American Mineralogist Crystal Structure Database

3 matching records for this search.

Destinezite
 
Peacor D R, Rouse R C, Coskren T D, Essene E J
 
Clays and Clay Minerals 47 (1999) 1-11
Destinezite ("diadochite"), Fe2(PO4)(SO4)(OH)*6(H2O):
its crystal structure and role as a soil mineral at Alum Cave Bluff,Tennessee
Locality: Alum Cave Bluff, Tennessee, USA
_database_code_amcsd 0012239
9.570 9.716 7.313 98.74 107.90 63.86 P-1
atom     x     y     z   occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
FeM1 .8951 .3128 .8005  .906  .97  .0125  .0148  .0115 -.0075  .0025  .0009
AlM1 .8951 .3128 .8005  .094  .97  .0125  .0148  .0115 -.0075  .0025  .0009
FeM2 .2380 .2948 .6822 .8665  .91  .0110  .0123  .0115 -.0048  .0028  .0014
AlM2 .2380 .2948 .6822 .1335  .91  .0110  .0123  .0115 -.0048  .0028  .0014
P    .0544 .3842 .2426        .94  .0128  .0119  .0100 -.0044  .0025  .0015
S    .7016 .2353 .3769       1.35  .0185  .0169  .0174 -.0085  .0074 -.0045
O2   .7363 .3479 .5281        1.6   .021   .021   .018  -.011  -.001   .005
Oh7  .0866 .2194 .7057        1.4   .022   .016   .021  -.010   .011  -.005
Ow1  .3408 .2869 .9787        1.9   .017   .029   .024  -.009   .003   .002
O3   .0260 .2823 .0691        1.4   .021   .013   .017  -.004   .006  -.002
Ow4  .4052 .3673 .6493        1.6   .023   .015   .023  -.009   .009  -.003
Ow5  .9092 .0942 .7935        1.8   .026   .016   .030  -.009   .011   .000
O6   .1673 .2773 .4078        1.4   .018   .015   .013   .000   .003   .003
O8   .8625 .5246 .7987        1.6   .019   .020   .022  -.009   .006   .003
O9   .1041 .5077 .7138        1.5   .018   .019   .019  -.007   .007   .000
Ow10 .6937 .3772 .8963        1.6   .021   .025   .021  -.015   .011  -.002
Ow11 .7226 .0121 .9289        2.5   .030   .024   .037  -.009   .009  -.002
O12  .6188 .3181 .1953        2.3   .033   .046   .018  -.026  -.001   .008
Ow13 .4221 .0824 .6852        1.9   .021   .016   .028  -.006   .000   .001
O14  .4044 .8136 .5710        2.0   .032   .022   .033  -.019   .013  -.004
O15  .1490 .8936 .6358        3.3   .028   .040   .048  -.001   .022  -.009
H1   .4186 .3127 .0234        4.7
H2   .2500 .3610 .0014        4.7
H3   .3625 .4384 .5725        4.7
H4   .4548 .3114 .5731        4.7
H5   .0181 .9930 .2502        4.7
H6   .1648 .9375 .2017        4.7
H7   .0931 .1308 .6328        4.7
H8   .3334 .6197 .9963        4.7
H9   .2869 .5306 .1136        4.7
H10  .2969 .9115 .9752        4.7
H11  .2316 .0852 .0617        4.7
H12  .4766 .9426 .2518        4.7
H13  .4142 .9896 .6657        4.7
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Levinsonite-(Y)
Download hom/levinsonitey.pdf
Rouse R C, Peacor D R, Essene E J, Coskren T D, Lauf R J
 
Geochimica et Cosmochimica Acta 65 (2001) 1101-1115
The new minerals levinsonite-(Y) [(Y,Nd,Ce)Al(SO4)2(C2O4)*12H2O] and
zugshunstite-(Ce) [(Ce,Nd,La)Al(SO4)2(C2O4)*12H2O]: coexisting oxalates with
different structures and differentiation of LREE and HREE
Locality: Alum Cave Bluff, Great Smoky Mountains National Park, Tennessee
_database_code_amcsd 0012661
10.289 9.234 11.015 90 108.50 90 P2/n
atom      x      y      z occ  Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Y       .75 .51596    .75 .33 1.163 .01178  .0190 .01168      0 .00130      0
La      .75 .51596    .75 .03 1.163 .01178  .0190 .01168      0 .00130      0
Ce      .75 .51596    .75 .12 1.163 .01178  .0190 .01168      0 .00130      0
Pr      .75 .51596    .75 .03 1.163 .01178  .0190 .01168      0 .00130      0
Nd      .75 .51596    .75 .23 1.163 .01178  .0190 .01168      0 .00130      0
Sm      .75 .51596    .75 .12 1.163 .01178  .0190 .01168      0 .00130      0
Eu      .75 .51596    .75 .02 1.163 .01178  .0190 .01168      0 .00130      0
Gd      .75 .51596    .75 .08 1.163 .01178  .0190 .01168      0 .00130      0
Dy      .75 .51596    .75 .04 1.163 .01178  .0190 .01168      0 .00130      0
Al      .75  .1708    .25      1.37  .0172  .0166  .0172      0  .0041      0
S    .70722 .68050 .02782      1.46  .0166  .0185  .0184  .0009  .0024 -.0017
C     .9687  .4306  .0180      1.42   .014   .020   .020   .000  .0058   .000
O1    .6445  .5482  .0546      2.50   .033   .027   .032  -.007  .0071   .004
O2    .9077  .1659  .2016      1.94  .0240   .018   .035 -.0015  .0141  .0034
O3    .6420  .1731  .0768      2.00  .0221   .034  .0178  .0046  .0036  .0001
O4    .6283  .8082  .0459      2.44   .027   .028   .031  .0094 -.0003  -.011
O5    .4206  .6185  .1844      2.48   .027   .040   .024  -.007  .0049  -.003
O6    .8492  .6931  .1108      2.33   .018   .036   .028   .002 -.0012  -.001
O7    .8639  .3818  .9395      1.87  .0195   .023   .024 -.0057  .0008  .0010
O8    .0288  .3807  .1271      1.83  .0202   .025  .0216 -.0038  .0035  .0041
O9    .2019  .3188  .3915      2.15   .031   .032  .0199  -.002  .0086 -.0008
Ow10    .75  .3731    .25      2.25   .039   .016   .028      0   .008      0
Ow11    .75  .9670    .25      1.73   .027   .016   .022      0   .007      0
Ow12  .7798  .0394  .6022      3.35   .047   .045   .039  -.004  .0191  -.003
Ow13  .5263  .0723  .6520      3.36   .041   .030   .063   .001   .026   .006
H1     .508   .370   .765         2
H2     .079   .589   .376         4
H3     .449   .829   .952         4
H4     .171   .868   .520         6
H5     .290   .560   .825         8
H6     .053   .910   .813         6
H7     .045   .122   .888         9
H8     .050   .767   .815         6
H9     .210   .098   .662         8
H10    .670   .063   .800        16
H11    .186   .037   .388        14
H12    .924   .066   .890        12
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Zugshunstite-(Ce)
Download hom/zugshunstitece.pdf
Rouse R C, Peacor D R, Essene E J, Coskren T D, Lauf R J
 
Geochimica et Cosmochimica Acta 65 (2001) 1101-1115
The new minerals levinsonite-(Y) [(Y,Nd,Ce)Al(SO4)2(C2O4)*12H2O] and
zugshunstite-(Ce) [(Ce,Nd,La)Al(SO4)2(C2O4)*12H2O]: coexisting oxalates with
different structures and differentiation of LREE and HREE
Locality: Alum Cave Bluff, Great Smoky Mountains National Park, Tennessee
_database_code_amcsd 0012662
8.718 18.313 13.128 90 93.90 90 C2/c
atom      x      y      z occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ce        0 .00765    .25 .54 .962 .01447 .01339 .00884      0 .00186      0
La        0 .00765    .25 .09 .962 .01447 .01339 .00884      0 .00186      0
Pr        0 .00765    .25 .07 .962 .01447 .01339 .00884      0 .00186      0
Nd        0 .00765    .25 .26 .962 .01447 .01339 .00884      0 .00186      0
Sm        0 .00765    .25 .04 .962 .01447 .01339 .00884      0 .00186      0
Al      .25    .25     .5     1.20  .0147  .0159  .0154 -.0018  .0022  .0006
S    .77218 .84595 .13528     1.57  .0194  .0218  .0186 -.0018  .0034 -.0053
C     .0584  .0321  .5037     1.37   .020   .017   .015  -.002  .0041 -.0012
Ow1       0  .1482   .250     2.56   .050   .021   .025      0  -.007      0
Ow2   .2143  .8127  .1083     1.89  .0330  .0210  .0179  .0065  .0036 -.0023
O3    .6036  .8530  .1172     3.10  .0215   .042   .054 -.0034  .0021  -.023
Ow4   .0439  .7625  .9464     1.70  .0149  .0234  .0267  .0007  .0028 -.0041
O5    .0910  .0602  .4214     1.88  .0331  .0252  .0134 -.0108  .0050 -.0001
O6    .8379  .8389  .0364     2.48   .032   .040  .0226  .0020  .0082 -.0074
O7    .8300  .9108  .1903     2.19  .0256  .0299   .028 -.0055  .0046 -.0105
Ow8   .3053  .1692  .4209     1.88  .0224  .0199   .030 -.0036  .0067 -.0066
O9    .1102  .0499  .5907     1.72  .0269  .0238  .0145 -.0080  .0015 -.0013
Ow10      0  .4540    .25     3.37   .037   .035   .059      0   .022      0
Ow11  .2323  .4487  .7601     2.48  .0244   .029   .043 -.0030  .0114  .0044
Ow12  .4051  .1555  .1228     2.27  .0285   .032   .026 -.0009  .0046  .0010
O13   .3090  .2814  .1980     3.45   .078   .028   .026   .010   .006  .0008
H1     .316   .360   .398        5
H2     .293   .299   .332        6
H3     .420   .161   .410        5
H4     .003   .283   .082        5
H5     .353   .151   .065      2.8
H6     .017   .209   .016      2.4
H7     .244   .136   .410      2.4
H8     .317   .088   .204        8
H9     .344   .013   .232        5
H10    .012   .171   .293        6
H11    .386   .199   .150      3.3
H12    .013   .426   .195        9
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: 3
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