American Mineralogist Crystal Structure Database

4 matching records for this search.

Boralsilite
 
Grew E S, Graetsch H A, Poter B, Yates M G, Buick I, Bernhardt H-J, Schreyer W,
Werding G, Carson C J, Clarke G L
Download am/vol93/AM93_283.pdf
American Mineralogist 93 (2008) 283-299
Boralsilite, Al16B6Si2O37, and "boron-mullite:" compositional variations and
associated phases in experiment and nature
Locality: synthetic
Sample: run W2
_database_code_amcsd 0004524
14.797 5.5800 15.095 90 91.750 90 C2/m
atom    x    y    z occ Uiso
Al1  .868    0 .343     .030
Al2  .814    0 .160     .024
Al3  .574    0 .074     .021
Al4  .676    0 .339     .012
Al5  .004 .255 .246     .019
Al6   .75  .25    0     .017
Al7   .75  .25   .5     .010
Si   .424    0 .419 .86 .007
B    .424    0 .419 .14 .007
B1   .096    0 .098     .007
B2   .379    0 .118 .88 .007
Si2  .379    0 .118 .12 .007
B3   .138    0 .360     .007
O1   .764    0 .269     .010
O2   .798    0 .440     .010
O3   .919    0 .218     .010
O4   .936 .739 .357     .010
O5      0   .5   .5     .010
O6   .325    0 .457     .010
O7   .322 .214 .106     .010
O8   .702    0 .074     .010
O9   .068 .214 .134     .010
O10  .452    0 .048     .010
O11  .166 .214 .397     .010
O12  .578    0 .280     .010
O13  .421    0 .204     .010
O14  .069    0 .296     .010
O15  .167    0 .041     .010
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Dravite
Download hom/dravite.pdf
Hughes J M, Rakovan J, Ertl A, Rossman G R, Baksheev I, Bernhardt H-J
 
The Canadian Mineralogist 49 (2011) 29-40
Dissymmetrization in tourmaline: the atomic arrangement of sectorally zoned
triclinic Ni-bearing dravite
Locality: Berezovskoe gold deposit, Middle Urals, Russia
_database_code_amcsd 0018457
15.903 15.9118 7.2304 90.063 89.793 119.742 P1
atom     x     y      z  occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Na1      0     0    .25  .96 .0267   .026   .028   .026   .013   .005   .004
Sia  .8575 .5240  .3510      .0047  .0037  .0046  .0053  .0016  .0009  .0011
Sib  .6633 .5231  .3490      .0050  .0051  .0047  .0057  .0030  .0010  .0004
Sic  .4768 .3355  .3508      .0052  .0043  .0049  .0064  .0024  .0015  .0012
Sid  .8564 .3355  .3542      .0049  .0046  .0052  .0056  .0029  .0002  .0017
Sie  .6634 .1423  .3543      .0048  .0039  .0051  .0057  .0024  .0008  .0020
Sif  .4762 .1422  .3527      .0049  .0044  .0048  .0060  .0028  .0016  .0020
AlaY .6049 .3939 -.0125 .292 .0084  .0060  .0070  .0105  .0020  .0021 -.0003
MgaY .6049 .3939 -.0125 .344 .0084  .0060  .0070  .0105  .0020  .0021 -.0003
FeaY .6049 .3939 -.0125 .364 .0084  .0060  .0070  .0105  .0020  .0021 -.0003
AlbY .7891 .3944 -.0098 .375 .0078  .0072  .0060  .0110  .0038 -.0009  .0015
MgbY .7891 .3944 -.0098 .344 .0078  .0072  .0060  .0110  .0038 -.0009  .0015
CrbY .7891 .3944 -.0098 .022 .0078  .0072  .0060  .0110  .0038 -.0009  .0015
FebY .7891 .3944 -.0098 .269 .0078  .0072  .0060  .0110  .0038 -.0009  .0015
AlcY .6043 .2097 -.0088 .399 .0071  .0050  .0072  .0096  .0036  .0029  .0041
MgcY .6043 .2097 -.0088 .098 .0071  .0050  .0072  .0096  .0036  .0029  .0041
CrcY .6043 .2097 -.0088 .238 .0071  .0050  .0072  .0096  .0036  .0029  .0041
NicY .6043 .2097 -.0088 .112 .0071  .0050  .0072  .0096  .0036  .0029  .0041
AlaZ .6305 .7026  .2960 .936 .0034  .0031  .0033  .0036  .0014  .0005 -.0000
MgaZ .6305 .7026  .2960 .064 .0034  .0031  .0033  .0036  .0014  .0005 -.0000
AlbZ .9632 .7024  .6287 .801 .0048  .0037  .0051  .0053  .0020  .0021  .0019
MgbZ .9632 .7024  .6287 .166 .0048  .0037  .0051  .0053  .0020  .0021  .0019
NibZ .9632 .7024  .6287 .033 .0048  .0037  .0051  .0053  .0020  .0021  .0019
AlcZ .0715 .7027  .2956 .946 .0046  .0052  .0050  .0040  .0029  .0006  .0006
MgcZ .0715 .7027  .2956 .045 .0046  .0052  .0050  .0040  .0029  .0006  .0006
NicZ .0715 .7027  .2956 .010 .0046  .0052  .0050  .0040  .0029  .0006  .0006
AldZ .7381 .7022  .6284 .387 .0065  .0066  .0072  .0073  .0047  .0011  .0021
MgdZ .7381 .7022  .6284 .542 .0065  .0066  .0072  .0073  .0047  .0011  .0021
VdZ  .7381 .7022  .6284 .031 .0065  .0066  .0072  .0073  .0047  .0011  .0021
FedZ .7381 .7022  .6284 .002 .0065  .0066  .0072  .0073  .0047  .0011  .0021
TidZ .7381 .7022  .6284 .039 .0065  .0066  .0072  .0073  .0047  .0011  .0021
AleZ .9629 .2613  .6289 .915 .0043  .0027  .0059  .0047  .0024  .0018  .0024
MgeZ .9629 .2613  .6289 .082 .0043  .0027  .0059  .0047  .0024  .0018  .0024
NieZ .9629 .2613  .6289 .003 .0043  .0027  .0059  .0047  .0024  .0018  .0024
AlfZ .9643 .5948 -.0380 .629 .0061  .0060  .0080  .0057  .0044  .0003  .0018
MgfZ .9643 .5948 -.0380 .316 .0061  .0060  .0080  .0057  .0044  .0003  .0018
CrfZ .9643 .5948 -.0380 .055 .0061  .0060  .0080  .0057  .0044  .0003  .0018
B1   .7805 .8905  .4686      .0082   .009   .010   .008   .006   .002   .003
B2   .7752 .5522 -.1934      .0075   .006   .009   .007   .004   .002   .002
B3   .1099 .8892  .4754      .0081   .006   .006   .010   .001   .003   .005
O1a  .6653 .3307  .1192      .0127   .013   .014   .013   .008   .001  -.001
O2a  .5448 .2700 -.1586      .0010   .006   .011   .010   .003   .002   .003
O2b  .7259 .2699 -.1543      .0100   .010   .012   .011   .008   .001   .003
O2c  .7278 .4539 -.1604      .0099   .009   .007   .012   .003   .002  -.000
O3a  .5351 .4637 -.1352      .0125   .014   .012   .003   .000   .001   .001
H3a   .529  .453  -.229        .00
O3b  .8763 .7469  .5287      .0148   .017   .026   .005   .013   .001  -.000
H3b   .874  .744    .45        .02
O3c  .9251 .4605 -.1374      .0138   .029   .020   .003   .020   .000   .001
H3c   .926  .460  -.251        .05
O4a  .7604 .5238  .4208      .0100   .005   .016   .011   .007   .001   .000
O4b  .4790 .2406  .4255      .0114   .021   .007   .011   .011   .004   .004
O4c  .7567 .2427  .4238      .0111   .006   .008   .010  -.003   .002   .003
O5a  .5747 .4248  .4424      .0091   .005   .006   .012  -.001  -.003   .003
O5b  .5714 .1463  .4485      .0093   .008   .015   .009   .009   .001   .003
O5c  .8500 .4268  .4448      .0093   .013   .007   .011   .007   .002   .002
O6a  .8593 .5164  .1291      .0110   .014   .015   .007   .009   .000  -.001
O6b  .6548 .5166  .1270      .0098   .011   .011   .006   .004  -.002  -.002
O6c  .6554 .1393  .1324      .0089   .011   .012   .005   .007  -.001   .003
O6d  .8617 .3445  .1315       .007   .009   .009   .004   .005   .002   .003
O6e  .4813 .3429  .1281      .0085   .008   .009   .008   .004   .002   .003
O6f  .4853 .1433  .1326      .0098   .011   .011   .008   .006   .005   .003
O7a  .6611 .6166  .4212      .0102   .014   .008   .011   .007   .002   .001
O7b  .9524 .6191  .4257      .0081   .006   .006   .007  -.001  -.002  -.002
O7c  .6685 .0509  .4318      .0088   .010   .008   .011   .006   .004   .007
O7d  .3797 .0487  .4263      .0072   .005   .007   .009   .003   .002   .002
O7e  .3823 .3351  .4271      .0107   .004   .014   .014   .005   .003  -.001
O7f  .9468 .3308  .4354      .0103   .011   .014   .010   .009  -.003   .001
O8a  .8742 .6019 -.2133      .0123   .007   .012   .020   .006   .006   .006
O8b  .0620 .7907  .4573      .0100   .007   .008   .012   .001   .003  -.003
O8c  .2088 .9398  .4606      .0084   .007   .005   .010   .001   .003  -.001
O8d  .7297 .7924  .4452      .0103   .011   .008   .015   .006  -.004  -.002
O8e  .0652 .6082  .1286      .0100   .011   .007   .014   .006  -.002  -.001
O8f  .0591 .2678  .4669      .0107   .009   .009   .015  .0054  .0032  .0038
Na1  .3333 .6667  .9167  .96 .0267   .026   .028   .026   .013   .005   .004
Sia  .1908 .1907  .0177      .0047  .0037  .0046  .0053  .0016  .0009  .0011
Sib  .9966 .1898  .0157      .0050  .0051  .0047  .0057  .0030  .0010  .0004
Sic  .8101 .0022  .0175      .0052  .0043  .0049  .0064  .0024  .0015  .0012
Sid  .1897 .0022  .0209      .0049  .0046  .0052  .0056  .0029  .0002  .0017
Sie  .9967 .8090  .0210      .0048  .0039  .0051  .0057  .0024  .0008  .0020
Sif  .8095 .8089  .0194      .0049  .0044  .0048  .0060  .0028  .0016  .0020
AlaY .9382 .0606  .6542 .292 .0084  .0060  .0070  .0105  .0020  .0021 -.0003
MgaY .9382 .0606  .6542 .344 .0084  .0060  .0070  .0105  .0020  .0021 -.0003
FeaY .9382 .0606  .6542 .364 .0084  .0060  .0070  .0105  .0020  .0021 -.0003
AlbY .1224 .0611  .6569 .375 .0078  .0072  .0060  .0110  .0038 -.0009  .0015
MgbY .1224 .0611  .6569 .344 .0078  .0072  .0060  .0110  .0038 -.0009  .0015
CrbY .1224 .0611  .6569 .022 .0078  .0072  .0060  .0110  .0038 -.0009  .0015
FebY .1224 .0611  .6569 .269 .0078  .0072  .0060  .0110  .0038 -.0009  .0015
AlcY .9376 .8764  .6579 .399 .0071  .0050  .0072  .0096  .0036  .0029  .0041
MgcY .9376 .8764  .6579 .098 .0071  .0050  .0072  .0096  .0036  .0029  .0041
CrcY .9376 .8764  .6579 .238 .0071  .0050  .0072  .0096  .0036  .0029  .0041
NicY .9376 .8764  .6579 .112 .0071  .0050  .0072  .0096  .0036  .0029  .0041
AlaZ .9638 .3693  .9627 .936 .0034  .0031  .0033  .0036  .0014  .0005 -.0000
MgaZ .9638 .3693  .9627 .064 .0034  .0031  .0033  .0036  .0014  .0005 -.0000
AlbZ .2965 .3691  .2954 .801 .0048  .0037  .0051  .0053  .0020  .0021  .0019
MgbZ .2965 .3691  .2954 .166 .0048  .0037  .0051  .0053  .0020  .0021  .0019
NibZ .2965 .3691  .2954 .033 .0048  .0037  .0051  .0053  .0020  .0021  .0019
AlcZ .4048 .3694  .9623 .946 .0046  .0052  .0050  .0040  .0029  .0006  .0006
MgcZ .4048 .3694  .9623 .045 .0046  .0052  .0050  .0040  .0029  .0006  .0006
NicZ .4048 .3694  .9623 .010 .0046  .0052  .0050  .0040  .0029  .0006  .0006
AldZ .0714 .3689  .2951 .387 .0065  .0066  .0072  .0073  .0047  .0011  .0021
MgdZ .0714 .3689  .2951 .542 .0065  .0066  .0072  .0073  .0047  .0011  .0021
VdZ  .0714 .3689  .2951 .031 .0065  .0066  .0072  .0073  .0047  .0011  .0021
FedZ .0714 .3689  .2951 .002 .0065  .0066  .0072  .0073  .0047  .0011  .0021
TidZ .0714 .3689  .2951 .039 .0065  .0066  .0072  .0073  .0047  .0011  .0021
AleZ .2962 .9280  .2956 .915 .0043  .0027  .0059  .0047  .0024  .0018  .0024
MgeZ .2962 .9280  .2956 .082 .0043  .0027  .0059  .0047  .0024  .0018  .0024
NieZ .2962 .9280  .2956 .003 .0043  .0027  .0059  .0047  .0024  .0018  .0024
AlfZ .2976 .2615  .6287 .629 .0061  .0060  .0080  .0057  .0044  .0003  .0018
MgfZ .2976 .2615  .6287 .316 .0061  .0060  .0080  .0057  .0044  .0003  .0018
CrfZ .2976 .2615  .6287 .055 .0061  .0060  .0080  .0057  .0044  .0003  .0018
B1   .1138 .5572  .1353      .0082   .009   .010   .008   .006   .002   .003
B2   .1085 .2189  .4733      .0075   .006   .009   .007   .004   .002   .002
B3   .4432 .5559  .1421      .0081   .006   .006   .010   .001   .003   .005
O1a  .9986 .9974  .7859      .0127   .013   .014   .013   .008   .001  -.001
O2a  .8781 .9367  .5081      .0010   .006   .011   .010   .003   .002   .003
O2b  .0592 .9366  .5124      .0100   .010   .012   .011   .008   .001   .003
O2c  .0611 .1206  .5063      .0099   .009   .007   .012   .003   .002  -.000
O3a  .8684 .1304  .5315      .0125   .014   .012   .003   .000   .001   .001
H3a  .8623 .1197  .4377        .00
O3b  .2096 .4136  .1954      .0148   .017   .026   .005   .013   .001  -.000
H3b  .2073 .4107  .1167        .02
O3c  .2584 .1272  .5293      .0138   .029   .020   .003   .020   .000   .001
H3c  .2593 .1267  .4157        .05
O4a  .0937 .1905  .0875      .0100   .005   .016   .011   .007   .001   .000
O4b  .8123 .9073  .0922      .0114   .021   .007   .011   .011   .004   .004
O4c  .0900 .9094  .0905      .0111   .006   .008   .010  -.003   .002   .003
O5a  .9080 .0915  .1091      .0091   .005   .006   .012  -.001  -.003   .003
O5b  .9047 .8130  .1152      .0093   .008   .015   .009   .009   .001   .003
O5c  .1833 .0935  .1115      .0093   .013   .007   .011   .007   .002   .002
O6a  .1926 .1831  .7958      .0110   .014   .015   .007   .009   .000  -.001
O6b  .9881 .1833  .7937      .0098   .011   .011   .006   .004  -.002  -.002
O6c  .9887 .8060  .7991      .0089   .011   .012   .005   .007  -.001   .003
O6d  .1950 .0112  .7982       .007   .009   .009   .004   .005   .002   .003
O6e  .8146 .0096  .7948      .0085   .008   .009   .008   .004   .002   .003
O6f  .8186 .8100  .7993      .0098   .011   .011   .008   .006   .005   .003
O7a  .9944 .2833  .0879      .0102   .014   .008   .011   .007   .002   .001
O7b  .2857 .2858  .0924      .0081   .006   .006   .007  -.001  -.002  -.002
O7c  .0018 .7176  .0985      .0088   .010   .008   .011   .006   .004   .007
O7d  .7130 .7154  .0930      .0072   .005   .007   .009   .003   .002   .002
O7e  .7156 .0018  .0938      .0107   .004   .014   .014   .005   .003  -.001
O7f  .2801 .9975  .1021      .0103   .011   .014   .010   .009  -.003   .001
O8a  .2075 .2686  .4534      .0123   .007   .012   .020   .006   .006   .006
O8b  .3953 .4574  .1240      .0100   .007   .008   .012   .001   .003  -.003
O8c  .5421 .6065  .1273      .0084   .007   .005   .010   .001   .003  -.001
O8d  .0630 .4591  .1119      .0103   .011   .008   .015   .006  -.004  -.002
O8e  .3985 .2749  .7953      .0100   .011   .007   .014   .006  -.002  -.001
O8f  .3924 .9345  .1336      .0107   .009   .009   .015  .0054  .0032  .0038
Na1  .6667 .3333  .5833  .96 .0267   .026   .028   .026   .013   .005   .004
Sia  .5242 .8573  .6843      .0047  .0037  .0046  .0053  .0016  .0009  .0011
Sib  .3300 .8564  .6823      .0050  .0051  .0047  .0057  .0030  .0010  .0004
Sic  .1435 .6688  .6841      .0052  .0043  .0049  .0064  .0024  .0015  .0012
Sid  .5231 .6688  .6875      .0049  .0046  .0052  .0056  .0029  .0002  .0017
Sie  .3301 .4756  .6876      .0048  .0039  .0051  .0057  .0024  .0008  .0020
Sif  .1429 .4755  .6860      .0049  .0044  .0048  .0060  .0028  .0016  .0020
AlaY .2716 .7272  .3208 .292 .0084  .0060  .0070  .0105  .0020  .0021 -.0003
MgaY .2716 .7272  .3208 .344 .0084  .0060  .0070  .0105  .0020  .0021 -.0003
FeaY .2716 .7272  .3208 .364 .0084  .0060  .0070  .0105  .0020  .0021 -.0003
AlbY .4558 .7277  .3235 .375 .0078  .0072  .0060  .0110  .0038 -.0009  .0015
MgbY .4558 .7277  .3235 .344 .0078  .0072  .0060  .0110  .0038 -.0009  .0015
CrbY .4558 .7277  .3235 .022 .0078  .0072  .0060  .0110  .0038 -.0009  .0015
FebY .4558 .7277  .3235 .269 .0078  .0072  .0060  .0110  .0038 -.0009  .0015
AlcY .2710 .5430  .3245 .399 .0071  .0050  .0072  .0096  .0036  .0029  .0041
MgcY .2710 .5430  .3245 .098 .0071  .0050  .0072  .0096  .0036  .0029  .0041
CrcY .2710 .5430  .3245 .238 .0071  .0050  .0072  .0096  .0036  .0029  .0041
NicY .2710 .5430  .3245 .112 .0071  .0050  .0072  .0096  .0036  .0029  .0041
AlaZ .2972 .0359  .6293 .936 .0034  .0031  .0033  .0036  .0014  .0005 -.0000
MgaZ .2972 .0359  .6293 .064 .0034  .0031  .0033  .0036  .0014  .0005 -.0000
AlbZ .6299 .0357  .9620 .801 .0048  .0037  .0051  .0053  .0020  .0021  .0019
MgbZ .6299 .0357  .9620 .166 .0048  .0037  .0051  .0053  .0020  .0021  .0019
NibZ .6299 .0357  .9620 .033 .0048  .0037  .0051  .0053  .0020  .0021  .0019
AlcZ .7382 .0360  .6289 .946 .0046  .0052  .0050  .0040  .0029  .0006  .0006
MgcZ .7382 .0360  .6289 .045 .0046  .0052  .0050  .0040  .0029  .0006  .0006
NicZ .7382 .0360  .6289 .010 .0046  .0052  .0050  .0040  .0029  .0006  .0006
AldZ .4048 .0355  .9617 .387 .0065  .0066  .0072  .0073  .0047  .0011  .0021
MgdZ .4048 .0355  .9617 .542 .0065  .0066  .0072  .0073  .0047  .0011  .0021
VdZ  .4048 .0355  .9617 .031 .0065  .0066  .0072  .0073  .0047  .0011  .0021
FedZ .4048 .0355  .9617 .002 .0065  .0066  .0072  .0073  .0047  .0011  .0021
TidZ .4048 .0355  .9617 .039 .0065  .0066  .0072  .0073  .0047  .0011  .0021
AleZ .6296 .5946  .9622 .915 .0043  .0027  .0059  .0047  .0024  .0018  .0024
MgeZ .6296 .5946  .9622 .082 .0043  .0027  .0059  .0047  .0024  .0018  .0024
NieZ .6296 .5946  .9622 .003 .0043  .0027  .0059  .0047  .0024  .0018  .0024
AlfZ .6310 .9281  .2953 .629 .0061  .0060  .0080  .0057  .0044  .0003  .0018
MgfZ .6310 .9281  .2953 .316 .0061  .0060  .0080  .0057  .0044  .0003  .0018
CrfZ .6310 .9281  .2953 .055 .0061  .0060  .0080  .0057  .0044  .0003  .0018
B1   .4472 .2238  .8019      .0082   .009   .010   .008   .006   .002   .003
B2   .4419 .8855  .1399      .0075   .006   .009   .007   .004   .002   .002
B3   .7766 .2225  .8087      .0081   .006   .006   .010   .001   .003   .005
O1a  .3320 .6640  .4525      .0127   .013   .014   .013   .008   .001  -.001
O2a  .2115 .6033  .1747      .0010   .006   .011   .010   .003   .002   .003
O2b  .3926 .6032  .1790      .0100   .010   .012   .011   .008   .001   .003
O2c  .3945 .7872  .1729      .0099   .009   .007   .012   .003   .002  -.000
O3a  .2018 .7970  .1981      .0125   .014   .012   .003   .000   .001   .001
H3a  .1957 .7863  .1043        .00
O3b  .5430 .0802  .8620      .0148   .017   .026   .005   .013   .001  -.000
H3b  .5407 .0773  .7833        .02
O3c  .5918 .7938  .1959      .0138   .029   .020   .003   .020   .000   .001
H3c  .5927 .7933  .0823        .05
O4a  .4271 .8571  .7541      .0100   .005   .016   .011   .007   .001   .000
O4b  .1457 .5739  .7588      .0114   .021   .007   .011   .011   .004   .004
O4c  .4234 .5760  .7571      .0111   .006   .008   .010  -.003   .002   .003
O5a  .2414 .7581  .7757      .0091   .005   .006   .012  -.001  -.003   .003
O5b  .2381 .4796  .7818      .0093   .008   .015   .009   .009   .001   .003
O5c  .5167 .7601  .7781      .0093   .013   .007   .011   .007   .002   .002
O6a  .5260 .8497  .4624      .0110   .014   .015   .007   .009   .000  -.001
O6b  .3215 .8499  .4603      .0098   .011   .011   .006   .004  -.002  -.002
O6c  .3221 .4726  .4657      .0089   .011   .012   .005   .007  -.001   .003
O6d  .5284 .6778  .4648       .007   .009   .009   .004   .005   .002   .003
O6e  .1480 .6762  .4614      .0085   .008   .009   .008   .004   .002   .003
O6f  .1520 .4766  .4659      .0098   .011   .011   .008   .006   .005   .003
O7a  .3278 .9499  .7545      .0102   .014   .008   .011   .007   .002   .001
O7b  .6191 .9524  .7590      .0081   .006   .006   .007  -.001  -.002  -.002
O7c  .3352 .3842  .7651      .0088   .010   .008   .011   .006   .004   .007
O7d  .0464 .3820  .7596      .0072   .005   .007   .009   .003   .002   .002
O7e  .0490 .6684  .7604      .0107   .004   .014   .014   .005   .003  -.001
O7f  .6135 .6641  .7687      .0103   .011   .014   .010   .009  -.003   .001
O8a  .5409 .9352  .1200      .0123   .007   .012   .020   .006   .006   .006
O8b  .7287 .1240  .7906      .0100   .007   .008   .012   .001   .003  -.003
O8c  .8755 .2731  .7939      .0084   .007   .005   .010   .001   .003  -.001
O8d  .3964 .1257  .7785      .0103   .011   .008   .015   .006  -.004  -.002
O8e  .7319 .9415  .4619      .0100   .011   .007   .014   .006  -.002  -.001
O8f  .7258 .6011  .8002      .0107   .009   .009   .015  .0054  .0032  .0038
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Skorpionite
 
Krause W, Effenberger H, Bernhardt H-J, Medenbach O
 
European Journal of Mineralogy 20 (2008) 271-280
Skorpionite, Ca3Zn2(PO4)2CO3(OH)2*H2O, a new mineral from Namibia: description
and crystal structure
Locality: near Rosh Pinah mine, Luderitz district, Karas region, Namibia, Africa
_database_code_amcsd 0007259
19.045 9.320 6.525 90 92.73 90 C2/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)
Zn   .170688 .04391 .41120     .01552 .01380 .01906 .01365 -.00242 .00023 .00474
Ca1        0 .59791    .25     .01225 .01049 .01400 .01221       0 .00018      0
Ca2  .164189 .33537 .12171     .01213 .01232 .01235 .01180  .00026 .00120 .00159
P    .178044 .66662 .15062     .01057 .01002 .01247 .00924 -.00065 .00058 .00006
C          0  .2818    .25      .0136  .0134  .0137  .0138       0  .0031      0
O1p   .21612 .76680  .3030      .0160  .0148  .0212  .0118  -.0046 -.0005 -.0024
O2p   .22778 .55013  .0690      .0154  .0125  .0145  .0195   .0006  .0028 -.0010
O3p   .12142 .58406  .2629      .0148  .0111  .0188  .0146  -.0018  .0020  .0023
O4p   .14517 .74825 -.0352      .0150  .0175  .0159  .0115  -.0002 -.0019  .0018
O1c        0 .14635    .25      .0238  .0209  .0124  .0390       0  .0109      0
O2c   .02937 .35493  .1068      .0157  .0161  .0184  .0128  -.0023  .0025  .0017
Oh    .13476 .07351  .1247      .0131  .0122  .0152  .0119   .0013  .0011 -.0016
Ow1     .000   .850   .201 .25   .033   .063   .008   .028    .005  -.011  -.008
Ow2    .0110   .848   .216 .25   .030   .046   .027   .016    .001   .009   .001
Hh     .0928   .082   .134       .002
Hw1        0   .924    .25       .018
Hw2     .002   .851   .066  .5   .018
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Pattersonite
 
Kolitsch U, Bernhardt H-J, Krause W, Blass G
 
European Journal of Mineralogy 20 (2008) 281-288
Pattersonite, PbFe3(PO4)2(OH)4[(H2O)0.5(OH)0.5]2, a new supergene phosphate
mineral: description and crystal structure
Locality: Grube Vereinigung, near Eisenbach, Taunus, Hesse, Germany
_database_code_amcsd 0007260
5.309 7.211 7.349 87.74 86.38 71.40 P-1
atom      x     y     z occ   Uiso U(1,1) U(2,2) U(3,3)  U(1,2)  U(1,3)  U(2,3)
Pb       .5    .5    .5     .01253  .0125  .0115  .0117 -.00119 -.00072 -.00024
Fe1       0     0     0      .0170  .0109  .0309  .0126  -.0108   .0040  -.0129
Fe2       0     0    .5      .0230  .0364  .0382  .0087  -.0329   .0072  -.0057
Fe3      .5    .5     0      .0148  .0085  .0288  .0096  -.0091   .0011  -.0064
P     .0503 .3543 .2244      .0218  .0145  .0432  .0155  -.0201   .0082  -.0159
O1    .1548 .1912 .0863      .0212
O2   -.2259 .4935 .1806      .0271
O3    .2545 .4655 .2197      .0202
O4    .0199 .2705 .4171      .0270
OH5   .1134 .0530 .7402      .0195
OH6   .3606 .7889 .0331      .0196
Wat7  -.388 .1309 .5814  .5   .041
OH7   -.388 .1309 .5814  .5   .041
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Total number of retrieved datasets: 4
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