American Mineralogist Crystal Structure Database

2 matching records for this search.

Wolfeite
Download hom/wolfeite.pdf
Hatert F
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-2701&volume=63&spage=119
Acta Crystallographica C63 (2007) i119-i121
Fe2(PO4)(OH), a synthetic analogue of wolfeite
Sample: T = 1063 K, P = 2.5 GPa
Locality: synthetic
_database_code_amcsd 0010339
12.265 13.197 9.7385 90 108.63 90 P2_1/a
atom      x      y      z   Uiso U(1,1) U(2,2) U(3,3)  U(1,2) U(1,3)  U(2,3)
Fe1  .18617 .47901 .19376 .01071 .01085 .01028  .0115  .00162 .00421  .00201
Fe2  .19694 .99592 .21291 .01149 .01351 .01112  .0101  .00264 .00419 -.00019
Fe3  .30513 .75256 .29273 .01123 .01163 .01179  .0103  .00277 .00360 -.00060
Fe4  .31951 .26973 .30345 .01105 .01120 .01042  .0117  .00139 .00393  .00247
Fe5  .09624 .07077 .46901 .00972 .01012 .00916  .0101  .00001 .00349 -.00089
Fe6  .08583 .57379 .45225 .01027 .01072 .00859  .0119 -.00026 .00411 -.00101
Fe7  .39418 .67471 .03055 .00993 .01016 .00952 .01050  .00028 .00384 -.00084
Fe8  .42078 .17817 .03819 .00997 .00924 .00860  .0117  .00014 .00278 -.00057
P1   .07905 .82099 .38026 .00676  .0066  .0063  .0075  -.0002  .0024   .0003
P2   .07602 .32635 .38299 .00686  .0074  .0061  .0076  -.0002  .0031   .0002
P3   .42315 .42210 .11279 .00687  .0068  .0061  .0080   .0003  .0027   .0003
P4   .42299 .92823 .11949 .00710  .0071  .0065  .0081  -.0004  .0031  -.0001
O1   .04820 .41441  .4692  .0119  .0148  .0079  .0156  -.0011  .0087  -.0026
O2   .06179 .90778  .4786  .0106  .0135  .0078  .0126  -.0012  .0072  -.0030
O3   .43109 .84131 .01601  .0109  .0123  .0096  .0116  -.0009  .0050  -.0020
O4   .45629 .33759 .02469  .0106  .0128  .0075  .0137  -.0009  .0070  -.0018
O5   .02660 .04732 .24280  .0124  .0098  .0164  .0098   .0012  .0013   .0007
O6   .04222 .55422  .2321  .0128  .0088  .0158  .0128   .0031  .0020   .0003
O7   .46693 .70339 .25990  .0105  .0097  .0125  .0086   .0017  .0019   .0006
O8   .46736 .20329 .25925  .0117  .0130  .0131  .0075   .0031  .0013  -.0002
O9   .17370 .84765 .31467  .0105  .0107  .0086  .0143   .0019  .0068   .0017
O10  .17260 .36039  .3235  .0114  .0113  .0100  .0152   .0023  .0075   .0026
O11  .32383 .38410 .16570  .0106  .0101  .0102  .0139   .0004  .0071   .0026
O12  .33438 .90383 .19549  .0104  .0108  .0106  .0124   .0001  .0075   .0006
O13  .11945 .72824 .48136  .0100  .0124  .0067  .0101  -.0015  .0026   .0015
O14  .11844 .23468 .48289  .0099  .0110  .0080  .0100  -.0002  .0023   .0026
O15  .38401 .02293 .02153  .0111  .0131  .0076  .0123   .0004  .0037   .0012
O16  .37744 .51319 .01106  .0105  .0113  .0083  .0115   .0000  .0031   .0016
O17  .25267 .03010  .4355  .0127  .0122  .0097  .0151  -.0010  .0030  -.0007
O18  .20709 .16164  .1946  .0138  .0158  .0117  .0153  -.0029  .0069  -.0023
O19  .24270 .71909  .0681  .0115  .0109  .0092  .0136   .0004  .0025   .0015
O20  .30206 .58279  .3086  .0136  .0131  .0134  .0157  -.0025  .0067  -.0016
H1     .264  -.026   .453   .081
H2     .152   .169   .215   .031
H3     .234   .769   .055   .054
H4     .361   .573   .279   .022
Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Wolfeite
Download hom/wolfeite.pdf
Kolitsch U
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=1600-5368&volume=59&spage=125
Acta Crystallographica E59 (2003) i125-i128
Mg-rich wolfeite, (Fe,Mg)2(PO4)(OH): structure refinement and
Raman spectroscopic data
Locality: Big Fish River area, Yukon Territory, Canada
_database_code_amcsd 0010412
12.274 13.169 9.754 90 108.64 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)
Fe1  .18625 .479059 .19287       .00980 .00932 .00976 .01031  .00155 .00313  .00193
Fe2  .19712 .996441 .21294       .01034 .01194 .01006 .00902  .00231 .00332 -.00030
Fe3  .30503 .752291 .29253       .00998 .01030 .01092 .00870  .00261 .00302 -.00027
Fe4  .31941 .269768 .30463       .00970 .01000 .00933 .00988  .00135 .00332  .00222
Fe5  .09673 .070820 .46928 .9027 .00829 .00825 .00839 .00808  .00027 .00240 -.00064
Mg5  .09673 .070820 .46928 .0973 .00829 .00825 .00839 .00808  .00027 .00240 -.00064
Fe6  .08530 .573760 .45154 .7596 .00886 .00867 .00781 .01029 -.00013 .00328 -.00088
Mg6  .08530 .573760 .45154 .2404 .00886 .00867 .00781 .01029 -.00013 .00328 -.00088
Fe7  .39431 .674980 .03060 .8138 .00814 .00801 .00822 .00862  .00041 .00326 -.00066
Mg7  .39431 .674980 .03060 .1862 .00814 .00801 .00822 .00862  .00041 .00326 -.00066
Fe8  .42084 .178485 .03902 .8806 .00827 .00724 .00756 .00944 -.00005 .00186 -.00043
Mg8  .42084 .178485 .03902 .1194 .00827 .00724 .00756 .00944 -.00005 .00186 -.00043
P1   .07895  .82096 .38003       .00565 .00545 .00578 .00571 -.00009 .00176  .00009
P2   .07554  .32667 .38279       .00547 .00580 .00500 .00588 -.00005 .00223  .00013
P3   .42320  .42224 .11305       .00546 .00535 .00528 .00568  .00005 .00167  .00015
P4   .42369  .92805 .11974       .00582 .00575 .00600 .00584 -.00029 .00204  .00004
O1   .04746  .41493 .46857        .0105  .0128  .0079  .0132  -.0012  .0076  -.0028
O2   .06154  .90756 .47864        .0095  .0112  .0089  .0097  -.0009  .0049  -.0034
O3   .43160  .84078 .01678        .0097  .0107  .0096  .0103  -.0011  .0054  -.0037
O4   .45635  .33768 .02509        .0094  .0102  .0080  .0111  -.0011  .0049  -.0023
O5   .02635  .04737 .24273        .0107  .0082  .0139  .0087   .0021  .0008   .0012
O6   .04291  .55442 .23235        .0110  .0081  .0158  .0076   .0037  .0005  -.0011
O7   .46682  .70250 .25868        .0098  .0073  .0130  .0082   .0017  .0012   .0003
O8   .46690  .20262 .25864        .0113  .0101  .0147  .0073   .0035  .0001  -.0003
O9   .17393  .84775 .31437        .0094  .0081  .0098  .0117   .0004  .0053   .0012
O10  .17245  .36054 .32331        .0095  .0089  .0097  .0124   .0012  .0068   .0026
O11  .32337  .38398 .16515        .0092  .0077  .0094  .0117   .0011  .0051   .0024
O12  .33522  .90386 .19588        .0094  .0100  .0089  .0116   .0010  .0067   .0012
O13  .11856  .72748 .48034        .0094  .0107  .0076  .0091   .0002  .0021   .0022
O14  .11776  .23476 .48261        .0093  .0105  .0074  .0094   .0010  .0023   .0028
O15  .38512  .02300 .02283        .0095  .0110  .0081  .0093   .0007  .0031   .0020
O16  .37799  .51398 .01303        .0096  .0101  .0076  .0107   .0009  .0028   .0033
O17  .25351  .03131 .43671        .0102  .0087  .0089  .0117   .0007  .0014   .0003
O18  .20613  .16268 .19383        .0113  .0130  .0098  .0110  -.0023  .0038  -.0025
O19  .24283  .71893 .06783        .0095  .0076  .0089  .0109   .0000  .0013  -.0002
O20  .30215  .58247 .30905        .0112  .0129  .0110  .0106  -.0014  .0053  -.0014
H1     .264   -.026   .459         .044
H2     .155    .172   .224         .061
H3     .236    .776   .044         .037
H4     .353   .5759   .276         .038
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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