.0019  .0122  .0086
Ow9  .2634 .8072  .5059       .0243  .0238  .0301  .0231 -.0018  .0110  .0105
H1   .3422 .4892  .3277       .0231  .0143  .0342  .0219 -.0063  .0044  .0079
H2   .2895 .3278  .6980       .0237  .0256  .0252  .0161 -.0003  .0047  .0056
H3   .4107 .2809  .5064       .0283  .0305  .0274  .0264  .0033  .0157  .0057
H4A  .2198 .1025  .4100  .721  .052
H4B   .352  .076   .423  .218  .052
H5   .2329 .9503  .3934       .0476   .054   .054  .0372 -.0081  .0096  .0224
H6   .1098 .2010  .9317       .0349  .0341  .0183  .0553  .0005  .0166  .0143
H7   .4144 .1196 -.0127       .0361  .0222  .0317  .0569 -.0051  .0130  .0119
H8   .2524 .8158  .6464       .0417  .0436   .052  .0354  .0009  .0230  .0159
H9A   .101  .768   .431 .2074  .051
H9B  .1739 .7345  .4165   .81  .051
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Paravauxite
Download hom/paravauxite.pdf
Baur W H
 
Neues Jahrbuch fur Mineralogie, Monatshefte 1969 (1969) 430-433
The crystal structure of paravauxite, Fe2+Al2(PO4)2(OH)2(OH2)6*2H2O
_database_code_amcsd 0014737
5.233 10.541 6.962 106.9 110.8 72.1 P-1
atom     x     y     z Biso
Fe       0     0     0  1.1
Al1      0    .5     0   .6
Al2      0    .5    .5   .6
P    .3431 .6665 .9224   .6
Op1  .1639 .6481 .0420   .8
Op2  .2935 .5759 .7002   .9
Op3  .2691 .8167 .9069  1.2
Op4  .3405 .3720 .9567   .8
Oh5  .1398 .5034 .2912   .9
Ow6  .2333 .3189 .5437  1.1
Ow7  .2474 .0124 .3195  2.2
Ow8  .2225 .1085 .9283  2.3
Ow9  .2640 .8072 .5050  2.1
H1     .31   .50   .30  3.0
H2     .27   .30   .68  3.0
H3     .41   .30   .52  3.0
H4     .25   .08   .39  3.0
H5     .25   .93   .37  3.0
H6     .17   .16   .95  3.0
H7     .36   .14   .03  3.0
H8     .30   .75   .64  3.0
H9     .16   .74   .46  3.0
Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
 
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