American Mineralogist Crystal Structure Database

2 matching records for this search.

Edwardsite
Download hom/edwardsite.pdf
Elliot P, Brugger J, Caradoc-Davies T
 
Mineralogical Magazine 74 (2010) 39-53
Description and crystal structure of a new mineral, edwardsite,
Cu3Cd2(SO4)2(OH)6*4H2O, from Broken Hill, New South Wales, Australia
Locality: Block 14 Opencut, Broken Hill, Australia
_database_code_amcsd 0014597
10.863 13.129 11.169 90 113.04 90 P2_1/c
atom        x      y       z occ  Uiso U(1,1) U(2,2) U(3,3)  U(1,2) U(1,3)  U(2,3)
Cu1    .52495 .74448 1.01316     .0095  .0117  .0060  .0105  -.0010  .0041   .0003
Cu2        .5     .5       1     .0093  .0111  .0067  .0096  -.0014  .0036  -.0007
Cu3        .5     .5      .5     .0095  .0115  .0065  .0103   .0007  .0042   .0013
Cu4    .49372 .37193  .74106     .0091  .0115  .0059  .0105  -.0003  .0050   .0005
Cd1   -.00341 .56798  .31880     .0103  .0103  .0079  .0123  .00036  .0039 -.00009
Cd2    .56339 .61959  .77299 .89 .0117  .0201  .0057  .0105 -.00116  .0074 -.00215
Zn     .56339 .61959  .77299 .11 .0117  .0201  .0057  .0105 -.00116  .0074 -.00215
S1     .18421 .38395  .49236     .0092  .0103  .0069  .0101   .0000  .0037   .0006
S2     .19454 .61158  .89026     .0095  .0101  .0077  .0115  -.0018  .0051  -.0007
O1      .1302  .2814   .4883     .0157   .021   .007   .020   .0017   .008  -.0021
O2      .3292  .3803   .5269     .0112   .010   .014   .007  -.0018  .0001   .0002
O3      .1550  .4483   .5877     .0118   .014   .009   .015  -.0018  .0083   .0016
O4      .1222  .4307   .3604     .0125   .017   .011   .010   .0044  .0054   .0050
O5      .3288  .6217   .9932     .0133   .012   .012   .015  -.0006  .0038  -.0011
O6      .1857  .6688   .7728     .0141   .017   .013   .012   .0029  .0056   .0006
O7      .0944  .6526   .9380     .0139   .018   .011   .015  -.0020  .0084  -.0003
O8      .1663  .5021   .8562     .0134   .013   .009   .016  -.0012  .0025   .0019
OH9     .6077  .6175   .9863     .0148   .013   .011   .020  -.0037   .005  -.0012
OH10    .6095  .7275  1.2014     .0110   .011   .008   .012   .0000  .0023   .0032
OH11    .5573  .2527   .6770     .0126   .017   .009   .014   .0033  .0082   .0031
OH12    .4316  .4903   .8079     .0114   .012   .011   .013  -.0048  .0061  -.0031
OH13    .4426  .6310   .5499     .0110   .014   .007   .012   .0006  .0049   .0014
OH14    .4044  .5295   .3157     .0125   .013   .014   .012   .0012  .0070   .0011
Wat15   .1335  .6248   .2090     .0175   .020   .016   .019  -.0002   .011  -.0026
Wat16   .1566  .6507   .4978     .0138   .015   .009   .018   .0015  .0068   .0001
Wat17  -.1000  .7201   .2504     .0173   .024   .008   .019   .0018   .007   .0016
Wat18   .7994  .5979   .8606     .0247   .017   .023   .031   -.001   .006   -.004
H1       .700   .615   1.011      .035
H2       .698   .707   1.226      .035
H3       .644   .228    .700      .035
H4       .336   .488    .771      .035
H5       .353   .634    .534      .035
H6       .321   .556    .302      .035
H7       .143   .696    .206      .035
H8       .116   .601    .125      .035
H9       .135   .720    .494      .035
H10      .145   .625    .570      .035
H11     -.102   .751    .171      .035
H12     -.042   .769    .312      .035
H13      .837   .655    .913      .035
H14      .862   .572    .831      .035
Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Liskeardite
Download hom/liskeardite.pdf
Grey I E, Mumme W G, Macrae C M, Caradoc-Davies T, Price J R, Rumsey M S, Mills S J
 
Mineralogical Magazine 77 (2013) 3125-3135
Chiral edge-shared octahedral chains in liskeardite, [(Al,Fe)32(AsO4)18(OH)42(H2O)22]
*52H2O, an open framework mineral with a pharmacoalumite-related structure
Note: T = 100 K
Locality: Marke Valley mine, Liskeard District, Cornwall, UK
_database_code_amcsd 0020528
24.576  7.754 24.641 90 90.19 90 I2
atom       x      y      z  occ  Uiso
As1   .79768 .18161 .75058      .0263
As2        0 .50188     .5      .0217
As3   .86884 .98957 .58781      .0249
As4   .74933 .82240 .29770      .0261
As5   .91225 .01416 .36875      .0250
Al1   .93923  .8635 .48702 .679 .0217
Fe1   .93923  .8635 .48702 .321 .0217
Al2   .98726  .1407  .5609 .612 .0245
Fe2   .98726  .1407  .5609 .388 .0245
Al3    .8107  .1938  .3151      .0247
Al4    .6838  .3181  .6895      .0287
Al5    .6849  .3095  .8108      .0252
Al6    .6896  .1848  .3161      .0282
Al7    .8713  .9300  .2497      .0282
Al8    .7494  .0738  .6289      .0283
O1     .8435  .3385  .7496  .75  .037
OH1    .8435  .3385  .7496  .25  .037
O2     .8056  .0570  .8048       .037
O3     .7344  .2697  .7524       .027
O4     .7993  .0576  .6933       .027
O5     .9888  .3826  .5551       .029
O6     .4443  .1214  .9889       .027
O7     .8765  .8734  .5306       .027
O8     .8106  .1041  .5836       .034
O9     .6291  .3530  .8593       .029
O10    .9195  .1353  .5964       .028
O11    .6952  .9449  .3060       .033
O12    .7495  .1654  .1568  .75  .039
OH12   .7495  .1654  .1568  .25  .039
O13    .7526  .2322  .2648       .027
O14    .8071  .9459  .2998      .0249
O15    .9162  .8997  .3109       .033
O16    .9695  .1293  .3766       .028
O17    .8588  .1500  .3705       .031
O18    .9037  .8692  .4202       .028
OH19   .9502  .1155  .4891      .0239
OH20   .9889  .8877  .5500      .0218
OH21   .7504  .1977  .3609       .028
OH22   .8630  .1663  .2603       .029
Wat23  .8260  .4357  .3212       .032
OH24   .6389  .3064  .7504       .029
OH25   .6846  .0851  .6707       .032
OH26   .7398  .3130  .6378       .033
Wat27  .3751  .3638  .3600       .045
OH28   .7397  .3372  .8621       .028
Wat29  .6782  .0680  .8258       .029
Wat30  .6392  .1419  .3739       .047
OH31   .8285  .9184  .1851       .032
OH32   .6378  .1906  .2592       .030
Wat33  .9360  .9495  .2070       .039
Wat34  .7066  .0567  .5652       .040
Wat1   .7537   .575  .5494       .127
Wat2   .0590   .262  .3009  .79  .051
Wat3   .6897   .437  .4620       .222
Wat4   .8561  .2970  .4726       .059
Wat5   .0257  .7097  .3540       .058
Wat6   .6256   .976  .9140       .063
Wat7   .7539   .061  .4649  .87  .113
Wat8   .9148  .5260  .3746       .057
Wat9   .9876  .4232  .3414      .0385
Wat10  .6602  .0783  .9864       .042
Wat11  .6984   .244  .0598  .71  .043
Wat12  .9490   .431  .2495  .78  .088
Wat13  .0333   .941  .2586       .119
Wat14  .6584   .801  .4074  .25  .057
Wat15  .4078   .743  .3461  .66   .17
Download AMC data (View Text File)
Download CIF data (View Text File)
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View JMOL 3-D Structure (permalink)
 
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Total number of retrieved datasets: 2
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