American Mineralogist Crystal Structure Database

1 matching records for this search.

Matulaite
Download hom/matulaite.pdf
Kampf A R, Mills S J, Rumsey M S, Spratt J, Favreau G
 
Mineralogical Magazine 76 (2012) 517-534
The crystal structure determination and redefinition of
matulaite, Fe3+Al7(PO4)4(PO3OH)2(OH)8(H2O)8*8H2O
Locality: Bachman mine, Hellertown, Northampton County, Pennsylvania, USA
_database_code_amcsd 0018885
10.604 16.608 20.647 90 98.848 90 P2_1/n
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    .5012 .84428 .24566 .71 .0372   .030   .025   .059 -.0006  .0158 -.0004
Al    .5012 .84428 .24566 .29 .0372   .030   .025   .059 -.0006  .0158 -.0004
Al1   .3876  .0873  .3597     .0383   .026   .028   .062  -.007   .011  -.002
Al2   .2319  .0902  .2028     .0353   .024   .033   .050  -.007   .009   .004
Al3   .1005  .9439  .1514     .0448   .040   .038   .060  -.001   .017   .004
Al4  -.0023  .8432  .2441     .0442   .036   .030   .071   .000   .021   .001
Al5   .8992  .7481  .3413     .0419   .036   .031   .059  -.002   .008  -.010
Al6   .7292  .0974  .2053     .0334   .028   .020   .056  -.002   .019   .001
Al7   .6080  .5915  .1391     .0387   .027   .029   .065   .001   .021   .000
P1    .3633  .6817  .1786     .0410   .031   .039   .057   .000   .021   .002
P2    .6361  .0028  .3210     .0445   .033   .031   .072   .001   .015   .000
P3    .2521  .9354  .2955     .0438   .038   .041   .055  -.008   .015  -.002
P4    .7467  .7492  .1964     .0397   .034   .035   .053  -.003   .016  -.006
P5    .6318  .7209  .3690     .0436   .031   .039   .062   .001   .012   .002
P6    .3725  .9736  .1266     .0434   .036   .038   .060   .002   .019  -.002
O1    .3686  .7705  .1970      .041   .044   .001   .077   .007   .004   .003
O2    .4709  .6614  .1386      .044   .035   .029   .069  -.008   .016  -.005
O3    .3784  .6267  .2398      .038   .037   .047   .032  -.011   .013   .006
O4    .2331  .6645  .1354      .037   .030   .027   .055  -.002   .013  -.002
O5    .6341  .9159  .2977      .037   .029   .028   .055  -.006   .006  -.002
O6    .7643  .0173  .3651      .040   .033   .031   .054   .005   .004   .003
O7    .6205  .0618  .2631      .044   .037   .039   .057   .012   .007   .015
O8    .5281  .0186  .3613      .045   .018   .037   .080   .001   .014   .012
O9    .3699  .8847  .2948      .044   .015   .056   .067   .006   .021   .001
O10   .2708  .9990  .3492      .040   .038   .033   .050  -.004   .012  -.003
O11   .1342  .8855  .3046      .045   .040   .050   .048  -.009   .017  -.007
O12   .2200  .9788  .2285      .039   .034   .027   .061  -.012   .023  -.005
O13   .8613  .7966  .1844      .048   .038   .031   .080  -.014   .020   .009
O14   .6300  .8041  .1957      .047   .047   .024   .078   .007   .031  -.003
O15   .7227  .6816  .1450      .046   .035   .040   .067  -.014   .016  -.004
O16   .7807  .7094  .2660      .044   .045   .045   .042  -.008   .005   .003
O17   .5406  .7605  .3166      .041   .028   .017   .078   .003   .011   .006
O18   .7611  .7638  .3867      .042   .036   .019   .073   .000   .019  -.006
O19   .6514  .6320  .3513      .041   .045   .000   .081   .002   .026   .001
Oh20  .5710  .7251  .4327      .043   .032   .036   .068  -.001   .025  -.002
H20    .497   .706   .442      .052
O21   .4658  .9275  .1770      .048   .048   .031   .065   .004   .010  -.012
O22   .3512  .0605  .1473      .044   .043   .034   .060   .011   .017  -.001
O23   .2430  .9307  .1086      .045   .029   .046   .064   .001   .018  -.001
Oh24  .4341  .9799  .0634      .057   .053   .049   .074   .010   .028  -.011
H24    .497   .952   .050      .068
Oh25  .3766  .1063  .2680      .040   .039   .010   .071  -.010   .010   .003
H25    .405   .156   .263      .048
Oh26  .0935  .0554  .1400      .045   .053   .035   .051  -.010   .019  -.007
H26    .105   .052   .098      .054
Oh27 -.0349  .9436  .2045      .049   .019   .032   .103   .006   .027   .042
H27   -.115   .926   .207      .059
Oh28 1.0297  .7445  .2869      .041   .023   .034   .063   .004  -.008   .001
H28   1.079   .704   .306      .050
Oh29  .6264  .5779  .2317      .043   .031   .021   .082   .004   .023  -.001
H29    .559   .606   .239      .052
Oh30 -.1037  .8554  .3109      .042   .045   .022   .061  -.001   .013  -.001
H30   -.165   .893   .296      .050
Oh31  .9029  .6380  .3564      .045   .038   .031   .068  -.011   .014   .008
H31    .975   .609   .363      .054
Oh32  .1051  .8351  .1783      .037   .021   .045   .053  -.004   .030   .001
H32    .176   .809   .169      .044
OW33  .5830  .5976  .0447      .049   .044   .042   .060  -.006   .008  -.009
H33A   .636   .626   .022      .059
H33B   .529   .571   .014      .059
OW34  .4867  .5005  .1236      .048   .043   .033   .070  -.004   .018   .013
H34A   .409   .478   .127      .057
H34B   .545   .471   .150      .057
OW35  .5149  .1740  .3832      .057   .039   .040   .096  -.012   .028  -.025
H35A   .594   .169   .373      .068
H35B   .494   .226   .381      .068
OW36  .2286  .2019  .1676      .050   .051   .045   .057   .013   .012   .002
H36A   .150   .207   .145      .061
H36B   .247   .149   .171      .061
OW37 1.0154  .7719  .4166      .056   .060   .036   .073  -.003   .012   .006
H37A  1.068   .814   .425      .068
H37B  1.017   .745   .454      .068
OW38 -.0100  .9234  .0741      .060   .064   .032   .082   .003   .005  -.002
H38A  -.031   .968   .051      .072
H38B  -.007   .882   .048      .072
OW39  .3895  .0707  .4530      .045   .049   .028   .059  -.005   .012  -.015
H39A   .450   .083   .487      .054
H39B   .400   .018   .444      .054
OW40  .7240  .9903  .1641      .050   .044   .021   .090   .004   .024  -.006
H40A   .656   .961   .173      .060
H40B   .776   .955   .148      .060
OW41  .7157  .7145  .5412      .073   .079   .060   .087   .001   .035   .002
H41A   .693   .736   .578      .088
H41B   .797   .730   .540      .088
OW42  .8197  .9077  .4752      .066   .044   .078   .086   .007   .036   .013
H42A   .736   .912   .478      .080
H42B   .826   .915   .432      .080
OW43  .5305  .1139  .5613      .067   .047   .078   .077   .009   .017   .007
H43A   .538   .099   .604      .080
H43B   .611   .126   .554      .080
OW44  .7394  .6636 -.0272      .081   .068   .088   .088   .019   .018   .016
H44A   .741   .671  -.070      .097
H44B    .77   .614  -.016      .097
OW45  .9833  .7215  .5366      .098   .124   .057   .121  -.030   .038  -.015
H45A  1.047   .685   .545      .118
H45B   .911   .695   .522      .118
OW46 -.1771  .0363  .0331      .085   .086   .072   .093   .004   .000   .012
H46A  -.261   .038   .039      .102
H46B  -.176   .062  -.007      .102
OW47 -.1552  .8153 -.0063      .092   .080   .075   .111  -.020  -.010  -.019
H47A   -.19   .863   .004      .110
H47B   -.13   .788   .031      .110
OW48   .352  .0974 -.0218      .113   .123   .089   .126   .029   .020   .003
H48A    .34   .074  -.062      .135
H48B    .38   .057   .008      .135
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Total number of retrieved datasets: 1
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