American Mineralogist Crystal Structure Database

43 matching records for this search.

Ransomite
Download hom/ransomite.pdf
Wood M M
Download am/vol55/AM55_729.pdf
American Mineralogist 55 (1970) 729-734
The crystal structure of ransomite
Locality: United Verde mine, Jerome, Arizona, USA
_database_code_amcsd 0000203
4.811 16.217 10.403 90 93.02 90 P2_1/c
atom     x     y     z Biso
Cu       0     0     0 1.33
Fe   .7377 .6272 .0223  .81
S1   .7906 .2869 .1399  .82
S2   .2502 .5298 .1704  .60
O1   .0309 .2144 .5549 1.57
O2   .5880 .1470 .5927 1.62
O3   .6687 .2922 .6322 2.33
O4   .8927 .1906 .7713 2.05
O5   .1427 .4554 .0999 1.24
O6   .0705 .5999 .1405 1.25
O7   .5340 .5474 .1267 1.17
O8   .2717 .5128 .3098 1.58
Wat1 .7150 .0661 .9072 1.28
Wat2 .3508 .2814 .8570 1.18
Wat3 .1937 .1065 .0483 2.40
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Shattuckite
Download hom/shattuckite.pdf
Evans H T, Mrose M E
Download am/vol62/AM62_491.pdf
American Mineralogist 62 (1977) 491-502
The crystal chemistry of the hydrous copper silicates, shattuckite and
plancheite
Note: sample is from Ajo, Arizona
_database_code_amcsd 0000578
9.885 19.832 5.3825 90 90 90 Pcab
atom      x      y      z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Cu1      .5      0     .5  .0088  .0079  .0093 -.0032 -.0030  .0042
Cu2  .33090 .02547 .03970  .0095  .0080  .0073 -.0025 -.0014  .0020
Cu3  .25205 .28125 .46765  .0108  .0046  .0066  .0001 -.0025 -.0004
Si1  .54485 .13502  .2173  .0062  .0039  .0052 -.0004  .0014  .0006
Si2  .39742 .15706  .7265  .0064  .0034  .0053  .0001 -.0002  .0003
O1    .5054  .0554  .1996  .0105  .0051  .0067 -.0038 -.0029  .0031
O2    .3426  .0805  .7439  .0157  .0032  .0119 -.0029 -.0022  .0024
O3    .7076  .1512  .2203  .0051  .0057  .0083 -.0024  .0005  .0018
O4    .4913  .1735  .9708  .0101  .0073  .0061 -.0014 -.0007 -.0010
O5    .4907  .1670  .4777  .0136  .0071  .0069  .0007  .0029 -.0037
O6    .2836  .2163  .7193  .0109  .0051  .0043  .0032 -.0023 -.0023
Oh7   .6779  .0243  .6426  .0091  .0059  .0069 -.0021  .0016 -.0002
H       .71   .435    .63
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Davidite-(La)
Download hom/daviditela.pdf
Gatehouse B M, Grey I E, Kelly P R
Download am/vol64/AM64_1010.pdf
American Mineralogist 64 (1979) 1010-1017
The crystal structure of davidite
Locality: Pandora Prospect, Quijotoa Mts., Pima County, Arizona, USA
_database_code_amcsd 0000749
9.190 9.190 9.190 68.73 68.73 68.73 R-3
atom      x     y     z  occ Biso
La(0)     0     0     0 .540 1.17
Ca(0)     0     0     0 .200 1.17
Sr(0)     0     0     0 .090 1.17
La(1)    .5    .5    .5 .370 0.53
U(1)     .5    .5    .5 .330 0.53
Y(1)     .5    .5    .5 .300 0.53
Fe(2) .3090 .3090 .3090 .790 0.47
Mg(2) .3090 .3090 .3090 .120 0.47
Fe(3) .3474 .1269 .0184 .762 0.51
Ti(3) .3474 .1269 .0184 .112 0.51
Cr(3) .3474 .1269 .0184 .035 0.51
Ti(4) .3086 .7218 .1448      0.34
Ti(5) .4749 .0775 .6444      0.30
O(1)  .2999 .6300 .3765      0.54
O(2)  .1486 .2347 .9391      0.49
O(3)  .9192 .4574 .3025      0.43
O(4)  .1446 .5137 .9897      0.55
O(5)  .3891 .4869 .1345      0.52
O(6)  .7131 .2404 .0688      0.48
O(7)  .2134 .2134 .2134      0.59
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Weeksite
Download hom/weeksite.pdf
Stohl F V, Smith D K
Download am/vol66/AM66_610.pdf
American Mineralogist 66 (1981) 610-625
The crystal chemistry of the uranyl silicate minerals
Locality: Anderson mine, Yavapai County, Arizona, USA
_database_code_amcsd 0000839
7.106 17.900 7.087 90 90 90 Amm2
atom    x    y    z
U1      0 .198    0
Si      0 .130 .523
O1    .25 .307 .546
O2      0 .180 .693
O2b     0 .180 .307
O3   .194 .071 .487
O4      0 .429 .473
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Dumortierite
Download hom/dumortierite.pdf
Alexander V D, Griffen D T, Martin T J
Download am/vol71/AM71_786.pdf
American Mineralogist 71 (1986) 786-794
Crystal chemistry of some Fe- and Ti-poor dumortierites
Sample: #2, BYU 12-5027, from Yuma Co., Arizona, USA
_database_code_amcsd 0001022
11.786 20.209 4.692 90 90 90 Pmcn
atom     x     y     z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Si1    .75 .4053 .0877      .0042  .0114  .0031      0      0  .0009
Si2  .5240 .3281 .5876 .99  .0082  .0070  .0032 -.0004  .0004  .0003
Al1    .75 .2502 .3981 .93  .0067  .0122  .0836      0      0 -.0043
Al2  .6103 .4722 .5573 .98  .0044  .0058  .0026  .0003 -.0003 -.0004
Al3  .4913 .4307 .0595 .97  .0044  .0048  .0018 -.0006  .0000  .0001
Al4  .3581 .2893 .0578 .99  .0073  .0075  .0053  .0011 -.0005 -.0002
B      .25 .4159 .2284      .0030  .0012  .0114      0      0  .0003
O1     .75 .4537 .3788      .0058  .0213  .0060      0      0 -.0038
O2     .75 .3258 .1488      .0102  .0216  .0099      0      0  .0024
O3   .6390 .4242 .8967      .0076  .0171  .0045 -.0006  .0002  .0022
O4   .4364 .2824 .4014      .0104  .0143  .0054 -.0025  .0021 -.0018
O5   .5496 .3933 .3972      .0135  .0070  .0061 -.0009 -.0015  .0005
O6   .4537 .3504 .8846      .0137  .0093  .0066 -.0021  .0030 -.0018
O7   .6396 .2868 .6479      .0154  .0129  .0091  .0016 -.0023  .0009
O8     .25 .3500 .1685      .0038  .0102  .0212      0      0 -.0032
O9   .3507 .4482 .2553      .0059  .0109  .0119 -.0041  .0011 -.0021
O10    .25 .2723 .7603      .0048  .0145  .0060      0      0 -.0022
O11  .4663 .4881 .7505      .0057  .0072  .0047  .0006  .0004  .0000
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Beryl
Download hom/beryl.pdf
Aurisicchio C, Fioravanti G, Grubessi O, Zanazzi P F
Download am/vol73/AM73_826.pdf
American Mineralogist 73 (1988) 826-837
Reappraisal of the crystal chemistry of beryl
Sample: 6
Locality: Mohave county, Arizona, USA
_database_code_amcsd 0001175
9.2531 9.2531 9.1918 90 90 120 P6/mcc
atom     x     y     z  occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Si1  .3863 .1139     0            .0051  .0046  .0036  .0026      0      0
Be      .5     0   .25 .959 .008
Li      .5     0   .25 .033 .008
Si2     .5     0   .25 .008 .008
Al     2/3   1/3   .25 .826       .0064  .0064  .0063  .0032      0      0
Fe1    2/3   1/3   .25  .02       .0064  .0064  .0063  .0032      0      0
Fe2    2/3   1/3   .25 .097       .0064  .0064  .0063  .0032      0      0
Mg     2/3   1/3   .25 .058       .0064  .0064  .0063  .0032      0      0
O1   .3064 .2326     0            .0143  .0120  .0172  .0103      0      0
O2   .4960 .1434 .1451            .0123  .0115  .0067  .0073 -.0026 -.0009
Na       0     0   .25 .315       .0321  .0321  .0239  .0161      0      0
Cs       0     0   .25  .04       .0321  .0321  .0239  .0161      0      0
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Chalcophanite
Download hom/chalcophanite.pdf
Post J E, Appleman D E
Download am/vol73/AM73_1401.pdf
American Mineralogist 73 (1988) 1401-1404
Chalcophanite, ZnMn3O7.3(H2O): New crystal-structure determinations
Locality: Bisbee, Arizona
Note: U(1,2) of O3 altered to match symmetry constraints
Note: H positions determined by energy modelling
_database_code_amcsd 0001204
7.533 7.533 20.794 90 90 120 R-3
atom      x      y      z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Mn   .71869 .57771 .99948  .0057  .0058  .0090  .0029  .0002  .0001
Zn        0      0 .09997  .0100  .0100  .0117  .0050      0      0
O1   .52784 .62297 .04721  .0098  .0083  .0080  .0050  .0000 -.0005
O2   .26077 .20655 .05048  .0097  .0095  .0122  .0055  .0028  .0026
O3        0      0 .71250  .0093  .0093  .0063 .00465      0      0
O4   .17900 .93107 .16435  .0152  .0182  .0160  .0073 -.0028  .0004
H1     .229   .025   .198
H2     .310   .940   .144
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Artroeite
Download hom/artroeite.pdf
Kampf A R, Foord E E
Download am/vol80/AM80_179.pdf
American Mineralogist 80 (1995) 179-183
Artroeite, PbAlF3(OH)2, a new mineral from the Grand Reef mine, Graham County,
Arizona: Description and crystal structure
_database_code_amcsd 0001717
6.270 6.821 5.057 90.68 107.69 104.46 P-1
atom      x      y      z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Pb   .30975 .19142 .20352      .00866 .00607  .0140 .00235 .00339 .00156
Al    .8110  .3273  .8364       .0085  .0047  .0100  .0016  .0031  .0012
F1    .7950  .1378  .5751        .017  .0069   .015  .0030   .009  .0003
F2    .7407  .4891  .5627        .012  .0081   .011  .0043   .002  .0028
F3    .5137  .2308  .8113        .009  .0105   .023  .0001   .006   .002
Oh1   .8629  .5514  .0981        .008  .0073   .013  .0027   .005   .001
Oh2   .8981  .1432  .0988        .010  .0076   .007  .0030   .003  .0021
H1     .807   .509   .253  .02
H2     .862   .122   .255  .02
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Carmichaelite
 
Wang L, Rouse R C, Essene E J, Peacor D R, Zhang Y
Download am/vol85/AM85_792.pdf
American Mineralogist 85 (2000) 792-800
Carmichaelite, a new hydroxyl-bearing titanate from Garnet Ridge, Arizona
_database_code_amcsd 0002458
7.706 4.5583 20.187 90 92.334 90 P2_1/c
atom     x    y     z  occ Biso
Ti1     .5    0     0       1.3
Ti2  .0562 .007 .3113  .94  .30
V2   .0562 .007 .3113  .06  .30
Ti3  .4128 .992 .3691 .975  .34
Nb3  .4128 .992 .3691 .025  .34
Ti4  .1328 .999 .9448       .57
Cr5  .3271 .000 .7396 .775  .65
Cr6  .2187 .016 .5747  .27   .7
Fe6  .2187 .016 .5747  .17   .7
Al6  .2187 .016 .5747  .18   .7
Mg7  .2799 .040 .2046  .14   .6
Fe8  .2375 .021 .1051  .31   .5
Mg8  .2375 .021 .1051  .16   .5
O1    .703 .293 .4866       2.5
O2    .259 .255 .8074       1.1
O3    .173 .283 .1637       2.1
O4    .807 .283 .1193       1.7
O5    .624 .215 .3502        .9
O6    .066 .252 .0206       2.6
O7    .355 .286 .4372       2.3
O8    .523 .253 .2140       2.7
O9    .889 .240 .2564        .9
O10   .986 .233 .3930       1.2
O11   .436 .283 .0731       2.3
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Alpersite
 
Peterson R C, Hammarstrom J M, Seal R R
Download am/vol91/AM91_261.pdf
American Mineralogist 91 (2006) 261-269
Alpersite (Mg,Cu)SO4*7H2O, a new mineral of the melanterite group, and cuprian
pentahydrite: Their occurrence within mine waste
Locality: Miami, Arizona, USA
_database_code_amcsd 0004015
14.189 6.547 10.830 90 105.872 90 P2_1/c
atom      x     y     z  occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Mg1       0     0     0 .845   .027   .024   .035   .003   .010   .004
Cu1       0     0     0 .155   .027   .024   .035   .003   .010   .004
Mg2      .5    .5     0 .265   .029  .0300  .0247  .0044  .0064  .0019
Cu2      .5    .5     0 .735   .029  .0300  .0247  .0044  .0064  .0019
S    .22865 .4672 .1741       .0307  .0310  .0363  .0006  .0102  .0003
O1    .2017 .4691 .0321        .049   .046   .030   .007   .008   .001
O2    .1444 .5431 .2181        .048   .050   .059   .015   .033   .012
O3    .3152 .6028 .2240        .047   .044   .050   .018   .009   .011
O4    .2538 .2569 .2221        .050   .036   .055   .008   .009   .007
Wat1  .1057 .3789 .4256        .067   .063   .064   .030   .037   .024
Wat2  .1047 .9562 .1773        .051   .043   .046   .004   .003   .003
Wat3  .0286 .7911 .4300        .045   .034   .050   .003   .011   .008
Wat4  .4814 .4530 .1737        .043   .048   .036   .004   .013   .001
Wat5  .4294 .2645 .4391        .049   .040   .043   .007   .007   .007
Wat6  .3480 .8390 .4413        .051   .053   .045   .008   .006   .007
Wat7  .3682 .0085 .1131        .049   .036   .049   .001   .008   .004
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Pentahydrite
Download hom/pentahydrite.pdf
Peterson R C, Hammarstrom J M, Seal R R
Download am/vol91/AM91_261.pdf
American Mineralogist 91 (2006) 261-269
Alpersite (Mg,Cu)SO4*7H2O, a new mineral of the melanterite group, and cuprian
pentahydrite: Their occurrence within mine waste
Locality: Miami, Arizona, USA
_database_code_amcsd 0004017
6.2470 10.5995 6.0395 82.530 109.408 104.794 P-1
atom     x     y     z occ Uiso
Mg1      0     0     0  .1 .056
Cu1      0     0     0  .9 .056
Mg2     .5    .5     0  .7 .037
Cu2     .5    .5     0  .3 .037
S    .0368 .2935 .6402     .039
O1    .911 .1662  .666     .037
O2    .263 .3227  .847     .037
O3    .872 .3720  .639     .037
O4    .053 .2958  .411     .037
Wat1  .821 .0687  .178     .037
Wat2  .312 .1161  .173     .037
Wat3  .535 .5917  .671     .037
Wat4  .230 .5917  .988     .037
Wat5  .446 .1289  .647     .037
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Aravaipaite
Download hom/aravaipaite.pdf
Kampf A R, Yang H, Downs R T, Pinch W W
 
American Mineralogist 96 (2011) 402-407
The crystal structures and Raman spectra of aravaipaite and calcioaravaipaite
Locality: Grand Reef mine, Aravaipa mining district, Arizona, USA
_database_code_amcsd 0018320
5.6637 5.8659 12.7041 98.725 94.020 90.683 P-1
atom      x      y       z   Uiso U(1,1) U(2,2) U(3,3)  U(1,2) U(1,3)  U(2,3)
Pb1  .30470 .11693  .36471 .01512 .01590 .01373 .01576  .00132 .00129  .00219
Pb2  .76753 .04754  .11751 .02400  .0365 .01645  .0190 -.00141 .00197  .00279
Pb3  .27468 .51132  .11789 .01756 .01676 .01772  .0179  .00000 .00200  .00137
Al    .7940  .6181   .3082  .0124  .0098  .0129  .0145   .0012  .0001   .0022
F1    .0486  .7745   .2740  .0265   .025   .026   .027   -.007   .013   -.006
F2    .7369  .5094   .1661  .0249   .027   .033   .014   -.002  -.001    .000
F3    .8488  .7199   .4455  .0290   .024   .047   .015    .000   .002    .001
F4    .5192  .4752   .3306  .0257   .022   .025   .031   -.009   .001    .007
F5    .6158  .8676   .2863  .0265   .030   .019   .034    .013   .013    .009
F6    .9587  .3635   .3170  .0394   .035   .032   .052    .016  -.005    .011
F7    .4996  .2430   .9924  .0188   .020   .017   .019   .0015   .000    .003
F8    .0007  .2475   .9953  .0176   .019   .020   .013   .0015 -.0028   .0019
F9    .2942  .1283   .1710  .0407   .083   .025   .014    .000   .000    .004
OW    .6621  .2257   .5128  .0200   .013   .020   .027    .000   .005    .000
H1     .597   .338    .555   .050
H2     .814   .253    .509   .050
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Calcioaravaipaite
Download hom/calcioaravaipaite.pdf
Kampf A R, Yang H, Downs R T, Pinch W W
 
American Mineralogist 96 (2011) 402-407
The crystal structures and Raman spectra of aravaipaite and calcioaravaipaite
Locality: Grand Reef mine, Aravaipa mining district, Arizona, USA
_database_code_amcsd 0018321
5.3815 5.3846 12.2034 91.364 101.110 91.525 P-1
atom      x      y       z   Uiso U(1,1) U(2,2) U(3,3)  U(1,2) U(1,3)  U(2,3)
Pb   .27238 .28211 .107209 .01678 .01998 .01783 .01279  .00242 .00367 -.00039
Ca1  .04213 .75777  .61450 .00876  .0094  .0074  .0095  .00025  .0019  .00039
Ca2  .44851 .73503  .38616 .00891  .0092  .0077  .0097 -.00027  .0016  .00065
Al   .20387 .20662  .81864 .00910  .0098  .0092  .0083  -.0003  .0017   .0006
F1    .8481  .0489  .09603  .0234  .0285  .0199  .0233   .0002  .0080   .0075
F2    .7419  .5504  .27419  .0165  .0189  .0136  .0195   .0030  .0087   .0071
F3    .3698  .0017  .73490  .0141  .0152  .0125  .0154   .0030  .0045   .0003
F4    .0419  .4057  .90021  .0180  .0219  .0186  .0147   .0060  .0058  -.0011
F5    .9168  .1103  .72148  .0169  .0117  .0169  .0198   .0011 -.0025  -.0042
F6    .5004  .2955  .90746  .0226  .0156  .0273  .0220  -.0029 -.0028  -.0032
F7    .2517  .0076  .50112  .0118  .0122  .0098  .0136   .0012  .0024   .0011
F8    .2503  .5117  .50560  .0116  .0120  .0103  .0130  -.0002  .0038  -.0002
F9    .2567  .3857  .29105  .0154  .0185  .0154  .0126  -.0043  .0051  -.0035
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Markascherite
 
Yang H, Jenkins R A, Thompson R M, Downs R T, Evans S H, Bloch E M
 
American Mineralogist 97 (2012) 197-202
Markascherite, Cu3(MoO4)(OH)4, a new mineral species polymorphic with szenicsite,
from Copper Creek, Pinal County, Arizona, U.S.A.
Locality: Copper Creek, Pinal County, Arizona, USA
_database_code_amcsd 0018649
9.9904 5.9934 5.5255 90 97.428 90 P2_1/m
atom       x     y       z  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Cu1  -.00037   .25 -.00385 .0103  .0161  .0065  .0090      0  .0040      0
Cu2        0    .5      .5 .0098  .0139  .0074  .0086 -.0001  .0039  .0009
Cu3       .5    .5       0 .0130  .0125  .0114  .0163 -.0004  .0071  .0002
Mo    .32101   .25  .42366 .0098  .0092  .0107  .0099      0  .0022      0
O1     .1432   .25   .3533 .0138   .011   .015   .015      0   .001      0
O2     .3940   .25   .1365 .0153   .014   .016   .017      0   .008      0
O3     .3636 .0137   .5975 .0210   .021   .020   .022  .0040   .000  .0073
OH4    .1016   .75   .4040 .0126   .014   .009   .015      0   .001      0
OH5    .3922   .75   .0855 .0159   .014   .018   .017      0   .007      0
OH6    .0913 .5029   .8514 .0115   .011   .011   .013 -.0002   .003  .0011
H1      .173   .75     .44   .03
H2      .367   .75     .25   .03
H3      .165  .516    .837   .03
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Weeksite
Download hom/weeksite.pdf
Fejfarova K, Plasil J, Yang H, Cejka J, Dusek M, Downs R T, Barkley M C, Skoda R
 
American Mineralogist 97 (2012) 750-754
Revision of the crystal structure and chemical formula of weeksite,
K2(UO2)2(Si5O13)*4H2O
Locality: Anderson mine, Arizona, USA
_database_code_amcsd 0018760
14.1957 14.2291 9.6305 90 111.578 90 C2/m
atom        x       y      z  occ   Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
U1    .099331 .246786 .89678      .01189 .00807 .01867 .00959 .00057 .00403 .00072
K1     -.0707       0  .8602 .951  .0369  .0280  .0310   .057      0  .0224      0
K2      .2460       0  .8433 .930   .054   .058   .040   .089      0   .055      0
Si1         0   .3068     .5       .0166  .0133  .0244  .0121      0  .0046      0
Si2    .18748  .24984  .2495       .0116  .0094  .0180  .0080  .0011  .0038 -.0010
Si3    .29855  .10998  .5004       .0184  .0220  .0156  .0192 -.0011  .0095  .0000
O1      .4105   .1224  .4996        .033   .020   .030   .052  -.005   .018  -.002
O2      .0712   .2440  .1370        .023   .006   .055   .007   .000   .001  -.001
O3      .2472   .2551  .1367        .024   .009   .055   .009   .000   .005  -.001
O4      .0366   .2437  .6473        .023   .024   .037   .008   .003   .006   .006
O5      .2162   .1560  .3546        .027   .028   .026   .021  -.001   .002   .011
O6      .2705       0  .4998        .022   .029   .012   .029      0   .013      0
O7      .2892   .1573  .6467        .026   .036   .018   .027  -.003   .016  -.007
O8      .1020   .1201  .9055        .029   .035   .019   .040  -.001   .021   .001
O9      .0990   .3727  .8972        .032   .036   .020   .042  -.003   .016  -.003
Wat10   .4310       0  .8411        .053   .033   .040   .073      0   .005      0
Wat11  -.2624       0  .8441  .98   .059   .059   .052   .073      0   .034      0
Wat12       0       0     .5  .72   .036
Wat13       0   -.079     .5 .259   .036
Wat14  -.0464  -.0614   .602 .281   .036
Wat15  -.0917  -.0636   .398 .264   .036
Wat16   -.445       0   .702  .24   .024
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Enstatite
Download hom/enstatite.pdf
Zhang J S, Dera P, Bass J D
 
American Mineralogist 97 (2012) 1070-1074
A new high-pressure phase transition in natural Fe-bearing orthoenstatite
Locality: San Carlos, Arizona, USA
Note: P = 12.66 GPa
_database_code_amcsd 0019068
17.868 8.491 5.0565 90 90 90 Pbca
atom     x     y      z  occ Uiso
Mg1  .3762 .6585  .8537 .973 .007
Mg2  .3780 .4790  .3482 .853 .009
Fe1  .3762 .6585  .8537 .027 .007
Fe2  .3780 .4790  .3482 .147 .009
SiA  .2706 .3446  .0331      .006
SiB  .4726 .3382  .8052      .006
O1a  .1818 .3404  .0201      .007
O2a  .3086 .5120  .0287      .008
O3a  .3045 .2247 -.1868      .010
O1b  .5630 .3383  .8114      .008
O2b  .4333 .4886  .6826      .010
O3b  .4444 .1890  .6169      .009
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Enstatite
Download hom/enstatite.pdf
Zhang J S, Dera P, Bass J D
 
American Mineralogist 97 (2012) 1070-1074
A new high-pressure phase transition in natural Fe-bearing orthoenstatite
Locality: San Carlos, Arizona, USA
Note: P = 14.26 GPa
_database_code_amcsd 0019069
17.87 8.526 4.9485 90 92.88 90 P2_1/c
atom      x     y      z occ  Uiso
Mg1-1 .3759 .6574  .8231 .96  .009
Mg1-2 .1254 .3419  .3658 .95  .008
Mg2-1 .3826 .4820  .3282 .84 .0116
Mg2-2 .1247 .5275  .8672 .88  .009
Fe1-1 .3759 .6574  .8231 .04  .009
Fe1-2 .1254 .3419  .3658 .05  .008
Fe2-1 .3826 .4820  .3282 .16 .0116
Fe2-2 .1247 .5275  .8672 .12  .009
SiA-1 .2716 .3414  .0258     .0069
SiA-2 .2271 .6572  .4422     .0092
SiB-1 .4721 .3398  .8079     .0084
SiB-2 .0249 .6585  .3125     .0101
O1a-1 .1835 .3414  .0380      .006
O1a-2 .3157 .6630  .4710      .004
O2a-1 .3112 .5080 -.0120      .005
O2a-2 .1871 .5030  .5470      .014
O3a-1 .3046 .2090  .8390      .010
O3a-2 .1968 .7020  .1280      .014
O1b-1 .5637 .3340  .8280      .010
O1b-2 .9370 .6520  .3080      .006
O2b-1 .4368 .4960  .6780      .010
O2b-2 .0619 .5152  .1850      .001
O3b-1 .4447 .1854  .6200      .010
O3b-2 .0534 .8130  .1310      .007
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Rongibbsite
 
Yang H, Downs R T, Evans S H, Jenkins R A, Bloch E M
 
American Mineralogist 98 (2013) 236-241
Rongibbsite, Pb2(Si4Al)O11(OH), a new zeolitic aluminosilicate mineral with an
interrupted framework from Maricopa County, Arizona, U.S.A.
Locality: Big Horn Mountains, Maricopa County, Arizona, USA
_database_code_amcsd 0019710
7.8356 13.9132 10.2775 90 92.925 90 I2/m
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    .09729 .34602 .34367 .802 .01822 .02299 .01679 .01477  .00332 -.00019 -.00136
Pb'   .10313 .33075 .34924 .198 .02774 .03159 .03245 .01811  .01856 -.00932 -.00819
SiT1  .32365 .39185 .66099      .01126 .01366 .01013 .01001  .00024  .00085 -.00102
SiT2  .19392 .11266 .53609  .80 .01088 .01048 .01006 .01205 -.00017 -.00003  .00034
AlT2  .19392 .11266 .53609  .20 .01088 .01048 .01006 .01205 -.00017 -.00003  .00034
AlT3      .5 .24649     .5  .60 .00733 .00710 .00566 .00922       0  .00026       0
SiT3      .5 .24649     .5  .40 .00733 .00710 .00566 .00922       0  .00026       0
O1    .23932 .12479 .69315      .01883 .02209 .02019 .01452 -.00242  .00407  .00043
O2         0 .15506     .5      .02141 .01415 .01941 .03045       0 -.00098       0
O3    .20846      0 .48925      .01874 .02521 .00985 .02106       0  .00016       0
O4    .15728 .37490 .56303      .01828 .01770 .02095 .01589 -.00006 -.00200 -.00264
O5    .39855     .5 .64981      .01673 .01796 .01091 .02179       0  .00553       0
O6    .32993 .17896 .45812      .01740 .01756 .01858 .01618  .00052  .00197  .00046
O7    .47538 .31765 .63132      .01602 .01528 .01290 .01986  .00518  .00051 -.00404
O8H   .12819     .5 .28393      .04113 .06374 .02491 .03556       0  .01063       0
H     .24320     .5 .30933      .03000
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Wherryite
 
Cooper M A, Hawthorne F C
Download cm/vol32/CM32_373.pdf
The Canadian Mineralogist 32 (1994) 373-380
The crystal structure of wherryite, Pb7Cu2(SO4)4(SiO4)2(OH)2, a mixed
sulfate-silicate with [M(TO4)2] chains
Locality: Mammoth-St Anthony mine, Tiger, Pinal County, Arizona, USA
_database_code_amcsd 0005365
20.789 5.787 9.142 90 91.24 90 C2/m
atom     x    y      z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Pb1  .1434    0  .2632   .029   .026   .026      0   .004      0
Pb2  .4739    0  .7061   .028   .031   .021      0   .001      0
Pb3  .3419    0  .3212   .028   .036   .028      0  -.001      0
Pb4      0    0      0   .037   .028   .030      0  -.004      0
Cu     .25  .25      0   .025   .021   .022   .002   .003      0
S1   .2668    0  .6575   .027   .019   .017      0   .004      0
S2   .4318   .5  .3475   .021   .021   .020      0   .003      0
Si   .3960    0 -.0089   .028   .023   .026      0   .005      0
O1   .3192    0   .030   .027   .017   .038      0   .009      0
O2   .3356    0   .615   .041   .032   .032      0   .014      0
O3   .4173 .216  -.110   .032   .025   .015   .005   .005      0
O4   .2235    0   .531   .033   .040   .025      0  -.009      0
O5   .3850   .5   .222   .036   .044   .024      0  -.005      0
O6   .4351    0   .148   .043   .028   .026      0   .007      0
O7   .2576 .206  -.251   .038   .036   .019      0   .007  -.001
O8   .4236 .293   .438   .040   .062   .033  -.006  -.002   .009
O9   .5036   .5  -.285   .019   .054   .056      0   .003      0
O10  .3091   .5  -.029   .025   .030   .021      0  -.005      0
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Winstanleyite
Download hom/winstanleyite.pdf
Bindi L, Cipriani C
Download cm/vol41/CM41_1469.pdf
The Canadian Mineralogist 41 (2003) 1469-1473
The crystal structure of winstanleyite, TiTe3O8, from the
Grand Central Mine, Tombstone, Arizona
Locality: Grand Central Mine, Tombstone, Arizona
_database_code_amcsd 0005922
10.965 10.965 10.965 90 90 90 I2_1/a-3
atom      x     y     z  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ti        0     0     0 .0244  .0244  .0244  .0244 -.0001 -.0001 -.0001
Te   .20907     0   .25 .0274  .0275  .0274  .0274      0      0  .0001
O1    .4386 .1333 .3987 .0224  .0228  .0228  .0227 -.0002 -.0003 -.0002
O2    .1729 .1729 .1729 .0225  .0225  .0225  .0225  .0005  .0005  .0005
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Georgerobinsonite
 
Cooper M A, Ball N A, Hawthorne F C, Paar W H, Roberts A C, Moffatt E
 
The Canadian Mineralogist 49 (2011) 865-876
Georgerobinsonite, Pb4(CrO4)2(OH)2FCl, a new chromate mineral from the
Mammoth-St. Anthony mine, Tiger, Pinal County, Arizona: description and crystal structure
Locality: Mammoth-St. Anthony mine, Tiger, Pinal County, Arizona, USA
_database_code_amcsd 0018387
7.6256 11.6081 6.8961 90 90 90 *Pmmn
.25 .25 0
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(1)    .25 .59690 .12642     .02183  .0256  .0233  .0166      0       0 -.0031
Pb(2) .50242    .25 .41670     .02025  .0147  .0239  .0221      0 -.00089      0
Cr       .25 .49812  .6485      .0129  .0134  .0135  .0117      0       0 -.0015
Cl       .25  .2284  .0720  .5  .0217
F        .75    .25  .1327       .027   .035   .034   .011      0       0      0
O(1)   .4226  .5121  .7804      .0264   .023   .033   .023   .006   -.003  -.006
O(2)     .25  .6070  .4931      .0232   .028   .021   .021      0       0  -.000
O(3)     .25  .3763  .5289      .0235   .023   .016   .032      0       0  -.003
Oh4    .4388    .75  .2306      .0166   .014   .019   .016      0   -.001      0
H       .550    .75   .159        .02
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Forsterite
Download hom/forsterite.pdf
McCormick T C, Smyth J R, Lofgren G E
 
Physics and Chemistry of Minerals 14 (1987) 368-372
Site occupancies of minor elements in synthetic olivines as
determined by channeling-enhanced X-ray emission
Locality: sample from San Carlos, Arizona
_database_code_amcsd 0007438
4.7641 10.2269 5.9952 90 90 90 Pbnm
atom      x      y     z  occ B(1,1) B(2,2) B(3,3) B(1,2)  B(1,3)  B(2,3)
FeM1      0      0     0 .097  .0035 .00122 .00232 .00001 -.00037 -.00040
MgM1      0      0     0 .903  .0035 .00122 .00232 .00001 -.00037 -.00040
FeM2 .99000 .27770   .25 .093  .0049 .00082 .00278 .00011       0       0
MgM2 .99000 .27770   .25 .907  .0049 .00082 .00278 .00011       0       0
Si   .42649 .09432   .25       .0020 .00069 .00193 .00004       0       0
O1    .7661 .09172   .25       .0027 .00131  .0029 .00022       0       0
O2    .2206 .44764   .25       .0044 .00074  .0034 .00004       0       0
O3    .2783 .16309 .0337       .0040 .00120  .0030 .00000  -.0002  .00048
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Stishovite
Download hom/stishovite.pdf
Baur W H, Khan A A
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=27&spage=2133
Acta Crystallographica B27 (1971) 2133-2139
Rutile-type compounds. VI.
SiO2, GeO2 and a comparison with other rutile-type structures
Locality: Meteor Crater, Arizona, USA
_database_code_amcsd 0009403
4.1790 4.1790 2.6649 90 90 90 P4_2/mnm
atom     x     y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Si       0     0 0  .0078  .0078  .0287  .0002      0      0
O    .3062 .3062 0  .0112  .0112  .0347  .0005      0      0
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Zunyite
Download hom/zunyite.pdf
Baur W H, Ohta T
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=38&spage=390
Acta Crystallographica B38 (1982) 390-401
The Si5O16 pentamer in zunyite refined and empirical relations for individual
silicon-oxygen bonds
Locality: Quartzsite, Arizona, USA
_database_code_amcsd 0009752
13.8654 13.8654 13.8654 90 90 90 F-43m
atom      x      y      z occ  Biso
Si1     .25    .25    .25       .31
Si2  .11430 .11430 .11430       .26
Al1     .75    .75    .75       .25
Al2  .08556 .08556 .76670       .35
O1   .82478 .82478 .82478       .35
O2   .18243 .18243 .18243       .89
O3   .27949      0      0       .66
O4   .17870 .17870 .54601 2/3   .63
F4   .17870 .17870 .54601 1/3   .63
O5   .13834 .13834 .00152       .44
Cl       .5     .5     .5       .77
H1a    .228   .228   .530 1/3 13.00
H1b    .190   .190   .480 1/3 13.00
H2     .336      0      0      1.90
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Junitoite
Download hom/junitoite.pdf
Yang H, Jenkins N G, Downs R T
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=1600-5368&volume=68&spage=73
Acta Crystallographica E68 (2012) i73-i73
Redetermination of junitoite, CaZn2Si2O7*H2O
Locality: Christmas Mine, Gila County, Arizona, USA
_database_code_amcsd 0019356
12.5302 6.3056 8.5617 90 90 90 Aba2
atom      x       y      z   Uiso U(1,1) U(2,2) U(3,3)  U(1,2)  U(1,3)  U(2,3)
Ca        0      .5 .51882 .00899 .01062 .00784 .00850  .00019       0       0
Zn   .25216  .24453 .13494 .00808 .00755 .00739 .00931 -.00067  .00070 -.00072
Si   .11827  .00274 .39406 .00615 .00563 .00687 .00596 -.00022  .00019  .00035
O1   .12311  .29919 .01003 .01075 .00841 .01119 .01263 -.00097 -.00197  .00459
O2   .12739  .21991 .49272 .00990 .00865 .01091 .01015  .00190 -.00265 -.00348
O3   .20596 -.00482 .25347 .01007 .01237 .00798 .00987 -.00005  .00448  .00027
O4        0       0 .30367 .00819 .00629 .01121 .00706  .00000       0       0
OW5       0      .5 .25181 .02088 .02719 .02784 .00761  .00997       0       0
H    .03502  .44843 .20019    .03
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Connellite
Download hom/connellite.pdf
Hibbs D E, Leverett P, Williams P A
 
Axis 2 (2006) 1-7
Connellite from Bisbee, Arizona: A single-crystal X-ray study
Locality: Bisbee, Arizona, USA
_database_code_amcsd 0012063
15.7866 15.7866 9.1015 90 90 120 P6_3/mmc
atom      x      y     z  occ Uiso
Cu(1)    .5      0     0  .25 .014
Cu(2) .2011      0     0   .5 .012
Cu(3) .3364  .1682   .75  .25 .010
Cu(4) .3585  .0165   .25   .5 .010
Cl(3)     0      0     0 .043 .011
Cl(1) .2772  .1386   .25  .25 .012
OH1   .4504  .3707 .0918      .012
OH2   .0749 -.0749 .0989   .5 .020
OH3   .6744  .7442 .1102      .011
OH4   .4424  .5576   .25  .25 .014
OW    .5070  .2540   .75 .040 .017
Cl(4)   2/3    1/3   .25 .034 .015
N(1)    2/3    1/3   .25 .021 .015
O(1a) .6226  .3774   .25 .063 .017
O(1b) .6150  .3850   .25 .084 .017
S(1)    2/3    1/3 .2999 .028 .014
O(1c)   2/3    1/3 .4620 .028 .014
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Conichalcite
Download hom/conichalcite.pdf
Sakai S, Yoshiasa A, Sugiyama K, Miyawaki R
 
Journal of Mineralogical and Petrological Sciences 104 (2009) 125-131
Crystal structure and chemistry of conichalcite, CaCu(AsO4)(OH)
Locality: Higgins mine, Arizona, USA
_database_code_amcsd 0018380
7.3849 5.8379 9.1937 90 90 90 P2_12_12_1
atom     x      y     z occ  Uiso
Ca   .1168  .2706 .4258     .0082
Cu   .0050 -.0004 .7494 .96 .0093
Mg   .0050 -.0004 .7494 .04 .0093
As   .3681 -.2350 .5802     .0081
O1   .1884  -.255 .6983      .011
O2    .541  -.167 .6912      .016
O3    .387   .514 .4908      .015
O4    .355  -.007 .4697      .012
O5    .139   .254 .6814      .010
H      .25    .26   .72       .03
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Junitoite
Download hom/junitoite.pdf
Hamilton R D, Finney J J
Download mm/vol49/MM49_91.pdf
Mineralogical Magazine 49 (1985) 91-95
The structure of junitoite, CaZn2Si2O7*H2O
Locality: Christmas mine, Gile County, Arizona, USA
_database_code_amcsd 0014480
12.510 6.318 8.561 90 90 90 Ama2
atom     x     y     z Biso
Ca     1/4 .2462 .1119  .40
Zn1      0     0 .0000 1.23
Zn2      0     0 .4963  .15
Si   .1316 .7348 .2359  .32
O1   .0437 .7438 .3764  .72
O2   .1213 .5314 .1360 1.10
O3   .1263 .9517 .1249 1.21
O4     1/4 .7721 .3270  .46
Wat    1/4 .2746 .3785 3.22
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Luetheite
Download hom/luetheite.pdf
Burns P C, Smith J V, Steele I M
Download mm/vol64/MM64_25.pdf
Mineralogical Magazine 64 (2000) 25-30
Arizona porphyry copper/hydrothermal deposits I.
The structure of chenevixite and luetheite
Note: Luetheite-chenevixite series
Locality: Humboldt mine, Patagonia, Arizona
_database_code_amcsd 0014539
5.7012 5.1801 29.265 90 89.99 90 B2_1
atom     x     y     z occ  Uiso
Cu1  .8659  .633 .1259     .0092
Cu2   .366  .646 .1245     .0100
AlM1  .122 .3848 .2145 .70 .0074
FeM1  .122 .3848 .2145 .30 .0074
AlM2  .625 .8860 .0343 .57 .0084
FeM2  .625 .8860 .0343 .43 .0084
As1  .8760 .6865 .9385     .0058
As2  .6176 .0923 .1886     .0087
O1    .857  .725 .9984     .0111
O2    .617  .020 .2421     .0231
O3    .865  .264 .1747     .0029
O4    .155  .553 .9245     .0474
O5    .886  .996 .9122     .0241
O6    .611  .821 .1574     .0175
O7    .646  .543 .9216     .0238
O8    .388  .279 .1754     .0125
OH1   .382  .552 .2555     .0344
OH2   .620  .215 .9997     .0173
OH3   .115  .682 .1713     .0087
OH4   .619  .549 .0808     .0405
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Khinite
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Cooper M A, Hawthorne F C, Back M E
 
Mineralogical Magazine 72 (2008) 763-770
The crystal structure of khinite and polytypism in khinite and parakhinite
Locality: the Empire mine, Tombstone, Arizona, USA
_database_code_amcsd 0014583
5.7491 10.0176 24.022 90 90 90 Fdd2
atom      x     y      z   Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Pb      .25   .25 .14110 .01294  .0140  .0100  .0148 -.0009      0      0
Te       .5     0 .23761  .0072  .0130  .0007  .0079 -.0018      0      0
Cu(1)     0     0 .29395  .0082  .0067  .0059  .0119 -.0031      0      0
Cu(2)   .25   .25 .29509  .0052  .0033  .0044  .0079 -.0002      0      0
Cu(3)   .75   .25 .23861  .0089  .0149  .0031  .0088 -.0043      0      0
OH(1)  .153 .1158  .3466   .010
O(2)   .615 .1266  .1834   .009
O(3)  .2002 .1007  .2401   .009
O(4)  .6278 .1221  .2931   .012
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Khinite-4O
Download hom/khinite4o.pdf
Cooper M A, Hawthorne F C, Back M E
 
Mineralogical Magazine 72 (2008) 763-770
The crystal structure of khinite and polytypism in khinite and parakhinite
Locality: the Empire mine, Tombstone, Arizona, USA
Note: This is the original khinite, now distinguished as the -4O polytype
_database_code_amcsd 0014584
5.7491 10.0176 24.022 90 90 90 Fdd2
atom      x     y      z   Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Pb      .25   .25 .14110 .01294  .0140  .0100  .0148 -.0009      0      0
Te       .5     0 .23761  .0072  .0130  .0007  .0079 -.0018      0      0
Cu(1)     0     0 .29395  .0082  .0067  .0059  .0119 -.0031      0      0
Cu(2)   .25   .25 .29509  .0052  .0033  .0044  .0079 -.0002      0      0
Cu(3)   .75   .25 .23861  .0089  .0149  .0031  .0088 -.0043      0      0
OH(1)  .153 .1158  .3466   .010
O(2)   .615 .1266  .1834   .009
O(3)  .2002 .1007  .2401   .009
O(4)  .6278 .1221  .2931   .012
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Bobmeyerite
 
Kampf A R, Pluth J J, Chen Y S, Roberts A C, Housley R M
 
Mineralogical Magazine 77 (2013) 81-91
Bobmeyerite, a new mineral from Tiger, Arizona, USA, structurally related
to cerchiaraite and ashburtonite
Locality: Tiger mine, Arizona, USA
_database_code_amcsd 0019796
13.969 14.243 5.893 90 90 90 Pnnm
atom      x      y     z  occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Pb1  .72313 .48502     0      .0312  .0477  .0294  .0163 -.0031      0      0
Pb2  .51318 .71552     0      .0300  .0354  .0381  .0166 -.0036      0      0
Al    .7684  .2688 .7506  .82 .0226   .033   .029   .006   .013   .001 -.0006
Cu    .7684  .2688 .7506  .18 .0226   .033   .029   .006   .013   .001 -.0006
Si1   .5942  .6270    .5      .0202   .025   .028   .008  -.006      0      0
Si2   .6296  .4081    .5      .0184   .032   .016   .008   .008      0      0
O1    .6323  .5200    .5       .031   .040   .023   .030  -.002      0      0
O2    .4787  .6313    .5       .028   .030   .036   .018  -.016      0      0
O3    .6314  .6780  .274       .024   .041   .025   .004  -.017   .000   .000
O4    .6803  .3691  .728       .021   .025   .026   .013  -.002  -.004  -.005
OH5   .7036  .2162     0       .035   .035   .044   .027   .007      0      0
OH6   .7105  .2051    .5       .034   .033   .026   .042   .007      0      0
OH7   .6591  .8225     0       .025   .014   .030   .031   .008      0      0
OH8   .8258  .3398     0       .039   .017   .061   .038   .013      0      0
Cl       .5     .5     0      .030   .044   .031   .016  -.001      0      0
Wat9   .630   .028     0  .75   .17
S9     .630   .028     0 .125   .17
Si9    .630   .028     0 .125   .17
O9     .630   .028     0   .5   .17
Wat10  .032   .366     0  .75   .22
S10    .032   .366     0 .125   .22
Si10   .032   .366     0 .125   .22
O10    .032   .366     0   .5   .22
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Chalcoalumite
Download hom/chalcoalumite.pdf
Hawthorne F C, Cooper M A
 
Mineralogical Magazine 77 (2013) 2901-2912
The crystal structure of chalcoalumite: mechanisms of Jahn-Teller-driven
distortion in [6]Cu2+-containing oxysalts
Locality: Bisbee, Arizona, USA
_database_code_amcsd 0019969
10.228 8.929 17.098 90 95.800 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)
Cu      .74871  .50020 .49406      .01027 .00500 .00812 .01797 -.00049 .00255 -.00068
Al1     .00286  .32667 .50357      .00993  .0055  .0093  .0151 -.00034 .00200 -.00019
Al2     .49758  .67520 .50148      .01061  .0057  .0091  .0173  .00002 .00222  .00035
Al3     .25324  .16052 .49944      .01033  .0069  .0078  .0165 -.00023 .00250 -.00001
Al4     .24511 -.15945 .49702      .01109  .0072  .0079  .0187 -.00053 .00353 -.00041
S       .48868  .10515 .74290      .01769 .01837  .0210 .01360 -.00112 .00114  .00011
O1      .58554  .50007 .55216       .0116  .0089  .0102  .0154  -.0005 -.0000   .0002
O2      .91756  .49687 .44494       .0102  .0081  .0104  .0121  -.0006  .0008  -.0005
O3      .65339  .32353 .44067       .0129  .0099  .0131  .0163   .0012  .0044   .0020
O4      .85631  .31444 .56145       .0136  .0106  .0135  .0177  -.0045  .0063  -.0043
O5      .11276  .19553 .56067       .0127  .0095  .0128  .0164   .0017  .0042   .0042
O6      .18188  .00447 .43737       .0136  .0107  .0099  .0195  -.0006 -.0028  -.0005
O7      .64111  .68906 .44022       .0115  .0089  .0112  .0148  -.0025  .0032  -.0019
O8      .84633  .67318 .55416       .0116  .0086  .0129  .0139   .0015  .0032   .0020
O9     -.10271  .19348 .44411       .0127  .0091  .0121  .0176  -.0021  .0043  -.0043
O10     .60574  .80479 .56145       .0131  .0094  .0125  .0181  -.0018  .0045  -.0046
O11     .38867 -.19697 .44224       .0132  .0084  .0127  .0193   .0023  .0049   .0045
O12     .31366 -.00303 .55849       .0135  .0102  .0094  .0202  -.0002 -.0030   .0004
O13     .52462  .02155 .67381       .0229  .0269  .0240  .0184   .0016  .0054  -.0015
O14     .91716  .49570 .29136       .0347  .0456  .0411  .0189   .0175  .0099   .0003
O15     .60893  .16165 .78789       .0315  .0262  .0413  .0253  -.0078 -.0066  -.0018
O16     .40475  .23331 .71722       .0309  .0319  .0322  .0280   .0124  .0004  -.0015
O17    -.15408 -.22030 .21994       .0313  .0278  .0317  .0353   .0021  .0077   .0020
Wat18    .7238   .4046  .6941 .697  .0473   .053   .058  .0321  -.0225  .0092  -.0071
Wat18A   .8427   .2656  .7217 .350   .069   .071   .090   .044   -.033   .003   -.003
Wat18B   .6612    .506  .7044 .436   .126   .073    .27   .036   -.065   .014   -.015
O19     -.0313  .01001 .31308       .0344  .0444  .0315  .0262  -.0024 -.0013   .0020
H1      -.2444   -.221   .234        .101
H2       -.124  -.3226   .232        .093
H5       -.046   .0993  .2800        .045
H6       -.063   -.075  .2805        .079
H7        .611    .495  .6089        .045
H8        .913    .491 .38751        .029
H9        .652    .313  .3836        .033
H10       .855    .320   .619        .044
H11       .097    .121  .6007        .063
H12       .122    .010  .3890        .045
H13       .624    .702  .3832        .026
H14       .862    .668 .61160        .032
H15      -.085    .128  .4003        .056
H16       .590    .869  .6060        .051
H17       .406   -.135  .3972        .056
H18       .382   -.005  .6029        .059
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Papagoite
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Groat L A, Hawthorne F C
 
Mineralogy and Petrology 37 (1987) 89-96
Refinement of the structure of papagoite, CaCuAlSi2O6(OH)3
Locality: Ajo, Pima County, Arizona, USA
Note: U(1,1)(O3) changed from .0068 to match reported Uiso
_database_code_amcsd 0014616
12.926 11.496 4.696 90 100.81 90 C2/m
atom      x      y     z  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ca        0  .1553    .5 .0110  .0049  .0097  .0177      0  .0006      0
Cu   .26873     .5 .4461 .0077  .0088  .0049  .0081      0 -.0018      0
Al      .25    .25    .5 .0051  .0047  .0059  .0053  .0007  .0022 -.0003
Si   .38740 .13238 .0678 .0049  .0040  .0054  .0056 -.0003  .0011 -.0009
O1    .2005  .3697 .2259 .0086  .0101  .0066  .0079 -.0002 -.0018  .0000
O2    .1631  .1268 .3073 .0074  .0087  .0065  .0069 -.0001  .0002  .0007
O3    .4234     .5 .2317 .0080  .0086  .0072  .0077      0 -.0015      0
O4        0  .3198     0 .0110  .0073  .0106  .0162      0  .0045      0
O5    .3615  .2209 .3058 .0089  .0076  .0106  .0095 -.0001  .0043 -.0033
O6    .4013      0 .1931 .0110  .0135  .0074  .0109      0 -.0030      0
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Manganbabingtonite
Download hom/manganbabingtonite.pdf
Nagashima M, Mitani K, Akasaka M
 
Mineralogy and Petrology 108 (2014) 287-301
Structural variation of babingtonite depending on cation
distribution at the octahedral sites
Note: Sample 6
Locality: Iron Cap mine, Graham County, Arizona, USA
_database_code_amcsd 0020458
7.4967 11.6632 6.7014 91.602 93.989 104.574 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)
Ca1  .78527 .94188 .14065     .01425  .0205  .0139  .0076  .0029  .0017  -.0016
Ca2  .23699 .51981 .30439     .01319  .0131  .0158  .0097  .0027  .0002  -.0036
Fe1  .59341 .64493 .06234 .23 .01079  .0125  .0131  .0065  .0029 .00079 -.00077
Mn1  .59341 .64493 .06234 .74 .01079  .0125  .0131  .0065  .0029 .00079 -.00077
Mg1  .59341 .64493 .06234 .03 .01079  .0125  .0131  .0065  .0029 .00079 -.00077
Fe2  .04515 .23514 .18576 .97 .00927  .0116  .0104  .0056  .0025 .00010 -.00092
Al2  .04515 .23514 .18576 .03 .00927  .0116  .0104  .0056  .0025 .00010 -.00092
Si1  .28630 .05405 .34250      .0113  .0144  .0122  .0066  .0027 -.0004  -.0006
Si2  .46026 .31431 .42419     .01001  .0114  .0124  .0059  .0027  .0000  -.0007
Si3  .80683 .44495 .20928     .00951  .0112  .0118  .0053  .0026  .0004  -.0014
Si4  .98996 .71407 .30967     .01015  .0128  .0112  .0062  .0029  .0003  -.0012
Si5  .32797 .83740 .10741      .0109  .0130  .0124  .0072  .0031  .0009  -.0009
O1    .1968  .9893  .5365      .0170  .0220  .0162  .0099 -.0004  .0014   .0008
O2    .1285  .0802  .1856      .0129  .0156  .0160  .0073  .0044  .0003  -.0004
O3    .4331 .17216  .4356      .0143  .0179  .0111  .0126  .0029 -.0039  -.0001
O4    .3163  .3385  .2463      .0122  .0150  .0135  .0075  .0032 -.0002   .0004
O5    .5496  .6195  .3668      .0137  .0140  .0160  .0097  .0018  .0012  -.0024
O6    .6772  .3712  .3724      .0119  .0119  .0162  .0072  .0028 -.0002   .0007
O7    .9696  .3842  .1599      .0135  .0138  .0151  .0116  .0039  .0013  -.0027
O8    .6796  .4729  .0248      .0128  .0142  .0154  .0082  .0024  .0013   .0009
O9    .9266 .56918  .3367      .0123  .0162  .0108  .0087  .0019 -.0011  -.0021
O10   .8744  .7564  .1255      .0134  .0153  .0157  .0093  .0039  .0014   .0009
O11   .0185  .2210  .4790      .0149  .0203  .0147  .0093  .0036  .0021  -.0035
O12   .2054  .7371  .2493      .0129  .0138  .0156  .0088  .0028  .0003   .0006
O13   .5115  .8026  .0575      .0153  .0167  .0183  .0123  .0068  .0028   .0008
O14   .8047  .1412  .0816      .0141  .0171  .0151  .0082  .0012 -.0010  -.0010
O15   .3917  .9682  .2291      .0158  .0175  .0144  .0141  .0025 -.0006  -.0046
H1     .119  .9078   .524       .050
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Beaverite
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Breidenstein B, Schluter J, Gebhard G
 
Neues Jahrbuch fur Mineralogie, Monatshefte 1992 (1992) 213-220
On beaverite: new occurrence, chemical data and crystal structure
Locality: Grand Reef mine, Graham County, Arizona, USA
_database_code_amcsd 0014860
7.205 7.205 16.994 90 90 120 R-3m
atom     x      y     z Biso
Pb       0      0     0  3.5
Fe      .5      0    .5  3.5
S        0      0 .3156  1.5
O1       0      0 .4002  1.0
O2    .222  -.222  -.05  1.0
OH   .1229 -.1229 .1367  1.0
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Beaverite-(Cu)
Download hom/beaveritecu.pdf
Breidenstein B, Schluter J, Gebhard G
 
Neues Jahrbuch fur Mineralogie, Monatshefte 1992 (1992) 213-220
On beaverite: new occurrence, chemical data and crystal structure
Locality: Grand Reef mine, Graham County, Arizona, USA
_database_code_amcsd 0014861
7.205 7.205 16.994 90 90 120 R-3m
atom     x      y     z Biso
Pb       0      0     0  3.5
Fe      .5      0    .5  3.5
S        0      0 .3156  1.5
O1       0      0 .4002  1.0
O2    .222  -.222  -.05  1.0
OH   .1229 -.1229 .1367  1.0
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Buttgenbachite
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Hibbs D E, Leverett P, Williams P A
 
Neues Jahrbuch fur Mineralogie, Monatshefte 2002 (2002) 225-240
Buttgenbachite from Bisbee, Arizona, USA: A single-crystal X-ray study
Locality: Bisbee, Arizona, USA
_database_code_amcsd 0014920
15.739 15.739 9.127 90 90 120 P6_3/mmc
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     .5      0     0       .011   .010   .014   .012   .007  -.001  -.002
Cu2  .2014      0     0       .011   .012   .010   .011   .005   .001   .002
Cu3  .3357 .16785   .75       .010   .013   .009   .009   .007      0      0
Cu4  .3586  .0165   .25       .010   .008   .011   .008   .002      0      0
Cl1  .2768  .1384   .25       .014   .016   .011   .016   .008      0      0
Cl3      0      0     0    .5 .015   .013   .013   .019   .006      0      0
OH1  .4501  .3699 .0912       .012   .015   .011   .009   .006   .003   .001
OH2  .0753 -.0753 .0991       .021   .014   .014   .023  -.002   .005  -.005
OH3  .6737  .7441 .1097       .012   .014   .012   .011   .008   .001   .001
OH4  .4423  .5577   .25       .009   .021   .021   .000   .021      0      0
N1     2/3    1/3   .25    .5 .013
Cl2    2/3    1/3   .25    .5 .013
O1   .6216  .3784   .25       .011
Wat  .5100  .2552 .8070    .1 .011
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Ajoite
Download hom/ajoite.pdf
Pluth J J, Smith J V
 
Proceedings of the National Academy of Sciences 99 (2002) 11002-11005
Arizona porphyry copper/hydrothermal deposits II:
Crystal structure of ajoite, (K+Na)3Cu20Al3Si29O76(OH)16*~8H2O
_database_code_amcsd 0015331
13.634 13.687 14.522 110.833 107.208 105.680 P-1
atom      x      y      z occ Uiso
K     .4955 -.0269  .0001  .5  .38
Cu1   .0905  .2149  .4795      .06
Cu2   .2917  .1663  .4821      .06
Cu3  -.3123  .3137  .4739      .07
Cu4  -.1117  .2633  .4739      .07
Cu5   .6937  .0674  .4870      .07
Cu6  -.5122  .3618  .4779      .08
Cu7   .4904  .1143  .4814      .05
Cu8   .8985  .0236  .4971      .06
Cu9   .0948  .4663  .4917      .08
Cu10  .2895  .4106  .4811      .08
Si1   .6643  .3950  .7006      .05
Si2   .0701  .3064  .7035      .05
Si3   .4619  .4426  .7031      .07
Si4   .2748  .2604  .7058      .05
Si5  -.0713  .4667  .2873      .06
Si6   .1296  .4192  .2741      .08
Si7   .6719  .1773  .7118      .05
Si8   .7100 -.0524  .2641      .07
Si9   .5006 -.0103  .2554      .06
Si10  .8838  .1424  .7223      .06
Si11 -.2735  .2659  .2552      .07
Si12 -.2213  .0602  .1340  .5  .10
Al12 -.2213  .0602  .1340  .5  .10
Si13  .8941  .0292  .8708 .75  .09
Al13  .8941  .0292  .8708 .25  .09
Si14  .3420  .0763  .1332  .5  .11
Al14  .3420  .0763  .1332  .5  .11
Si15  .0095  .1594  .1263 .75  .10
Al15  .0095  .1594  .1263 .25  .10
Si16 -.4746  .3171  .2625      .07
O1    .0064  .2350  .5707      .06
O2    .2093  .1867  .5737      .06
O3    .6127  .0964  .5795      .08
O4    .7754  .0377  .3951      .09
OH5   .3784  .1511  .3979      .12
O6    .5675  .0819  .3852      .09
OH7   .4062  .1326  .5717      .10
OH8   .1812  .2064  .3988      .11
O9   -.2284  .2968  .3830      .14
OH10  .9850  .0041  .4113      .14
OH11 -.0152  .2624  .4004      .11
O12   .8203  .0566  .5921      .08
O13  -.4252  .3529  .3914      .11
OH14  .2084  .4287  .5734      .11
O15  -.0092  .5202  .4187      .08
O16   .6069  .3324  .5678      .08
O17   .4066  .3796  .5711      .07
OH18  .7972  .2725  .5554      .11
O19   .1816  .4601  .4041      .11
O20   .5889  .4500  .7500      .13
O21   .2109  .5035  .2467      .16
O22   .9944  .2541  .7561      .15
O23  -.1907  .3607  .2371      .16
O24   .7999  .1910  .7636      .15
O25   .6778  .3047  .7452      .15
O26   .2969  .0272 -.0006      .20
O27  -.0935  .5595  .2513      .16
O28   .9270  .0820  .7927      .18
O29   .6896 -.1836  .2402      .15
O30  -.2887  .1410  .1764      .17
O31  -.4690  .4287  .2449      .16
O32  -.3963  .2689  .2113      .12
O33   .0073  .4247  .2335      .16
O34   .9320 -.0756  .8510      .30
O35   .3984 -.1238  .2325      .14
O36   .1120  .2912  .2001      .19
O37   .4489  .0417  .1793      .12
O38  -.0901  .1485  .1699      .19
O39   .3887  .3713  .7466      .14
O40   .7808 -.0187  .2002      .16
O41   .5847 -.0557  .2126      .12
O42   .9606  .1315  .9971      .24
O43   .1918  .3038  .7518      .14
O44  -.6046  .2217  .1934      .17
O45   .7562 -.0253  .8291      .19
OH46 -.6211  .4054  .3988      .14
Wat1  .2462  .2448 -.0039      .73
Wat2  .1059  .3156 -.0031      .61
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Henryite
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Bindi L
 
Solid State Sciences 38 (2014) 108-111
Chemical and structural characterization of henryite, (Cu,Ag)3+xTe2 (x ~ 0.40):
A new structure type in the (Ag)-Cu-Te system
Locality: the Campbell orebody, Bisbee, Arizona, USA
_database_code_amcsd 0020215
12.1987 12.1987 12.1987 90 90 90 Fd3c
atom    x    y    z  occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
CuM1 .125 .125 .125 .484 .063   .063   .063   .063      0      0      0
AgM1 .125 .125 .125 .366 .063   .063   .063   .063      0      0      0
CuM2 .875 .125 .125 .475 .064   .065   .063   .063      0      0      0
AgM2 .875 .125 .125 .368 .064   .065   .063   .063      0      0      0
FeM2 .875 .125 .125 .011 .064   .065   .063   .063      0      0      0
Te      0    0    0      .068   .068   .068   .068 -.0010 -.0010 -.0010
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Emmonsite
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Pertlik F
 
Tschermaks Mineralogische und Petrographische Mitteilungen 18 (1972) 157-168
Der strukturtyp von emmonsit, {Fe2[TeO3]3*H2O}*xH2O (x=0-1)
Locality: Tombstone, Arizona, USA
_database_code_amcsd 0015641
7.90 8.00 7.62 96.73 95.00 84.47 P-1
atom      x      y      z Biso
Fe1  .19452 .02627 .96827  .41
Fe2  .30020 .47704 .51757  .42
Te1  .52645 .28821 .14098  .54
Te2  .02360 .34375 .20857  .52
Te3  .12548 .83745 .31807  .67
O1    .0053  .1124  .1448  .93
O2    .0740  .2057  .8079  .26
O3    .3122  .2220  .1131 1.15
O4    .3755  .9174  .8247  .78
O5    .2661  .8623  .1236  .31
O6    .1229  .3225  .4333  .93
O7    .2057  .6138  .3294 1.66
O8    .1948  .6277  .7103 1.61
O9    .4960  .3683  .3764 1.37
Wat   .3857  .3149  .7150 2.14
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Stringhamite
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Hawthorne F C
 
Tschermaks Mineralogische und Petrographische Mitteilungen 34 (1985) 15-24
The crystal structure of stringhamite
Locality: Christmas mine, Pinal County, Arizona, USA
_database_code_amcsd 0015701
5.030 16.1350 5.343 90 102.96 90 P2_1/c
atom     x      y      z  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ca   .6496 .17671  .3464 .0089  .0093  .0102  .0074  .0004  .0027  .0001
Cu1      0      0     .5 .0091  .0108  .0102  .0062  .0016  .0019 -.0002
Cu2     .5      0      0 .0093  .0070  .0098  .0107  .0002  .0013 -.0010
Si   .9802 .11123 -.0290 .0075  .0065  .0089  .0074 -.0001  .0022 -.0001
O1   .8995  .2058  .0268  .011  .0109  .0124  .0096  .0001  .0033 -.0011
O2   .8461  .0853  .6740  .013  .0160  .0117  .0109  .0065  .0037 -.0002
O3   .3129  .1023  .0383  .010  .0066  .0118  .0117 -.0005  .0029 -.0028
O4   .8419  .0541  .1691  .009  .0082  .0111  .0083  .0007  .0031  .0005
O5   .3525  .2094  .6257  .014  .0160  .0138  .0136 -.0009  .0066  .0044
H5A   .319   .316   .222   .01
H5B   .184   .258   .081   .01
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Mammothite
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Effenberger H
 
Tschermaks Mineralogische und Petrographische Mitteilungen 34 (1985) 279-288
The crystal structure of mammothite, Pb6Cu4AlSbO2(OH)16Cl4(SO4)2
Locality: Mammoth vein, Tiger, Arizona, USA
_database_code_amcsd 0015702
18.93 7.33 11.35 90 112.44 90 C2/m
atom      x       y      z  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Pb1  .21037       0 .17947 .0179  .0186  .0232  .0159      0  .0051      0
Pb2  .42277  .25855 .20296 .0189  .0226  .0173  .0216 -.0022  .0064 -.0004
Cu1     .25     .25     .5 .0155  .0190  .0142  .0154 -.0019  .0027 -.0001
Cu2   .1042       0  .3685 .0151  .0167  .0168  .0178      0  .0078      0
Al        0       0     .5  .009  .0010   .014   .004      0   .002      0
Sb        0       0      0 .0143  .0149  .0174  .0129      0  .0029      0
O     .0021       0 -.1695  .015   .023   .013   .018      0   .013      0
OH1   .2386       0 -.4393  .019   .018   .013   .030      0   .006      0
OH2   .0872       0 -.3442  .017   .008   .017   .025      0  -.001      0
OH3   .0831   .1854  .0426  .019   .020   .024   .018  -.001   .005   .003
OH4   .0409   .1717  .4173  .016   .022   .013   .021   .006   .008   .008
OH5   .1695   .1833  .3398  .014   .020   .014   .013  -.004   .005   .002
Cl1   .3679       0  .3963  .030   .035   .030   .025      0  -.002      0
Cl2   .4491       0 -.1995  .023   .029   .019   .028      0   .008      0
S1    .2497       0 -.0953  .015   .013   .021   .014      0   .003      0
OS1   .1776       0 -.0709  .020   .005   .039   .021      0   .005      0
OS2   .3103       0  .0298  .036   .015   .064   .029      0   .000      0
OS3   .2482   .1596 -.1686  .034   .047   .028   .030  -.010   .006   .006
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