American Mineralogist Crystal Structure Database

4 matching records for this search.

Birchite
 
Elliot P, Brugger J, Pring A, Cole M L, Willis A C, Kolitsch U
Download am/vol93/AM93_910.pdf
American Mineralogist 93 (2008) 910-917
Birchite, a new mineral from Broken Hill, New South Wales, Australia:
Description and structure refinement
Locality: Block 14 Opencut, Broken Hill, New South Wales, Australia
_database_code_amcsd 0004585
10.4768 20.8938 6.1640 90 90 90 Pnma
atom      x      y      z  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Cd   .90709 .60270 .54392 .0237  .0252  .0243  .0216 -.0024  .0028 -.0007
Cu   .10856 .56327 .12074 .0192  .0231  .0232  .0113 -.0005 -.0001  .0042
P     .1735 .54334  .6333 .0163  .0201  .0177  .0111 -.0012  .0002  .0014
S     .9468    .75  .7596 .0239   .027  .0210   .024      0  .0003      0
O1    .9880    .75  .9852  .034   .029   .044   .028      0  -.017      0
O2    .8066    .75  .7490  .024   .029   .026   .017      0  -.004      0
O3    .9999  .6926  .6491  .038   .031   .033   .052  -.015   .010   .002
O4    .2888  .5865  .6574 .0202   .022   .019   .020  -.008   .001  -.004
O5    .0764  .5489  .8175 .0196   .016   .032   .010  -.008   .002   .004
O6    .2181  .4729  .6099 .0191   .022   .018   .017  -.003   .000   .008
O7    .0925  .5617  .4298 .0192   .022   .027   .009   .003  -.004   .004
Wat1  .9503  .6211  .1418 .0218   .031   .019   .015  -.003  -.004   .004
Wat2  .2212  .6593  .0593 .0211   .017   .020   .026   .007  -.001   .001
Wat3  .6947    .75  .1385  .030   .028   .040   .023      0   .001      0
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View JMOL 3-D Structure (permalink)
 
Plimerite
Download hom/plimerite.pdf
Elliot P, Kolitsch U, Giester G, Libowitzky E, McCammon C, Pring A, Birch W D, Brugger J
 
Mineralogical Magazine 73 (2009) 131-148
Description and crystal structure of a new mineral - plimerite, ZnFe3+4(PO4)3(OH)5 - the
Zn-analogue of rockbridgeite and frondelite, from Broken Hill, New South Wales, Australia
Locality: Broken Hill, New South Wales, Australia
_database_code_amcsd 0014590
13.865 16.798 5.151 90 90 90 Bbmm
atom       x      y      z occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
FeM1       0     .5      0     .0091  .0095  .0074  .0103      0      0 -.0004
ZnM2  .06888 .65849      0 .58 .0168  .0158  .0086  .0259      0      0 -.0005
FeM2  .06888 .65849      0 .42 .0168  .0158  .0086  .0259      0      0 -.0005
FeM3  .32193 .63906  .2323 .94 .0087  .0095  .0068  .0097  .0001  .0014 -.0007
AlM3  .32193 .63906  .2323 .06 .0087  .0095  .0068  .0097  .0001  .0014 -.0007
P1    .14325 .54388     .5     .0096  .0091  .0056  .0141      0      0 -.0004
P2    .48312    .75      0     .0120  .0112  .0072  .0176      0      0      0
O1     .5464    .75 -.2479     .0201   .020  .0146   .025      0  .0123      0
O2     .0811 .55837  .2562     .0151  .0146  .0189  .0117  .0004 -.0038 -.0050
OH3    .3147    .75  .3801     .0144   .019   .008   .016      0   .008      0
O4     .1813  .4595     .5     .0278   .019  .0082   .056      0      0  .0042
OH5    .2154  .6745      0     .0198  .0139  .0099   .036      0      0  .0025
OH6    .0749  .3947      0     .0137  .0131  .0151  .0131      0      0  .0034
O7     .4211  .6745      0     .0160   .017  .0096   .021      0      0 -.0043
O8     .2238  .6063     .5     .0126  .0123  .0105  .0150      0      0 -.0020
Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Plimerite
Download hom/plimerite.pdf
Elliot P, Kolitsch U, Giester G, Libowitzky E, McCammon C, Pring A, Birch W D, Brugger J
 
Mineralogical Magazine 73 (2009) 131-148
Description and crystal structure of a new mineral - plimerite, ZnFe3+4(PO4)3(OH)5 - the
Zn-analogue of rockbridgeite and frondelite, from Broken Hill, New South Wales, Australia
Locality: Broken Hill, New South Wales, Australia
_database_code_amcsd 0014590
13.865 16.798 5.151 90 90 90 Bbmm
atom       x      y      z occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
FeM1       0     .5      0     .0091  .0095  .0074  .0103      0      0 -.0004
ZnM2  .06888 .65849      0 .58 .0168  .0158  .0086  .0259      0      0 -.0005
FeM2  .06888 .65849      0 .42 .0168  .0158  .0086  .0259      0      0 -.0005
FeM3  .32193 .63906  .2323 .94 .0087  .0095  .0068  .0097  .0001  .0014 -.0007
AlM3  .32193 .63906  .2323 .06 .0087  .0095  .0068  .0097  .0001  .0014 -.0007
P1    .14325 .54388     .5     .0096  .0091  .0056  .0141      0      0 -.0004
P2    .48312    .75      0     .0120  .0112  .0072  .0176      0      0      0
O1     .5464    .75 -.2479     .0201   .020  .0146   .025      0  .0123      0
O2     .0811 .55837  .2562     .0151  .0146  .0189  .0117  .0004 -.0038 -.0050
OH3    .3147    .75  .3801     .0144   .019   .008   .016      0   .008      0
O4     .1813  .4595     .5     .0278   .019  .0082   .056      0      0  .0042
OH5    .2154  .6745      0     .0198  .0139  .0099   .036      0      0  .0025
OH6    .0749  .3947      0     .0137  .0131  .0151  .0131      0      0  .0034
O7     .4211  .6745      0     .0160   .017  .0096   .021      0      0 -.0043
O8     .2238  .6063     .5     .0126  .0123  .0105  .0150      0      0 -.0020
Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
 
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)
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: 4
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