American Mineralogist Crystal Structure Database

85 matching records for this search.

Whitmoreite
Download hom/whitmoreite.pdf
Moore P B, Kampf A R, Irving A J
Download am/vol59/AM59_900.pdf
American Mineralogist 59 (1974) 900-905
Whitmoreite, FeFe2(OH)2(H2O)4[PO4]2, a new species: Its description and atomic
arrangement
_database_code_amcsd 0000411
10.00 9.73 5.471 90 93.8 90 P2_1/c
atom     x     y    z occ Biso
Fe1      0     0    0 .59 1.9
Mn1      0     0    0 .27 1.9
Fe2  .4603 .1373 .341     2.7
P    .3027 .4256 .325      .7
O1    .393  .477 .124     1.6
O2    .359  .481 .579     2.1
O3    .158  .482 .275     2.5
O4    .304  .262 .317     2.9
OH    .556  .235 .076     1.6
Wat1  .134 -.102 .298     3.1
Wat2  .047  .183 .188     3.3
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Foggite
Download hom/foggite.pdf
Moore P B, Kampf A R, Araki T
Download am/vol60/AM60_965.pdf
American Mineralogist 60 (1975) 965-971
Foggite, Ca(H2O)2[CaAl2(OH)4(PO4)2]: Its atomic arrangement and
relationship to calcium Tschermak's pyroxene
_database_code_amcsd 0000473
9.270 21.324 5.190 90 90 90 A2_122
atom      x     y     z occ Biso
Ca1       0 .3614     0      .66
Ca2     .25    .5 .0870     1.35
Al1       0 .1945     0      .52
Al2       0 .2622    .5      .49
P     .2143 .3833 .5702      .48
O1    .3756 .3680 .6243      .71
O2    .1255 .3233 .6339      .68
O3    .1653 .4324 .7659      .76
O4    .1881 .4040 .2922      .87
OH1   .1067 .2015 .6844      .62
OH2  -.0995 .2608 .8205      .57
Wat1     .5 .4512     0     3.34
Wat2  .4780 .4741 .2165  .5 1.26
Wat3  .4617 .4793 .3513  .5  .93
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Olmsteadite
Download hom/olmsteadite.pdf
Moore P B, Araki T, Kampf A R, Steele I M
Download am/vol61/AM61_5.pdf
American Mineralogist 61 (1976) 5-11
Olmstaedite, K2Fe2[Fe2(Nb,Ta)2O4(H2O)4(PO4)4], a new species, its crystal
structure and relation to vauxite and montgomeryite
_database_code_amcsd 0000485
7.512 10.000 6.492 90 90 90 Pb2_1m
atom      x      y      z occ Biso
Nb   .27254 .73837      0 .59  .44
Ta   .27254 .73837      0 .41  .44
Fe   .02061      0 .24183      .77
K    .53021 .97416     .5     2.56
P1    .1832  .7412     .5      .61
P2    .3253  .4149      0      .55
O1    .0823  .8729     .5      .87
O2    .0631  .6192     .5     1.79
O3    .3059  .7376  .3090     1.23
O4    .4180  .5547      0      .87
O5    .4723  .3067      0     1.04
O6    .2138  .3978  .1976      .91
O7    .1575  .8999      0     1.16
O8    .0735  .6317      0     1.34
Wat   .2524  .1117  .2720     2.52
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Bermanite
Download hom/bermanite.pdf
Kampf A R, Moore P B
Download am/vol61/AM61_1241.pdf
American Mineralogist 61 (1976) 1241-1248
The crystal structure of bermanite, a hydrated manganese phosphate
_database_code_amcsd 0000544
5.446 19.250 5.428 90 110.3 90 P2_1
atom     x     y     z Biso
Mn1  .4250     0 .2368  .53
Mn2  .9207 .0013 .7361  .55
Mn3  .5386 .2509 .5082 1.58
P1   .4450 .0958 .7116  .53
P2   .3951 .9046 .7603  .44
O1    .327 .0749  .415  .90
O2    .514 .9255  .057  .60
O3    .292 .0605  .870  .70
O4    .549 .9398  .605  .70
O5    .739 .0734  .829  .80
O6    .101 .9260  .644  .60
O7    .409 .1742  .726  .90
O8    .597 .3254  .257  .90
OH1   .786 .0344  .377  .80
OH2   .059 .9713  .101  .50
Wat1  .838 .1863  .443 1.70
Wat2  .241 .3156  .599 1.60
Wat3  .255 .2042  .133 1.40
Wat4  .821 .2909  .877 1.80
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Melonjosephite
Download hom/melonjosephite.pdf
Kampf A R, Moore P B
Download am/vol62/AM62_60.pdf
American Mineralogist 62 (1977) 60-66
Melonjosephite, calcium iron hydroxy phosphate: its crystal structure
_database_code_amcsd 0000555
9.542 10.834 6.374 90 90 90 Pbam
atom     x     y     z Biso
Fe1      0     0 .2670  .66
Fe2  .3434 .0553    .5  .58
Ca   .4259 .2324     0  .96
P1   .0921 .2441    .5  .44
P2   .2081 .4779     0  .48
O1   .0285 .1826 .3028  .57
O2   .2511 .2307    .5  .86
O3   .0502 .3817    .5  .75
O4   .3730 .4691     0  .90
O5   .3392 .0566 .1866  .74
O6   .1563 .3466     0  .98
Oh   .3474 .4725    .5  .78
H      .32   .40    .5
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Schoonerite
Download hom/schoonerite.pdf
Kampf A R
Download am/vol62/AM62_250.pdf
American Mineralogist 62 (1977) 250-255
Schoonerite: its atomic arrangement
_database_code_amcsd 0000562
11.119 25.546 6.437 90 90 90 Pmab
atom     x     y     z Biso
Zn     .25 .1034 .8538 1.80
Mn     .25 .4149 .2255 1.41
Fe1      0   .25 .0879 1.08
Fe2      0   .25 .5770 1.57
Fe3    .25 .1871 .3272  .67
P1   .0303 .1199 .1427  .69
P2     .25 .2169 .8248  .53
O1    .024 .3282  .060 1.40
O2    .067 .4153  .228 1.10
O3    .091 .0917  .957 1.60
O4    .122 .1320  .320 1.20
O5     .25 .1820  .022  .60
O6     .25 .1788  .636  .70
O7    .136 .2505  .825 1.20
OH    .124 .2430  .329 1.50
Wat1  .260 .3329  .618 1.10
Wat2   .25 .3451  .437 1.10
Wat3   .25 .3623  .952 2.00
Wat4   .25 .4614  .517 1.40
Wat5   .25 .4882  .038 2.00
Wat6   .25 .0659  .584 2.90
Wat7  .054 .4815  .763 2.00
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Minyulite
Download hom/minyulite.pdf
Kampf A R
Download am/vol62/AM62_256.pdf
American Mineralogist 62 (1977) 256-262
Minyulite: its atomic arrangement
_database_code_amcsd 0000563
9.337 9.740 5.522 90 90 90 Pba2
atom     x     y     z B(1,1) B(2,2) B(3,3)  B(1,2)  B(1,3)  B(2,3)
K        0     0     0  .0031  .0049  .0172 -.00070       0       0
Al   .3591 .1105 .9545  .0016  .0016  .0055  .00010 -.00030 -.00010
P    .1470 .3243 .2040  .0016  .0016  .0047  .00230  .00060  .00060
O1   .4832 .1789 .1798  .0016  .0029  .0070 -.00010  .00010 -.00060
O2   .2075 .4658 .1382  .0020  .0018  .0119  .00010 -.00090  .00070
O3   .2075 .2168 .0310  .0023  .0023  .0089  .00070  .00000 -.00130
O4   .1850 .2918 .4675  .0028  .0037  .0070  .00030 -.00040  .00090
OW1  .2383 .0429 .6793  .0035  .0029  .0071  .00060  .00000 -.00100
OW2  .4285 .2511 .7202  .0030  .0029  .0079  .00030  .00030  .00050
F        0    .5 .8217  .0024  .0024  .0060 -.00090       0       0
H1   .2260 .1100 .5960
H2   .2340 .4860 .5970
H3   .3520 .2630 .6060
H4   .0020 .2810 .6080
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Ca(H2O)3(C2O4)
 
Deganello S, Kampf A R, Moore P B
Download am/vol66/AM66_859.pdf
American Mineralogist 66 (1981) 859-865
The crystal structure of calcium oxalate trihydrate Ca(H2O)3(C2O4)
_database_code_amcsd 0000844
7.145 8.600 6.099 112.30 108.87 89.92 P-1
atom      x      y      z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ca    .2810  .3079  .2161  .0110  .0058  .0127  .0002  .0050  .0026
C1   -.4015  .0501  .1082  .0124  .0100  .0297 -.0011  .0064  .0025
C2    .4285  .4439 -.1331  .0105  .0082  .0184 -.0008  .0037  .0038
O1   -.4113  .1936  .2612  .0138  .0086  .0334  .0001  .0049 -.0044
O2    .2479  .0225 -.1109  .0119  .0106  .0342  .0010  .0060 -.0010
O3    .2846  .3558 -.1421  .0205  .0198  .0202 -.0109  .0038  .0061
O4    .4643  .4484 -.3198  .0153  .0101  .0157 -.0026  .0058  .0042
Wat1  .1370  .1275  .3608  .0141  .0138  .0187 -.0046  .0008  .0047
Wat2  .1240 -.4439  .3688  .0120  .0116  .0362  .0012 -.0008 -.0014
Wat3  .0815 -.2452  .0550  .0206  .0129  .0385  .0004  .0022  .0091
H1     .014   .434   .646
H2     .803   .345   .487
H3     .865   .326   .853
H4     .989   .101   .313
H5     .211   .165   .540
H6     .823   .136   .808
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Gainesite
Download hom/gainesite.pdf
Moore P B, Araki T, Steele I M, Swihart G H, Kampf A R
Download am/vol68/AM68_1022.pdf
American Mineralogist 68 (1983) 1022-1028
Gainesite, sodium zirconium beryllophosphate: A new mineral and its crystal
structure
_database_code_amcsd 0000922
6.567 6.567 17.119 90 90 90 *I4_1/amd
0 -.25 .125
atom x     y     z  occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Na1  0 .0352 .0352 .135 0.0198 0.0344 0.0021      0      0 0.0067
Na2  0 .6654 .0398 .104 0.0144 0.0585 0.0027      0      0 0.0058
Zr   0   .25  .375      0.0036 0.0036 0.0007      0      0      0
Be   0   .75  .125   .5 0.0154 0.0154 0.0019      0      0      0
P    0 .1760 .1742   .5 0.0035 0.0053 0.0007      0      0 -.0002
O1   0   .25 .2551      0.0107 0.0107 0.0010      0      0      0
O2   0 .5645 .3781      0.0109 0.0037 0.0012      0      0 -.0003
O3   0 .5540 .1826   .5 0.0125 0.0057 0.0016      0      0 0.0002
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Miguelromeroite
 
Kampf A R, Ross C R
Download am/vol73/AM73_1172.pdf
American Mineralogist 73 (1988) 1172-1178
End-member villyaellenite from Mapimi, Durango, Mexico: Descriptive mineralogy,
crystal structure, and implications for the ordering of Mn and Ca in type
villyaellenite
Note: refinition of villyaellenite and introduction of miguelromeroite
results in a name change for this structure refinement
Locality: Mapimi, Durango, Mexico
_database_code_amcsd 0001199
18.015 9.261 9.770 90 96.238 90 C2/c
atom     x     y     z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Mn1     .5 .3943   .75 .97  .0210  .0240  .0062      0  .0011      0
Mn2  .3150 .0874 .1878 .84  .0220  .0220  .0170  .0014  .0005  .0009
Zn2  .3150 .0874 .1878 .16  .0220  .0220  .0170  .0014  .0005  .0009
Mn3  .3257 .4713 .1375 .96  .0218  .0238  .0175 -.0006  .0015 -.0021
Ca3  .3257 .4713 .1375 .04  .0218  .0238  .0175 -.0006  .0015 -.0021
As1  .4168 .3157 .4109      .0218  .0236  .0146  .0007  .0005  .0000
As2  .6611 .2363 .6239      .0198  .0226  .0149 -.0001  .0001  .0004
O1   .4237 .4360 .2892      .0224  .0270  .0198  .0038  .0001  .0029
O2   .3389 .2240 .3631      .0297  .0354  .0156  .0003  .0003 -.0022
O3   .4150 .3915 .5657      .0187  .0418  .0263  .0006 -.0085  .0049
O4   .6648 .2574 .4528      .0244  .0275  .0073 -.0031  .0028 -.0002
O5   .7069 .0874 .6788      .0272  .0239  .0193 -.0041 -.0026  .0104
O6   .7040 .3774 .7046      .0207  .0317  .0266  .0053  .0002 -.0134
O7   .5707 .2276 .6557      .0097  .0396  .0298  .0026 -.0003 -.0085
OH   .4897 .1981 .4226      .0257  .0400  .0294  .0087 -.0043 -.0069
Wat1 .2416 .4219 .4702      .0245  .0320  .0236  .0005 -.0039  .0032
Wat2 .5835 .0053 .8397      .0393  .0343  .0296  .0011  .0054  .0055
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Grandreefite
Download hom/grandreefite.pdf
Kampf A R
Download am/vol76/AM76_278.pdf
American Mineralogist 76 (1991) 278-282
Grandreefite, Pb2F2SO4: Crystal structure and relationship to the lanthanide
oxide sulfates, Ln2O2SO4
_database_code_amcsd 0001350
8.667 4.4419 14.242 90 107.418 90 A2/a
atom     x     y     z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Pb   .0785 .5089 .1548      0.0024 0.0075 .00052 0.0024 .00062 0.0003
S      .25  .050     0  0.2
F     .127  .967  .247  1.0
O1    .115  .252  .003  1.1
O2    .299  .858  .090  1.1
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Fransoletite
Download hom/fransoletite.pdf
Kampf A R
Download am/vol77/AM77_848.pdf
American Mineralogist 77 (1992) 848-856
Beryllophosphate chains in the structures of fransoletite, parafransoletite, and
ehrleite and some general comments on beryllophosphate linkages
_database_code_amcsd 0001531
7.3482 15.0522 7.0685 90 96.519 90 P2_1/a
atom     x     y     z Biso
Ca1  .6365 .1968 .9508  .77
Ca2      0     0     0 1.24
Be   .6328 .2105 .4481   .6
P1   .9741 .1514 .6470  .54
P2   .2903 .1520 .2322  .46
O1   .9272 .1430 .8506   .9
Oh2  .0993 .0690 .6114  1.1
O3   .0905 .2359 .6386  1.0
O4   .8028 .1486 .4959   .5
O5   .3451 .1711 .0346  1.0
O6   .1561 .2284 .2652  1.1
O7   .1886 .0635 .2436  1.0
O8   .4558 .1465 .3850   .8
OW1  .5234 .0631 .7515  1.1
OW2  .7390 .0625 .1445  1.2
H     .108  .063  .484  3.2
H1a   .425  .088  .710  3.2
H1b   .581  .023  .756  3.2
H2a   .761  .086  .244  3.2
H2b   .718  .997  .121  3.2
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Parafransoletite
Download hom/parafransoletite.pdf
Kampf A R
Download am/vol77/AM77_848.pdf
American Mineralogist 77 (1992) 848-856
Beryllophosphate chains in the structures of fransoletite, parafransoletite, and
ehrleite and some general comments on beryllophosphate linkages
_database_code_amcsd 0001532
7.3275 7.6959 7.0606 94.903 96.820 101.865 P-1
atom     x     y     z Biso
Ca1  .7103 .3915 .9772 1.00
Ca2      0     0     0 1.22
Be   .7334 .4197 .4862   .7
P1   .0430 .3020 .6843  .75
P2   .3563 .3020 .2675  .76
O1   .9881 .2891 .8841  1.2
Oh2  .1335 .1384 .6353  1.3
O3   .1950 .4733 .6925  1.0
O4   .8779 .2872 .5286   .8
O5   .4137 .3307 .0716  1.2
O6   .2592 .4576 .3170   .9
O7   .2159 .1234 .2659  1.2
O8   .5252 .3028 .4202  1.1
OW1  .5521 .1270 .7520  1.4
OW2  .7603 .1256 .1473  1.2
H     .133  .129  .518  3.2
H1a   .496  .143  .632  3.2
H1b   .656  .098  .713  3.2
H2a   .817  .183  .253  3.2
H2b   .635  .067  .154  3.2
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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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Laurelite
Download hom/laurelite.pdf
Merlino S, Pasero M, Perchiazzi N, Kampf A R
Download am/vol81/AM81_1277.pdf
American Mineralogist 81 (1996) 1277-1281
Laurelite: Its crystal structure and relationship to alpha-PbF2
_database_code_amcsd 0001838
10.267 10.267 3.9844 90 90 120 P-6
atom     x     y  z  occ  Uiso
Pb1  .5845 .6934 .5 .955 .0164
Pb1'  .572  .710  0 .045  .051
Pb2  .8855 .5984  0 .955 .0162
Pb2'  .853  .568 .5 .045  .002
Pb3      0     0 .5 .955 .0291
Pb3'     0     0  0 .045   .04
Cl1    1/3   2/3  0       .022
Cl2    2/3   1/3 .5       .022
F1    .048  .620 .5       .018
F2    .609  .570  0       .024
F3    .079  .868  0       .039
F4    .834  .729 .5       .021
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Laurelite
Download hom/laurelite.pdf
Merlino S, Pasero M, Perchiazzi N, Kampf A R
Download am/vol81/AM81_1277.pdf
American Mineralogist 81 (1996) 1277-1281
Laurelite: Its crystal structure and relationship to alpha-PbF2
Note: Re-examination of the crystal by H Yang and A Kampf showed that
it was twinned, and the partially occupied sites were relicts.
_database_code_amcsd 0018359
10.267 10.267 3.9844 90 90 120 P-6
atom     x     y  z  Uiso
Pb1  .5845 .6934 .5 .0164
Pb2  .8855 .5984  0 .0162
Pb3      0     0 .5 .0291
Cl1    1/3   2/3  0  .022
Cl2    2/3   1/3 .5  .022
F1    .048  .620 .5  .018
F2    .609  .570  0  .024
F3    .079  .868  0  .039
F4    .834  .729 .5  .021
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Philolithite
Download hom/philolithite.pdf
Moore P B, Kampf A R, Sen Gupta P K
Download am/vol85/AM85_810.pdf
American Mineralogist 85 (2000) 810-816
The crystal structure of philolithite, a trellis-like open
framework based on cubic closest-packing of anions
_database_code_amcsd 0002461
12.627 12.627 12.595 90 90 90 *P4_2/nnm
-.25 .25 -.25
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  .05999 -.05999 .61863     .0141  .0142  .0142  .0139  .0015 -.0003  .0003
Pb2  .40559  .26285 .59807     .0130  .0141  .0140  .0110  .0004 -.0013  .0013
Mn1     3/4     .25    3/4      .016   .018   .018   .012      0      0      0
Mn2       0       0      0 .46  .015   .014   .014   .019  -.008   .003  -.003
Mg2       0       0      0 .54  .015   .014   .014   .019  -.008   .003  -.003
Mn3   .1660  -.1660  .9841 .68  .012   .011   .011   .012  -.000  -.001   .001
Mg3   .1660  -.1660  .9841 .32 . 012   .011   .011   .012  -.000  -.001   .001
S       3/4     .25    .25      .014   .016   .016   .012      0      0      0
C      .092   -.092   .211      .011
O1     .682   -.682   .184      .024
O2     .152   -.152   .160      .027
O3     .027   -.027   .160      .022
O4     .092   -.092   .313      .032
O5      .25     .25      0      .014
O6     .083    .083     .5      .005
OH7    .167   -.167   .497      .014
OH8    .166    .003   .970      .012
Cl    .0968     .25    .25      .023   .025   .032   .012      0      0  -.004
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Pararobertsite
Download hom/pararobertsite.pdf
Kampf A R
Download am/vol85/AM85_1302.pdf
American Mineralogist 85 (2000) 1302-1306
The crystal structure of pararobertsite and its relationship to mitridatite
_database_code_amcsd 0002513
8.814 13.233 11.056 90 101.184 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)
Mn1      0     0     0        .0074   .0112  .0055 -.0028  .0019  .0012
Mn2      0     0    .5        .0108   .0062  .0049  .0013  .0028  .0003
Mn3  .0130 .1311 .2380        .0086   .0081  .0054  .0003  .0016  .0012
Mn4  .0140 .2319 .4932        .0069   .0082  .0054 -.0013  .0008 -.0007
Ca1  .3384 .3707 .5725        .0084   .0137  .0214 -.0003  .0031 -.0008
Ca2  .6674 .1232 .3595        .0106   .0130  .0123 -.0015  .0002  .0000
P1   .2968 .1104 .4457        .0103   .0071  .0077 -.0009  .0024  .0015
P2   .0845 .1189 .7757        .0112   .0085  .0100 -.0002  .0023 -.0015
P3   .7281 .1407 .0292        .0063   .0090  .0067 -.0010  .0018 -.0007
O1   .4696 .1112 .4660        .0128   .0183  .0092  .0005  .0007  .0035
O2   .2361 .2038 .5065        .0062   .0101  .0079  .0022  .0015 -.0017
O3   .2344 .0125 .4985        .0150   .0041  .0141 -.0038  .0041  .0006
O4   .2280 .1135 .3039        .0109   .0173  .0058 -.0012  .0000  .0022
O5   .2558 .1180 .8283        .0104   .0143  .0240  .0010  .0030 -.0018
O6   .0089 .2162 .8103        .0136   .0114  .0130  .0038  .0077  .0004
O7   .0349 .1083 .6354        .0146   .0118  .0074 -.0025  .0027  .0012
O8   .0021 .0302 .8293        .0124   .0070  .0124  .0002  .0031  .0016
O9   .5574 .1429 .0003        .0091   .0196  .0106 -.0041  .0043 -.0008
O10  .7949 .2359 .9754        .0076   .0092  .0105 -.0013  .0037  .0029
O11  .7912 .1399 .1709        .0096   .0134  .0044  .0024 -.0002 -.0017
O12  .7866 .0429 .9729        .0066   .0158  .0086 -.0038  .0004 -.0071
O13  .9532 .1111 .3952        .0087   .0056  .0072  .0032  .0026 -.0014
O14  .0678 .1490 .0797        .0060   .0148  .0078  .0031 -.0004  .0024
O15  .5175 .0124 .2143        .0220   .0102  .0198 -.0002  .0029  .0049
O16  .4783 .2372 .2383        .0134   .0172  .0208  .0010  .0013 -.0016
O17  .6702 .3843 .1964        .0462   .0143  .0217 -.0027  .0172  .0037
H1   .4311 .9791 .2406 .0005
H2   .6035 .9367 .1929 .0005
H3   .5446 .2719 .2463 .0005
H4   .4150 .2680 .2482 .0005
H5   .7146 .3309 .1885 .0005
H6   .6275 .4330 .1204 .0005
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Aravaipaite
Download hom/aravaipaite.pdf
Kampf A R
Download am/vol86/AM86_927.pdf
American Mineralogist 86 (2001) 927-931
The crystal structure of aravaipaite
_database_code_amcsd 0002659
25.048 5.8459 5.6805 90 94.013 90 P2_1/n
atom      x      y      z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Pb1  .06747 .83423 .69379  .0178  .0126  .0148 -.0001  .0016  .0012
Pb2  .19124 .82727 .24796  .0179  .0148  .0209 -.0010  .0009 -.0008
Pb3  .19100 .36170 .72273  .0184  .0139  .0146 -.0018  .0013 -.0004
Al    .0960  .3161  .2001   .012   .011   .008  -.003   .002   .004
F1    .1124   .149   .943   .014   .041   .023  -.007   .005  -.021
F2    .1678   .368   .259   .012   .029   .037  -.008  -.005  -.004
F3    .0261   .271   .141   .011   .053   .015  -.003  -.006   .004
F4    .0847   .464   .472   .040   .011   .021  -.004   .003  -.008
F5    .1038   .055   .379   .038   .019   .043   .013   .025   .018
F6    .0942   .571   .033   .045   .029   .036   .006   .006   .014
F7    .2542   .580   .497   .003   .014   .020   .004   .002  -.001
F8    .2514   .577   .997   .017   .012   .016  -.003  -.003   .003
F9    .1653   .764   .683   .033   .019   .038  -.005   .020  -.008
O     .9925   .778   .344   .023   .023   .018  -.001   .001   .005
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Calcioaravaipaite
Download hom/calcioaravaipaite.pdf
Kampf A R, Merlino S, Pasero M
Download am/vol88/AM88_430.pdf
American Mineralogist 88 (2003) 430-435
Order-disorder approach to calcioaravaipaite, [PbCa2Al(F,OH)9]:
The crystal structure of the triclinic MDO polytype
_database_code_amcsd 0002987
7.722 7.516 12.206 98.86 96.91 90.00 C-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  .74457 .52709 .10749 .0202  .0207  .0218  .0185  .0001  .0041  .0027
Ca1   .3925  .6497  .6144 .0120  .0105  .0102  .0160  .0001  .0030  .0028
Ca2   .8932  .6576  .6137 .0118  .0115  .0082  .0155 -.0009  .0017  .0013
Al1   .2511  .5453  .1813 .0142   .013   .014   .018 -.0003   .003   .005
F1    .0673  .5655  .2648  .017   .013   .020   .020  -.004   .006   .004
F2    .8449  .8984  .2749  .021   .018   .028   .020   .003   .004   .005
F3    .1484  .6981  .0948  .030   .016   .015   .023   .000   .002  -.006
F4    .4319  .5265  .1002  .022   .030   .025   .035   .004  -.002   .013
F5    .6474  .8513  .0930  .027   .013   .009   .014  -.001   .002  -.001
F6    .3443  .7371  .2768  .019   .016   .010   .015   .002   .004   .000
F7    .1273  .6210  .4991  .012   .019   .022   .027   .007   .004   .013
F8    .6201  .6304  .5053  .014   .027   .015   .020  -.003   .004   .003
F9    .6854  .5714  .2905  .021   .028   .021   .029  -.008  -.004  -.002
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Datolite
Download hom/datolite.pdf
Perchiazzi N, Gualtieri A F, Merlino S, Kampf A R
Download am/vol89/AM89_767.pdf
American Mineralogist 89 (2004) 767-776
The atomic structure of bakerite and its relationship to datolite
Sample: #45837, single crystal data
_database_code_amcsd 0003540
4.850 7.627 9.659 90 90.255 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   .9916 .1066 .3357 .012   .011   .012   .013   .000   .001   .000
Si   .4692 .2657 .0846 .011   .011   .011   .011   .000   .001  -.001
B    .5692 .4107 .3417 .010   .008   .011   .012   .001  -.001  -.002
O1   .2430 .4011 .0374 .013   .013   .013   .014   .002  -.001  -.001
O2   .6707 .3006 .4581 .011   .008   .014   .013   .001   .000   .001
O3   .6755 .3335 .2107 .012   .010   .014   .012   .000  -.001  -.001
O4   .3148 .0877 .1462 .011   .010   .010   .015  -.001   .003   .001
O5   .2587 .4130 .3356 .012   .010   .015   .012   .002   .001  -.002
H     .234  .455  .401 .020
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Bakerite
Download hom/bakerite.pdf
Perchiazzi N, Gualtieri A F, Merlino S, Kampf A R
Download am/vol89/AM89_767.pdf
American Mineralogist 89 (2004) 767-776
The atomic structure of bakerite and its relationship to datolite
Sample: Refinement of the conventional X-ray data for sample #92735
_database_code_amcsd 0003541
4.8014 7.5780 9.5419 90 90.434 90 P2_1/c
atom     x      y      z occ Uiso
Ca   .9914 .10838 .33369     .026
SiT1 .4738 .26347 .08664 .75 .025
BT1  .4738 .26347 .08664 .25 .025
BT2  .5629 .41243 .33705     .028
O1   .2604  .4081  .0389 .75 .020
OH1  .2604  .4081  .0389 .25 .020
O2   .6604  .3046  .4559     .027
O3   .6850  .3265  .2104     .022
O4   .3226  .0935  .1454     .021
OH5  .2582  .4115  .3368     .026
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Bakerite
Download hom/bakerite.pdf
Perchiazzi N, Gualtieri A F, Merlino S, Kampf A R
Download am/vol89/AM89_767.pdf
American Mineralogist 89 (2004) 767-776
The atomic structure of bakerite and its relationship to datolite
Sample: Refinement of the synchrotron data for sample #92735
_database_code_amcsd 0003542
4.8005 7.5788 9.5432 90 90.437 90 P2_1/c
atom     x      y      z occ Uiso
Ca   .9918 .10663 .33305     .013
SiT1 .4793  .2630  .0881 .75 .013
BT1  .4793  .2630  .0881 .25 .013
BT2  .5593  .4086  .3395     .021
O1   .2592  .4013  .0346 .75 .011
OH1  .2592  .4013  .0346 .25 .011
O2   .6733  .3050  .4598     .011
O3   .6854  .3267  .2108     .010
O4   .3135  .0901  .1454     .019
OH5  .2540  .4066  .3402     .011
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Bakerite
Download hom/bakerite.pdf
Perchiazzi N, Gualtieri A F, Merlino S, Kampf A R
Download am/vol89/AM89_767.pdf
American Mineralogist 89 (2004) 767-776
The atomic structure of bakerite and its relationship to datolite
Sample: Refinement of the neutron data (RT) for sample #92735
_database_code_amcsd 0003543
4.7967 7.5711 9.5321 90 90.427 90 P2_1/c
atom     x     y      z occ Uiso
Ca   .9936 .1082  .3315    .0054
SiT1 .4761 .2578  .0896 .75 .014
BT1  .4761 .2578  .0896 .25 .014
BT2  .5684 .4063  .3423     .012
O1   .2616 .4013  .0375     .015
O2   .6681 .2999  .4611     .009
O3   .6775 .3320  .2103     .011
O4   .3166 .0868  .1445     .008
O5   .2595 .4087  .3392     .012
H1   .1995 .4668  .4328     .044
H2   .3994 .4663 -.0066 .25 .044
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Bakerite
Download hom/bakerite.pdf
Perchiazzi N, Gualtieri A F, Merlino S, Kampf A R
Download am/vol89/AM89_767.pdf
American Mineralogist 89 (2004) 767-776
The atomic structure of bakerite and its relationship to datolite
Sample: Refinement of the neutron data (LT) for sample #92735
_database_code_amcsd 0003544
4.7892 7.5644 9.5362 90 90.476 90 P2_1/c
atom     x     y     z occ Uiso
Ca   .9958 .1103 .3326     .012
SiT1 .4768 .2534 .0857 .75 .008
BT1  .4768 .2534 .0857 .25 .008
BT2  .5691 .4074 .3426     .010
O1   .2614 .4036 .0412     .014
O2   .6759 .3032 .4632     .014
O3   .6762 .3259 .2126     .015
O4   .3146 .0872 .1439     .009
O5   .2581 .4081 .3397     .008
H1   .1943 .4595 .4301     .026
H2   .4142 .4826 .0047 .25 .026
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Bakerite
Download hom/bakerite.pdf
Perchiazzi N, Gualtieri A F, Merlino S, Kampf A R
Download am/vol89/AM89_767.pdf
American Mineralogist 89 (2004) 767-776
The atomic structure of bakerite and its relationship to datolite
Sample: Combined refinement
_database_code_amcsd 0003545
4.80042 7.57864 9.5426 90 90.435 90 P2_1/c
atom      x      y      z occ  Uiso
Ca   .99295 .10749 .33320     .0129
SiT1  .4754 .26337 .08782 .75 .0114
BT1   .4754 .26337 .08782 .25 .0114
BT2   .5623 .41009 .33929      .014
O1    .2566  .4032 .03594      .011
O2    .6685  .3032 .45842      .009
O3    .6854  .3277 .21010      .008
O4    .3146  .0909 .14570      .012
O5    .2557  .4065 .33656      .016
H1    .1877  .4614  .4290      .031
H2    .4265  .4772  .0387 .25  .031
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Phosphohedyphane
 
Kampf A R, Steele I M, Jenkins R A
 
American Mineralogist 91 (2006) 1909-1917
Phosphohedyphane, Ca2Pb3(PO4)3Cl, the phosphate analogue of hedyphane:
Description and crystal structure
Locality: Capitana mine, Copiapo, Atacama Province, Chile
_database_code_amcsd 0004255
9.857 9.857 7.130 90 90 120 P6_3/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)
Ca1    1/3   2/3 .0068 .919 .014   .014   .014   .015   .007      0      0
Pb1    1/3   2/3 .0068 .081 .014   .014   .014   .015   .007      0      0
Pb2  .2574 .0083   .25      .015   .010   .013   .020   .005      0      0
P    .4192 .3868   .25 .907 .010   .008   .007   .014   .004      0      0
As   .4192 .3868   .25 .093 .010   .008   .007   .014   .004      0      0
O1   .3677 .5099   .25      .016   .015   .012   .025   .010      0      0
O2   .6029 .4681   .25      .017   .005   .007   .038   .002      0      0
O3   .3640 .2801 .0761      .026   .037   .025   .025   .022  -.020  -.013
Cl       0     0     0      .017   .015   .015   .019   .008      0      0
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Meurigite-K
 
Kampf A R, Pluth J J, Chen Y S
Download am/vol92/AM92_1518.pdf
American Mineralogist 92 (2007) 1518-1524
The crystal structure of meurigite
Locality: Santa Rita mine, Grant County, New Mexico
_database_code_amcsd 0004452
29.018 5.1892 19.695 90 106.987 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)
K1   .4309  .548 .4743 .264  .096   .087   .150   .041   .052   .001   .009
K2   .4150  .308 .4687 .198  .061   .076   .069   .031  -.032   .005   .011
Fe1  .3257 .4157 .6374 .937 .0063  .0070  .0040  .0077  .0006  .0019 -.0001
Fe2  .3785 .3837 .7894 .938 .0065  .0070  .0043  .0082 -.0003  .0022  .0003
Fe3  .4504 .1396 .6688 .922 .0058  .0055  .0044  .0071  .0001  .0014  .0000
Fe4  .2952 .1875 .8794 .929 .0070  .0068  .0055  .0088 -.0008  .0024  .0005
P1   .3514 .9314 .5494 .927 .0051  .0051  .0037  .0064 -.0004  .0015 -.0011
P2   .3053 .9043 .7390 .866 .0040  .0045  .0009  .0069 -.0001  .0024 -.0006
P3   .4459 .8815 .8119 .934 .0058  .0059  .0038  .0076 -.0008  .0019  .0009
O1   .4041 .9978 .5846      .0141   .008   .017   .016  -.002   .001  -.003
O2   .3418 .9391 .4688      .0127   .013   .014   .011  -.002   .003  -.001
O3   .3182 .1243 .5720      .0152   .016   .013   .017   .001   .005  -.006
O4   .3398 .6584 .5710      .0156   .021   .009   .017  -.002   .006   .004
O5   .2529 .8770 .6957      .0154   .009   .014   .019   .001  -.001  -.007
O6   .3117 .9129 .8204      .0146   .021   .007   .018  -.001   .009   .000
O7   .3269 .1619 .7199      .0118   .015   .008   .012  -.001   .004   .001
O8   .3347 .6691 .7237      .0105   .012   .009   .011   .001   .004   .001
O9   .4167 .0966 .8328      .0161   .021   .011   .017   .008   .007   .004
O10  .4299 .6221 .8344      .0139   .018   .008   .015  -.005   .004   .003
O11  .4379 .8738 .7312      .0134   .017   .012   .012  -.003   .004   .001
O12  .5004 .9152 .6473      .0154   .009   .019   .017   .001   .002  -.004
OH1  .2564 .4681 .6052      .0146   .009   .012   .023   .001   .004  -.005
OH2  .3991 .3834 .6920      .0110   .011   .008   .013   .001   .002   .001
OH3  .3444 .4240 .8609      .0110   .013   .007   .014  -.002   .007   .000
OH4     .5 .3041   .75      .0127   .012   .012   .012      0   .000      0
Wat1 .2770 .4744 .9450      .0155   .015   .016   .016   .005   .004  -.001
Wat2 .4636 .4287 .6062      .0251   .037   .016   .019  -.013   .004   .003
Wat3 .4515 .9870 .4807 .903  .167   .061   .432   .014  -.092   .021  -.030
Wat4    .5     0    .5 .629  .106   .183   .120   .025   .000   .045   .020
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Jahnsite-(NaFeMg)
 
Kampf A R, Steele I M, Loomis T A
 
American Mineralogist 93 (2008) 940-945
Jahnsite-(NaFeMg), a new mineral from the Tip Top mine, Custer County,
South Dakota: Description and crystal structure
Locality: Tip Top mine, Custer County, South Dakota
_database_code_amcsd 0004587
15.0811 7.1403 9.8299 90 110.445 90 P2/a
atom     x     y     z  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Na     1/4 .9701     0 .0203  .0204  .0136  .0204      0 -.0012      0
Fe1    1/4 .4713     0 .0083  .0067  .0096  .0088      0  .0031      0
Mg1    1/2     0   1/2 .0125  .0131  .0116  .0116 -.0004  .0027 -.0024
Mg2    1/4 .5057   1/2 .0111  .0124  .0120  .0088      0  .0034      0
Fe2      0     0     0 .0084  .0095  .0062  .0098 -.0000  .0037 -.0006
Fe3      0   1/2     0 .0085  .0080  .0072  .0104  .0001  .0036  .0007
P1   .1870 .2677 .1856 .0089  .0082  .0094  .0085 -.0003  .0023 -.0009
P2   .0800 .7419 .7963 .0093  .0089  .0100  .0091  .0012  .0034  .0007
O1   .2789 .2510 .1489 .0157   .009   .021   .018   .005   .005   .004
O2   .2082 .3103 .3435 .0187   .023   .020   .014   .001   .007  -.001
O3   .1264 .0929 .1411 .0176   .016   .013   .019  -.005   .000  -.001
O4   .1405 .4378 .0810 .0120   .009   .014   .013   .001   .004   .003
O5   .1837 .6682 .8599 .0165   .010   .022   .017   .004   .004   .004
O6   .0574 .7822 .6364 .0149   .020   .013   .011   .001   .005   .003
O7   .0750 .9217 .8777 .0166   .021   .014   .019  -.002   .012  -.003
O8   .0126 .5928 .8173 .0133   .013   .012   .015  -.001   .006   .002
Oh   .0274 .7509 .0992 .0140   .017   .010   .017   .001   .008  -.002
OW1  .2272 .7264 .3420 .0270   .033   .027   .025   .010   .015   .006
OW2  .4484 .2126 .3482 .0298   .034   .022   .020  -.003  -.006   .003
OW3  .6269 .9869 .4565 .0285   .024   .026   .039  -.001   .016  -.005
OW4  .3907 .5152 .5161 .0211   .017   .022   .024  -.002   .007   .006
HOh   .996  .749  .162  .050
H1a   .258  .717  .278   .05
H1b   .167  .748  .293  .050
H2a   .434  .298  .405  .050
H2b   .395  .201  .269   .05
H3a   .618  .046  .371   .05
H3b   .659  .884  .452  .050
H4a   .416  .605  .478  .050
H4b   .425  .491  .606  .050
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Ottoite
 
Kampf A R, Housley R M, Mills S J, Marty J, Thorne B
 
American Mineralogist 95 (2010) 1329-1336
Lead-tellurium oxysalts from Otto Mountain near Baker, California:
I. Ottoite, Pb2TeO5, a new mineral with chains of tellurate octahedra
Locality: Otto Mountain, Baker, California, USA
_database_code_amcsd 0017558
7.5353 5.7142 10.8981 90 91.330 90 I2/a
atom      x      y      z  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Pb   .34125 .00490 .33909 .0125  .0089  .0134  .0152  .0010 -.0003  .0012
Te       .5     .5     .5 .0063  .0052  .0069  .0069 -.0002  .0008  .0007
O1    .5726  .7973  .4417  .013   .010   .008   .021  -.002  -.002   .010
O2    .4653  .3854  .3373  .014   .016   .020   .006  -.007   .000  -.003
O3      .25  .6256     .5  .010   .002   .010   .017   .000   .002   .000
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Housleyite
 
Kampf A R, Marty J, Thorne B
 
American Mineralogist 95 (2010) 1337-1342
Lead-tellurium oxysalts from Otto Mountain near Baker, California:
II. Housleyite, Pb6CuTe4O18(OH)2, a new mineral with Cu-Te octahedral sheets
Locality: Otto Mountain, Baker, California, USA
_database_code_amcsd 0017559
7.8552 10.4836 11.0426 90 95.547 90 P2_1/n
atom      x      y      z  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Pb1  .34533 .18063 .57768 .0127  .0139  .0141  .0098  .0011 -.0005  .0007
Pb2  .45212 .53120 .66438 .0195  .0243  .0236  .0117 -.0124  .0075 -.0038
Pb3  .97051 .62715 .60367 .0184  .0143  .0239  .0166 -.0046 -.0009  .0046
Cu       .5     .5      1 .0099  .0108  .0094  .0092 -.0012 -.0009 -.0006
Te1  .15518 .36603 .80124 .0064  .0069  .0071  .0050 -.0001 -.0003 -.0001
Te2  .79491 .24012 .60876 .0067  .0071  .0075  .0055 -.0002 -.0001  .0002
O1    .9867  .1837  .5294  .011   .011   .014   .011   .000   .006   .003
O2    .3556  .4708  .8464  .009   .006   .012   .009  -.006  -.002   .002
O3    .6314  .1811  .4692  .008   .008   .014   .002  -.004   .001   .001
O4    .9378  .2708  .7623  .009   .006   .011   .008  -.003  -.003   .001
O5    .2719  .2069  .7829  .009   .012   .008   .006   .005  -.002   .002
O6    .1875  .4107  .6398  .015   .020   .019   .005  -.009   .000   .000
O7    .4811  .0130  .6798  .012   .012   .010   .016  -.001   .004  -.001
O8    .8162  .4033  .5396  .016   .020   .011   .016  -.001  -.002   .002
O9    .5924  .2811  .6814  .014   .013   .021   .009  -.003   .002  -.002
Oh    .7945  .0613  .6673  .015   .009   .020   .015   .000   .000   .004
H      .695   .081   .697  .050
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Thorneite
 
Kampf A R, Housley R M, Marty J
 
American Mineralogist 95 (2010) 1548-1553
Lead-tellurium oxysalts from Otto Mountain near Baker, California: III.
Thorneite, Pb6(Te6+2O10)(CO3)Cl2(H2O), the first mineral with
edge-sharing octahedral tellurate dimers
Locality: Otto Mountain, Baker, California
_database_code_amcsd 0017719
21.305 11.059 7.564 90 101.112 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)
Pb1  .63753 .09635 .15303     .0186  .0139  .0241  .0165  .0015 -.0005 -.0012
Pb2  .69515 .41296 .96922     .0220  .0218  .0233  .0195 -.0020  .0007 -.0021
Pb3  .55264 .24366 .52254     .0283  .0177  .0376  .0279  .0056  .0006 -.0047
Te   .78842 .30010 .36271     .0134  .0114  .0160  .0128 -.0030  .0024 -.0008
C        .5  .9822    .25      .025   .028   .017   .025     .0  -.010     .0
Cl    .5884  .3933  .1682 .75  .057   .032   .080   .059   .006   .009  -.002
OH    .5884  .3933  .1682 .25  .057   .032   .080   .059   .006   .009  -.002
O1       .5  .0990    .25      .052   .034   .033   .079     .0  -.015     .0
O2    .5487  .9265  .2183      .044   .022   .049   .063   .001   .013  -.009
O3    .7815  .4526  .2479      .026   .024   .028   .021  -.011  -.006   .008
O4    .6451  .2717  .7367      .020   .016   .028   .016  -.008   .003  -.012
O5    .7269  .2338  .1654      .016   .013   .019   .014  -.004  -.004   .004
O6    .6435  .1381  .4534      .014   .008   .025   .010  -.001   .003  -.002
O7    .7201  .3460  .4937      .012   .011   .013   .014   .002   .008  -.003
Owat     .5   .391    .75      .089   .095   .094   .081     .0   .022     .0
H      .525   .442   .829       .08
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Markcooperite
 
Kampf A R, Mills S J, Housley R M, Marty J, Thorne B
 
American Mineralogist 95 (2010) 1554-1559
Lead-tellurium oxysalts from Otto Mountain near Baker, California: IV.
Markcooperite, Pb(UO2)Te6+O6, the first natural uranyl tellurate
Locality: Otto Mountain, Baker, California
_database_code_amcsd 0017720
5.722 7.7478 7.889 90 90.833 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)
Pb   .4972 .1689 .6919     .0531   .044   .051   .064  -.003  -.003   .002
U1       0     0     0 .75 .0386   .035   .039   .042   .003   .003   .002
Te1      0     0     0 .25 .0386   .035   .039   .042   .003   .003   .002
Te2      0    .5     0     .0339   .029   .034   .039  -.003  -.001   .002
O1    .699 -.068 -.061      .054    .05    .05    .07    .01   -.03    .01
O2   -.137  .234  .505      .038    .06    .02    .03    .00   -.02    .00
O3    .295  .085  .429      .045    .02    .05    .06    .00    .00    .03
O4   -.114  .532 -.237      .040    .03    .02    .07   -.00   -.01    .01
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Timroseite
 
Kampf A R, Mills S J, Housley R M, Marty J, Thorne B
 
American Mineralogist 95 (2010) 1560-1568
Lead-tellurium oxysalts from Otto Mountain near Baker, California: V.
Timroseite, Pb2Cu2+5(Te6+O6)2(OH)2, and paratimroseite,
Pb2Cu2+4(Te6+O6)2(H2O)2, two new tellurates with Te-Cu polyhedral sheets
Locality: Otto Mountain, Baker, California
_database_code_amcsd 0017721
5.2000 9.6225 11.5340 90 90 90 P2_1nm
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   .1230  .0356      0 .94 .0229  .0198  .0213  .0277  .0041      0      0
Pb1a   .125   .077      0 .09  .060    .11   .037   .035   .032      0      0
Pb2   .3820 .38682     .5 .84 .0208  .0170  .0178  .0277  .0013      0      0
Pb2a   .279   .396     .5 .17  .062    .07   .075   .045  -.018      0      0
Cu1   .6694 .89920 .18488     .0146  .0131  .0093  .0214  .0003  .0017 -.0021
Cu2   .7204 .59878 .32206     .0155  .0136  .0108  .0220 -.0026  .0036 -.0022
Cu3   .1304  .7144     .5     .0222  .0194  .0267  .0204  .0026      0      0
Te    .2005 .74917 .24990     .0122  .0109  .0092  .0165 -.0004  .0001  .0003
O1    .3817  .6747  .3817     .0160   .006   .021   .021   .009   .004   .001
O2    .0013  .8259  .1236     .0143   .015   .014   .014  -.005  -.005   .006
O3    .3533  .9309  .2788     .0189   .021   .010   .025  -.004  -.005  -.002
O4    .9192  .7716  .3612     .0135   .010   .014   .016  -.006  -.003   .002
O5    .0365  .5718  .2178     .0160   .011   .006   .031   .005   .008  -.001
O6    .5044  .7173  .1587      .018   .022   .005   .026  -.005   .007  -.009
OH1    .530  .9473      0      .021   .017   .023   .023   .002      0      0
OH2    .798  .5066     .5      .024   .010   .040   .022   .003      0      0
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Paratimroseite
 
Kampf A R, Mills S J, Housley R M, Marty J, Thorne B
 
American Mineralogist 95 (2010) 1560-1568
Lead-tellurium oxysalts from Otto Mountain near Baker, California: V.
Timroseite, Pb2Cu2+5(Te6+O6)2(OH)2, and paratimroseite,
Pb2Cu2+4(Te6+O6)2(H2O)2, two new tellurates with Te-Cu polyhedral sheets
Locality: Otto Mountain, Baker, California
_database_code_amcsd 0017722
5.1943 9.6198 11.6746 90 90 90 P2_12_12_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   .48658 .37646 .71849 .0199  .0182  .0224  .0192  .0012  .0004  .0041
Cu1   .3802  .6442  .5457 .0148  .0090  .0157  .0196  .0007 -.0011  .0012
Cu2   .4205  .3513  .4222 .0145  .0090  .0159  .0184 -.0012 -.0015  .0005
Te    .8986 .49499 .49034 .0124  .0100  .0117  .0155  .0000 -.0003 -.0003
O1     .608  .5291  .3914  .016   .018   .015   .016  -.007  -.012   .002
O2     .195  .4730  .5870  .012
O3     .544  .8222  .5322  .023
O4     .741  .3179  .5188  .022   .018   .007   .041  -.010   .003   .005
O5     .415  .5715  .8624  .017   .007   .032   .012   .000   .000  -.003
O6     .696  .5660  .6193  .019   .018   .028   .011   .001   .010  -.002
Wat    .473  .7477  .2604  .024   .043   .008   .020  -.003   .008  -.005
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Telluroperite
 
Kampf A R, Mills S J, Housley R M, Marty J, Thorne B
 
American Mineralogist 95 (2010) 1569-1573
Lead-tellurium oxysalts from Otto Mountain near Baker, California:
VI. Telluroperite, Pb3Te4+O4Cl2, the Te analog of perite and nadorite
Locality: Otto Mountain, Baker, California
_database_code_amcsd 0017747
5.5649 5.5565 12.4750 90 90 90 Bmmb
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     0 .25 .3892     .021   .016   .018   .028      0      0      0
Pb2     0 .25 .0961 .50 .025   .013   .010   .052      0      0      0
Te2     0 .25 .0961 .50 .025   .013   .010   .052      0      0      0
O    .763   0     0     .018   .016   .021   .018      0      0  -.001
Cl      0 .25 .7473     .013   .019   .018   .000      0      0      0
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Aravaipaite
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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
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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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Fluorphosphohedyphane
 
Kampf A R, Housley R M
 
American Mineralogist 96 (2011) 423-429
Fluorphosphohedyphane, Ca2Pb3(PO4)3F, the first apatite supergroup mineral
with essential Pb and F
Locality: Blue Bell claims, near Baker, San Bernardino County, California, USA
_database_code_amcsd 0018322
9.6402 9.6402 7.0121 90 90 120 P6_3/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)
Ca1     1/3    2/3 .0046      .0085  .0093  .0093  .0068  .0047      0      0
Pb2  .23960 .00873   .25 .882 .0118  .0099  .0094  .0149  .0038      0      0
Ca2  .23960 .00873   .25 .118 .0118  .0099  .0094  .0149  .0038      0      0
P     .4183  .3880   .25      .0099  .0101  .0076  .0120  .0043      0      0
O1    .3592  .5078   .25       .016   .020   .014   .016   .011      0      0
O2    .6047  .4731   .25       .016   .011   .016   .024   .007      0      0
O3    .3610  .2780 .0733      .0188   .029   .016   .017   .014  -.007  -.005
F         0      0    .5       .057   .048   .048   .076   .024      0      0
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Brearleyite
 
Ma C, Connolly H C, Beckett J R, Tschauner O, Rossman G R, Kampf A R, Zega T J,
Sweeney Smith S A, Schrader D L
 
American Mineralogist 96 (2011) 1199-1206
Brearleyite, Ca12Al14O32Cl2, a new alteration mineral from the NWA 1934 meteorite
Locality: Northwest Africa 1934 CV3 carbonaceous chondrite
_database_code_amcsd 0018484
11.98 11.98 11.98 90 90 90 I-43d
atom    x    y    z occ
Ca1  .615    0  .25 .77
Ca2  .555    0  .25 .34
Al1  .013 .013 .013
Al2  .875    0  .25
O1   .792 .095  .30
O2   .170 .170 .170
Cl   .375    0  .25 .37
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Plumbophyllite
 
Kampf A R, Rossman G R, Housley R M
 
American Mineralogist 94 (2009) 1198-1204
Plumbophyllite, a new species from the Blue Bell claims near Baker, San Bernardino
County, California
Locality: Blue Bell claims near Baker, San Bernardino County, California, USA
_database_code_amcsd 0004972
13.2083 9.7832 8.6545 90 90 90 Pbcn
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   .53131 .18997 .46446     .01220  .0096  .0135  .0135 .00025 .00015 -.00134
Si1   .2749  .1825  .3184      .0071  .0071  .0067  .0075  .0009  .0004   .0005
Si2   .3044  .0755  .6398      .0072  .0070  .0070  .0075  .0015  .0012  -.0002
O1    .3926  .2162  .3017      .0134   .011   .017   .012  -.001   .000    .002
O2    .2433 -.0594  .6989      .0118   .012   .011   .013  -.001   .001    .003
O3    .2996  .1899  .7771      .0135   .015   .013   .013   .006  -.005   -.003
O4    .2416  .1370  .4927      .0108   .012   .014   .006   .001   .002    .004
O5    .4179  .0378  .5937      .0140   .011   .012   .019   .004   .005    .003
Wat   .4610  .4439  .6173  .5   .071   .012   .043   .159   .007   .043   -.026
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Gayite
 
Kampf A R, Colombo F, Gonzalez del Tanago J
 
American Mineralogist 95 (2010) 386-391
Gayite, a new dufrenite-group mineral from the Gigante granitic pegmatite,
Cordoba province, Argentina
Locality: Gigante granitic pegmatite, Punilla department,
Cordoba province, Argentina
_database_code_amcsd 0005031
25.975 5.1766 13.929 90 111.293 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)
Na        0 -.1704   .25     .034   .028   .046   .024   .000   .007   .000
Fe1       0      0     0 .73 .029   .032   .030   .021  -.001   .008   .000
Al1       0      0     0 .27 .029   .032   .030   .021  -.001   .008   .000
Mn2     .25    .25     0 .93 .028   .028   .025   .022  -.002   .001  -.003
Fe2     .25    .25     0 .07 .028   .028   .025   .022  -.002   .001  -.003
Fe3   .1531 -.0199 .1095 .76 .026   .030   .027   .019   .001   .005  -.001
Al3   .1531 -.0199 .1095 .24 .026   .030   .027   .019   .001   .005  -.001
Fe4   .1397 -.2286 .3495 .87 .027   .033   .025   .020   .000   .006   .001
Al4   .1397 -.2286 .3495 .13 .027   .033   .025   .020   .000   .006   .001
P1    .2165  .2614 .3309     .030   .038   .023   .027   .002   .009   .000
P2    .0785  .2707 .3918     .034   .037   .034   .028   .002   .010   .002
O1    .0879  .0548 .3239     .038   .060   .025   .026   .010   .014  -.005
O2    .0775  .5317 .3391     .036   .050   .032   .022   .000   .009   .014
O3    .0227  .2278 .4024     .040   .036   .044   .033   .008   .003   .003
O4    .1241  .2720 .4986     .036   .025   .045   .030   .003   .001   .002
OH5   .1687  .2285 .0105     .036   .045   .034   .022   .008   .003   .000
O6    .2074  .0108 .3822     .036   .035   .040   .028  -.002   .006  -.005
O7    .1987 -.5111 .3821     .031   .043   .027   .021  -.004   .010  -.002
OH8   .1285 -.2671 .2010     .036   .043   .045   .018  -.002   .011   .007
O9    .1777  .2548 .2188     .036   .041   .037   .024   .005   .006  -.008
O10   .2241 -.2125 .1557     .034   .025   .040   .036   .006   .009   .003
OH11  .0753  .1330 .0676     .038   .033   .041   .036   .004   .007   .004
Wat12 .0232 -.2897 .1075     .036   .048   .037   .025  -.004   .014   .008
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Galliskiite
 
Kampf A R, Colombo F, Simmons W B, Falster A U, Nizamoff J W
 
American Mineralogist 95 (2010) 392-396
Galliskiite, Ca4Al2(PO4)2F8*5H2O, a new mineral from the
Gigante granitic pegmatite, Cordoba province, Argentina
Locality: Gigante granitic pegmatite, Punilla department,
Cordoba province, Argentina
_database_code_amcsd 0005032
6.1933 9.871 13.580 89.716 75.303 88.683 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)
Ca1  .8349  .3009 .1467 .012   .018   .008   .009   .000  -.005   .001
Ca2  .9077  .2197 .6326 .010   .012   .009   .009   .001  -.003  -.001
Ca3  .9295  .4020 .3952 .010   .013   .009   .008   .000  -.003   .000
Ca4  .0304 -.1146 .1019 .009   .011   .008   .008   .000  -.003   .000
Al1  .8197  .4466 .8777 .006   .006   .006   .006  -.001  -.002   .001
Al2  .8282  .0602 .3749 .007   .008   .007   .006   .001  -.002   .000
P1   .7073 -.1122 .5813 .009   .009   .008   .009   .000  -.002   .001
P2   .2979  .3809 .9217 .008   .008   .008   .008   .000  -.002  -.001
O1   .4662 -.0688 .6330 .012   .011   .014   .013   .001  -.003  -.002
O2   .8644 -.0280 .6279 .010   .011   .010   .011   .001  -.003  -.001
O3   .7449 -.2654 .5967 .012   .011   .011   .015  -.002  -.005   .002
O4   .7656 -.0880 .4650 .010   .010   .009   .009  -.002  -.002   .001
O5   .2966  .2314 .8929 .012   .013   .008   .015   .000  -.004  -.002
O6   .5240  .4441 .8746 .012   .011   .013   .013  -.001  -.003   .001
O7   .1273  .4618 .8777 .009   .013   .009   .010   .001  -.004   .000
O8   .2315  .3934 .0397 .010   .012   .008   .010   .003  -.005  -.002
F1   .9084  .1977 .2859 .013   .017   .012   .011  -.002  -.005   .004
F2   .7928  .1869 .4755 .012   .016   .009   .011  -.001  -.003  -.002
F3   .9303  .0990 .0714 .017   .032   .011   .010   .006  -.006  -.001
F4   .8895  .5611 .7708 .012   .014   .013   .008   .001   .000   .004
F5   .8421  .4283 .5697 .014   .016   .013   .013  -.003  -.005   .001
F6   .8873  .2998 .7936 .012   .018   .009   .010   .003  -.004  -.003
F7   .8888 -.0656 .2728 .011   .014   .011   .010   .000  -.001  -.003
F8   .7862  .3252 .9815 .011   .015   .010   .009  -.001  -.004   .003
OW1  .5149  .2123 .6906 .017   .015   .018   .016  -.003  -.002  -.003
OW2  .2562  .3703 .5910 .020   .025   .016   .021   .005  -.010  -.007
OW3  .4542  .2256 .1561 .021   .022   .021   .020   .002  -.005   .002
OW4  .6224  .0450 .8914 .033   .017   .020   .065   .000  -.019  -.001
OW5  .6076  .4038 .3090 .018   .016   .014   .022  -.001  -.003   .000
H1A   .460   .212  .759 .050
H1B   .479   .130  .672 .050
H2A   .343   .328  .626 .050
H2B   .308   .354  .526 .050
H3A   .389   .233  .218 .050
H3B   .404   .274  .113 .050
H4A   .581  -.038  .887 .050
H4B   .503   .100  .903 .050
H5A   .554   .476  .287 .050
H5B   .490   .352  .340 .050
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Kuksite
Download hom/kuksite.pdf
Mills S J, Kampf A R, Kolitsch U, Housley R M, Raudsepp M
 
American Mineralogist 95 (2010) 933-938
The crystal chemistry and crystal structure of kuksite, Pb3Zn3Te6+P2O14,
and a note on the crystal structure of yafsoanite, (Ca,Pb)3Zn(TeO6)2
Locality: Black Pine mine, NW of Philipsburg, Granite County, Montana, USA
_database_code_amcsd 0005047
8.392 8.392 5.204 90 90 120 P321
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   .40881      0     0      .0295  .0322  .0299  .0255 .01497 .00031  .0006
Te        0      0     0      .0224  .0254  .0254  .0164  .0127      0      0
Zn        0 -.2478    .5      .0260  .0232  .0314  .0208  .0116  .0023  .0012
P       1/3    2/3 .5314 .797 .0261  .0264  .0264   .026  .0132      0      0
As      1/3    2/3 .5314 .202 .0261  .0264  .0264   .026  .0132      0      0
O1   -.1224 -.2161 .7878       .036   .038   .040   .027   .017   .005  -.015
O2    .5251 -.1969 .6560       .056   .037   .067   .026  -.001   .009  -.009
O3      1/3    2/3  .238       .038   .035   .035   .042   .018      0      0
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Kuksite
Download hom/kuksite.pdf
Mills S J, Kampf A R, Kolitsch U, Housley R M, Raudsepp M
 
American Mineralogist 95 (2010) 933-938
The crystal chemistry and crystal structure of kuksite, Pb3Zn3Te6+P2O14,
and a note on the crystal structure of yafsoanite, (Ca,Pb)3Zn(TeO6)2
Locality: Blue Bell claims, Baker, San Bernardino County, California, USA
_database_code_amcsd 0005048
8.3942 8.3942 5.1847 90 90 120 P321
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    .4087      0     0     .0307  .0316  .0409  .0228  .0205  .0016  .0032
Te        0      0     0     .0194  .0248  .0248  .0086  .0124      0      0
Zn        0 -.2509    .5     .0214  .0229  .0249  .0156  .0114  .0011 -.0005
P       1/3    2/3 .5329 .67  .022   .020   .020   .024   .010      0      0
As      1/3    2/3 .5329 .33  .022   .020   .020   .024   .010      0      0
O1   -.1229 -.2174 .7884      .034   .032   .041   .030   .018  -.001  -.007
O2    .5224 -.2023 .6613      .064   .046   .060   .051   .001   .004  -.006
O3      1/3    2/3 .2456      .038   .039   .039   .035   .020      0      0
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Yafsoanite
Download hom/yafsoanite.pdf
Mills S J, Kampf A R, Kolitsch U, Housley R M, Raudsepp M
 
American Mineralogist 95 (2010) 933-938
The crystal chemistry and crystal structure of kuksite, Pb3Zn3Te6+P2O14,
and a note on the crystal structure of yafsoanite, (Ca,Pb)3Zn(TeO6)2
Locality: Delbe orebody, Aldan Shield, Saha Republic, Russia
_database_code_amcsd 0005049
12.6350 12.6350 12.6350 90 90 90 Ia3d
atom      x     y     z  occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ca        0   .25  .125 .912 .0179  .0160  .0160  .0217  .0034      0      0
Pb        0   .25  .125 .088 .0179  .0160  .0160  .0217  .0034      0      0
Te        0     0     0      .0097  .0097  .0097  .0097  .0007  .0007  .0007
Zn        0   .25  .375 .957 .0131  .0141  .0141  .0111      0      0      0
O    -.0273 .0489 .1419      .0149   .012   .017   .016   .000   .003  -.001
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Cobaltarthurite
 
Kampf A R
Download cm/vol43/CM43_1387.pdf
The Canadian Mineralogist 43 (2005) 1387-1391
The crystal structure of cobaltarthurite from the Bou Azzer district, Morocco:
The location of hydrogen atoms in the arthurite structure-type
Locality: Bou Azzer district, Morocco
_database_code_amcsd 0006049
10.2635 9.7028 5.5711 90 94.2070 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)
Co2+     0     0     0 .0107  .0100  .0118  .0106 -.0023  .0020 -.0017
Fe3+ .4561 .1363 .3397 .0075  .0091  .0075  .0059  .0000  .0008  .0003
As   .2973 .4277 .3278 .0074  .0074  .0087  .0062  .0001  .0011 -.0001
O1   .3989 .4848 .1178 .0097  .0116  .0113  .0067 -.0032  .0038 -.0004
O2   .3558 .4897 .5995 .0095  .0117  .0088  .0077  .0002 -.0009 -.0013
O3   .1483 .4904 .2594 .0136  .0086  .0187  .0136  .0034  .0016  .0030
O4   .2970 .2542 .3204 .0109  .0119  .0091  .0117 -.0006  .0010 -.0013
OH   .5417 .2328 .0783 .0110  .0120  .0116  .0099  .0030  .0040  .0021
OW1  .1289 .9062 .2936 .0203  .0190  .0258  .0164 -.0021  .0029 -.0013
OW2  .0460 .1903 .1361 .0243  .0206  .0189  .0334 -.0028  .0021 -.0142
H    .5816 .1789 .9815   .05
H11  .1991 .9085 .2478   .05
H12  .1252 .9326 .4318   .05
H21  .1096 .2173 .2328   .05
H22  .9839 .2383 .1819   .05
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Magnesiopascoite
 
Kampf A R, Steele I M
 
The Canadian Mineralogist 46 (2008) 679-686
Magnesiopascoite, a new member of the pascoite group: description and crystal structure
Locality: Blue Cap mine, San Juan County, Utah, USA
_database_code_amcsd 0006192
19.8442 9.9353 10.7149 90 120.305 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   .76667     .5 .91341 .0214  .0218  .0209  .0262      0  .0157      0
Mg        0     .5     .5 .0198  .0304  .0135  .0182      0  .0142      0
V1       .5 .33296      0 .0154  .0169  .0131  .0195      0  .0116      0
V2   .54298     .5 .79713 .0164  .0159  .0200  .0165      0  .0106      0
V3   .65679     .5 .12750 .0166  .0142  .0210  .0168      0  .0095      0
V4   .38560 .34654 .67065 .0220  .0208  .0277  .0193 -.0049  .0114 -.0077
O1    .7265     .5  .0902 .0233  .0189  .0305  .0248      0  .0142      0
O2    .5499     .5  .1432 .0159  .0159  .0169  .0164      0  .0094      0
O3    .4160  .3755  .0321 .0159  .0171  .0156  .0187 -.0006  .0117  .0004
O4    .4498  .2316  .8553 .0214  .0249  .0177  .0254 -.0029  .0155 -.0033
O5    .6195     .5  .7799 .0236  .0216  .0293  .0260      0  .0166      0
O6    .4828  .3650  .6821 .0209  .0218  .0245  .0205 -.0026  .0138 -.0052
O7    .6821  .6352  .2560 .0210  .0181  .0254  .0215 -.0046  .0115 -.0045
O8    .3495     .5  .5634 .0242  .0200  .0353  .0181      0  .0101      0
O9    .3470  .2276  .5550 .0327  .0299  .0385  .0299 -.0089  .0152 -.0162
O10   .8799     .5  .4285 .0415  .0388  .0368  .0476      0  .0209      0
O11   .9785     .5  .2880 .0423  .0569  .0444  .0251      0  .0202      0
O12   .7190  .6838  .7473 .0433  .0371  .0465  .0366 -.0133  .0115  .0135
O13       0  .7037     .5 .0462  .0978  .0178  .0595      0  .0667      0
O14   .8423  .6719  .0825 .0361  .0496  .0300  .0425 -.0164  .0331 -.0090
O15   .8765     .5  .8831 .0570  .0666  .0248  .1224      0  .0795      0
H10    .870   .566   .468 .1173
H11    .966   .568   .239 .1169
H12a   .748   .746   .739 .0995
H12b   .713   .627   .683 .0659
H13    .001   .751   .441 .0660
H14a   .826   .700   .134 .0463
H14b   .866   .729   .063 .0542
H15    .896   .564   .868 .0637
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Martyite
 
Kampf A R, Steele I M
 
The Canadian Mineralogist 46 (2008) 687-692
Martyite, a new mineral species related to volborthite: Description and crystal structure
Locality: Blue Cap mine, San Juan County, Utah
_database_code_amcsd 0006193
6.0818 6.0818 7.1793 90 90 120 P-3m1
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      .5      0     .5 .88 .0185  .0157 -.0113  .0270  .0056  .0025  .0050
Co      .5      0     .5 .05 .0185  .0157  .0113  .0270  .0056  .0025  .0050
V        0      0 .24954     .0101  .0102  .0102  .0100  .0051      0      0
O1   .1568 -.1568  .3267     .0225  .0205  .0205  .0225  .0072 -.0016  .0016
O2       0      0      0     .0306  .0348  .0348  .0223  .0174      0      0
Oh     2/3    1/3  .3753     .0152  .0137  .0137  .0182  .0068      0      0
Ow     2/3    1/3  .0013     .0789  .1011  .1011  .0346  .0506      0      0
Hw    .830   .415 -0.029 2/3 .0500
H-OH   2/3    1/3   .247     .0500
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Bariopharmacosiderite
 
Hager S L, Leverett P, Williams P A, Mills S J,
Hibbs D E, Raudsepp M, Kampf A R, Birch W D
 
The Canadian Mineralogist 48 (2010) 1477-1485
The single-crystal X-ray structures of bariopharmacosiderite-C,
bariopharmacosiderite-Q and natropharmacosiderite
Note: sample Bariopharmacosiderite-Q
Locality: Sunny Corner mine, Sunny Corner, New South Wales, Australia
7.947 7.947 8.049 90 90 90 P-42m
atom      x     y     z  occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ba       .5    .5     0  .50 .0330   .033   .033   .033      0      0      0
Fe    .1422 .1422 .1437      .0078  .0064  .0064  .0110 -.0004 -.0004 -.0004
Oh2   .8858 .8858 .8868       .011   .014   .014   .007  -.001  -.001  -.001
As1       0     0    .5      .0112  .0110  .0110   .012      0      0      0
As2      .5     0     0      .0148  .0077   .019  .0175      0      0      0
O1A   .1248 .1248 .3830       .016   .016   .016   .015  -.002   .000   .000
O1B   .1252 .3855 .1214       .012   .014   .004   .016  -.002  -.004   .002
H      .828  .828  .821       .020
Wat1A  .333  .333  .740  .50  .017
Wat1B  .326  .255  .673 .145  .015
Wat2A    .5     0    .5  .70  .020
Wat2B  .160    .5    .5  .30  .022
Wat2C    .5    .5  .129  .20  .016
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Bariopharmacosiderite
 
Hager S L, Leverett P, Williams P A, Mills S J,
Hibbs D E, Raudsepp M, Kampf A R, Birch W D
 
The Canadian Mineralogist 48 (2010) 1477-1485
The single-crystal X-ray structures of bariopharmacosiderite-C,
bariopharmacosiderite-Q and natropharmacosiderite
Note: sample Bariopharmacosiderite-C
Locality: Robinson's Reef, Clunes, Victoria, Australia
7.942 7.942 7.942 90 90 90 P-43m
atom      x     y     z  occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
BaBa      0    .5    .5 .156  .016
KBa       0    .5    .5 .013  .016
NaBa      0    .5    .5 .007  .016
FeFe  .1431 .1431 .1431  .99  .016   .016   .016   .016 -.0018 -.0018 -.0018
AlFe  .1431 .1431 .1431  .01  .016   .016   .016   .016 -.0018 -.0018 -.0018
Oh2    .888  .888  .888       .010   .010   .010   .010   .000   .000   .000
AsAs     .5     0     0  .72  .019   .008   .025   .025      0      0      0
PAs      .5     0     0  .28  .019   .008   .025   .025      0      0      0
O1     .124  .387  .124       .031   .029   .036   .036   .003   .003   .005
H      .831  .831  .831       .014
Wat1   .688  .688  .688  .18   .03
Wat2   .198    .5    .5   .3   .03
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Natropharmacosiderite
Download hom/natropharmacosiderite.pdf
Hager S L, Leverett P, Williams P A, Mills S J,
Hibbs D E, Raudsepp M, Kampf A R, Birch W D
 
The Canadian Mineralogist 48 (2010) 1477-1485
The single-crystal X-ray structures of bariopharmacosiderite-C,
bariopharmacosiderite-Q and natropharmacosiderite
Locality: Gold Hill mine, Utah, USA
7.928 7.928 7.928 90 90 90 P-43m
atom      x     y     z  occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
NaNa   .050    .5    .5 .125  .023
KNa    .050    .5    .5 .023  .023
BaNa   .050    .5    .5 .018  .023
Fe    .1429 .1429 .1429      .0229  .0229  .0229  .0229 -.0001 -.0001 -.0001
As       .5     0     0      .0201  .0163  .0220  .0220      0      0      0
O1    .1261 .1261 .3826       .026   .029   .029   .019  -.010   .002   .002
Oh2   .8861 .8861 .8861       .018   .018   .018   .018   .001   .001   .001
H     .8283 .8283 .8283       .021
Wat3   .692  .692  .692   .5  .041
Wat4   .130    .5    .5  .33  .037
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Ferroericssonite
 
Kampf A R, Roberts A C, Venance K E, Dunning G E, Walstrom R E
 
The Canadian Mineralogist 49 (2011) 587-594
Ferroericssonite, the Fe2+ analogue of ericssonite, from eastern Fresno County, California, U.S.A.
Locality: Esquire #8 claim, Big Creek, eastern Fresno County, California, USA
_database_code_amcsd 0018382
20.3459 7.0119 5.3879 90 94.874 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)
Ba   .225048      0 .24144     .00956  .0113  .0081  .0093      0 .00105      0
Fe1        0 .26153      0      .0121  .0150  .0126  .0091      0  .0033      0
Fe2        0      0     .5      .0124  .0147  .0118  .0106      0  .0004      0
Fe3        0     .5     .5      .0107  .0139  .0106  .0082      0  .0038      0
Fe4   .14026     .5 .21580      .0068  .0088  .0060  .0057      0  .0007      0
Si    .13431 .22566  .7125      .0062  .0086  .0052  .0047  .0005  .0002  .0002
OH1    .0555      0  .1802 .77   .038   .073   .025   .017      0   .006      0
Cl1    .0555      0  .1802 .23   .038   .073   .025   .017      0   .006      0
O2     .1574      0  .7195      .0126   .012   .006   .019      0  .0021      0
O3    .05466  .2455  .6846      .0099  .0085  .0111  .0101  .0015  .0015 -.0008
O4    .16858  .3090  .9732      .0105  .0135  .0103  .0076 -.0005  .0008 -.0007
O5    .16897  .3092  .4761      .0105  .0125  .0105  .0086  .0007  .0013  .0028
O6     .0497     .5  .1922      .0101   .009   .011   .010      0  .0030      0
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Rakovanite
 
Kampf A R, Hughes J M, Marty J, Gunter M E, Nash B
 
The Canadian Mineralogist 49 (2011) 595-604
Rakovanite, Na3{H3[V10O28]}*15H2O, a new member of the
pascoite family with a protonated decavanadate polyanion
Locality: Synthetic
_database_code_amcsd 0018383
12.0248 17.121 18.140 90 106.242 90 P2_1/n
atom       x       y       z  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
V1    .06629 -.12903  .10294 .0195  .0198  .0252  .0118 -.0010  .0014 -.0001
V2   -.01357 -.12711  .24943 .0194  .0165  .0234  .0175 -.0011  .0035  .0005
V3    .13092 -.21570  .39482 .0212  .0249  .0206  .0184 -.0028  .0065  .0031
V4    .12453 -.03548  .39361 .0206  .0236  .0211  .0175  .0011  .0063 -.0009
V5    .28535 -.03402  .10014 .0222  .0263  .0237  .0169 -.0002  .0065  .0047
V6    .29434 -.21384  .10274 .0226  .0282  .0214  .0189  .0011  .0079 -.0026
V7    .43406 -.12108  .24686 .0182  .0187  .0206  .0151  .0005  .0047  .0001
V8    .35254 -.12222  .39303 .0181  .0187  .0199  .0144 -.0001  .0029  .0004
V9    .21232 -.22040  .24850 .0175  .0205  .0154  .0154 -.0004  .0029 -.0010
V10   .20634 -.02923  .24729 .0170  .0196  .0133  .0176  .0001  .0043  .0001
Na1   .28198  .12442 -.06503 .0394  .0355  .0560  .0272  .0021  .0095  .0038
Na2  -.19310  .13984  .16880 .0316  .0322  .0291  .0343  .0057  .0107 -.0028
Na3  -.30959  .10623  .32547 .0325  .0325  .0328  .0318  .0038  .0083 -.0036
O1    -.0685  -.1316  .05411 .0246   .020   .033   .018  -.001 -.0005   .001
O2    -.1445  -.1279  .19691 .0238  .0161   .027   .024  .0005 -.0009  -.001
O3     .1063  -.2848   .4479 .0295   .034   .026   .027  -.003   .007   .006
O4     .0949   .0321   .4462 .0271   .028   .027   .028  .0034   .011  -.012
O5     .3102   .0344   .0477 .0315   .038   .034   .024  -.003   .012   .009
O6     .3261  -.2819   .0520 .0341   .042   .034   .029   .007   .015  -.007
O7     .5663  -.1197  .29885 .0238   .016   .031   .023  -.001  .0021  -.000
O8     .4860  -.1193  .44337 .0236  .0201  .0293  .0182 -.0022  .0004 -.0033
O9     .2438  -.1249  .18500 .0160  .0197  .0160  .0110  .0027  .0023   .003
O10    .1733  -.1244  .31152 .0166   .017   .017   .016  .0034  .0039 -.0017
O11    .0566  -.1995   .1887 .0183   .020   .018   .017 -.0040  .0039 -.0011
O12    .0531  -.0549   .1874 .0174   .015   .025   .011 -.0018  .0007  .0029
O13   -.0107  -.2059   .3193  .022   .027   .021   .017   .004   .004   .001
O14   -.0162  -.0489   .3178 .0213   .017   .023   .024   .001  .0063  -.005
O15    .1005  -.1256  .44121 .0215   .023   .025   .017  -.001   .006  -.003
O16    .2911  -.2009   .4359 .0192   .025   .018   .013 -.0005  .0022  .0035
O17    .1775  -.2786   .3143 .0209   .020   .020   .021  -.003   .004   .000
O18    .2864  -.0440   .4350  .020   .018   .025   .019  -.003   .007   .000
O19    .1678   .0296   .3111 .0199   .022   .014   .023 -.0008   .004  -.001
O20    .3662  -.1947   .3095 .0177   .021   .015   .015  .0005  .0027 -.0042
O21    .3611  -.0505   .3077 .0160   .019   .015   .014 -.0013  .0031 -.0044
O22    .4274  -.0438   .1780 .0199   .017   .025   .018  .0013  .0052  .0008
O23    .4333  -.2005   .1802 .0217   .024   .019   .023   .003  .0076  -.000
O24    .3174  -.1239  .05489 .0238   .027   .029   .017   .001   .008  -.001
O25    .2403   .0302   .1819 .0178   .018   .018   .018 -.0018  .0055   .001
O26    .1321  -.2054   .0609 .0238   .027   .028   .014 -.0022  .0039 -.0042
O27    .1274  -.0487   .0606 .0212   .024   .024   .015 -.0029  .0028  .0020
O28    .2501  -.2792   .1851 .0216   .026   .018   .019  -.000  .0027  -.003
O29    .3867   .0315  -.1112  .044   .040   .042   .058   .002   .026   .012
O30    .3741   .2151  -.1225  .038   .036   .043   .039   .002   .016  -.004
O31   -.1394   .2460   .0980  .040   .046   .039   .031  -.014   .004  -.003
O32   -.1075   .0522   .1008 .0414   .058   .042   .022   .026   .008   .004
O33   -.3840   .1286   .0765 .0434   .041   .062   .030   .005   .014   .001
O34   -.0071   .1488   .2551 .0491   .037   .028   .065   .002  -.014  -.008
O35   -.2763   .2187   .2423  .044   .031   .049   .044   .018  -.003  -.018
O36   -.2299   .0291   .2481  .038   .037   .042   .031   .007   .003  -.006
O37   -.1203   .1231   .4046  .039   .033   .054   .029   .011   .007  -.003
O38   -.5030   .1020   .2521  .047   .049   .026   .054   .010  -.005  -.012
O39   -.3414   .0025   .4106 .0476   .063   .046   .031  -.027   .009  -.002
O40   -.3779   .1955   .4015  .043   .059   .043   .021   .024   .002  -.002
O41    .1760   .1302   .5923  .071   .061   .084   .079   .006   .035   .002
O42    .0907   .1558   .1100 .0471   .053   .040   .043   .012   .006   .017
O43    .0942  -.3993   .1080 .0518   .055   .040   .055   .000   .007  -.002
H29A    .382  -.0128   -.097   .03
H29B    .445    .046   -.123   .08
H30A    .427    .203   -.140   .06
H30B    .393   .2615   -.118   .04
H31A   -.078    .266    .118   .04
H31B   -.128    .253    .057   .03
H32A   -.115    .040   .0563  .008
H32B   -.075    .025    .121   .02
H33A   -.358    .141    .041   .08
H33B   -.433    .163    .066   .17
H34A    .047    .120    .273   .03
H34B    .020    .191    .265   .05
H35A   -.337    .242    .224   .02
H35B   -.243    .244    .280  .018
H36A   -.278    .002    .218   .06
H36B   -.168    .009    .270   .11
H37A   -.062    .105    .396   .04
H37B   -.101    .123    .452   .08
H38A   -.510    .065    .226 -.009
H38B   -.560    .129    .236   .07
H39A   -.387   -.033    .409  .024
H39B   -.327    .019    .454   .10
H40A   -.355    .186    .447   .08
H40B   -.413    .235    .382   .09
H41A    .213    .088    .596   .12
H41B    .118    .126    .608   .12
H42A    .136    .120    .131  .008
H42B    .088    .167   .0647   .11
H43A    .064   -.440    .087   .33
H43B    .149   -.371    .129   .19
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
 
Huemulite
Download hom/huemulite.pdf
Colombo F, Baggio R, Kampf A R
 
The Canadian Mineralogist 49 (2011) 849-864
The crystal structure of the elusive huemulite
Locality: synthetic
_database_code_amcsd 0018460
9.0425 11.3303 11.7353 105.222 97.377 100.791 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)
Na1         .5      .5      .5      .0408  .0358  .0473  .0275  .0037  .0042 -.0074
Na2     .28638  .40537  .70452      .0428  .0494  .0471  .0401  .0187  .0180  .0157
Na3         .5      .5       0      .0335  .0322  .0330  .0358  .0129  .0061  .0052
Mg1         .5       0      .5      .0263  .0246  .0293  .0312  .0145  .0109  .0093
V1      .83596  .74497  .75465     .02424  .0280 .01904  .0197 .00230 .00178 -.0024
V2      .18295  .84113  .79384     .02460  .0282  .0215  .0283 .00740 .01661 .00811
V3      .03857  .76811  .99849     .01924  .0222 .01564  .0230 .00847 .00724 .00569
V4      .81256  .94733  .97807     .01611 .01277 .01633 .02017 .00745 .00407 .00198
V5      .97200  .02589  .77571     .01931  .0228 .01971 .01627 .00785 .00428 .00284
O1       .7036  .63652  .66035      .0397  .0448  .0289  .0304  .0002 -.0027 -.0090
O2      .70196  .82217  .86861      .0236  .0183  .0224  .0274  .0086  .0015 -.0016
O3      .82631  .88103  .69383      .0252  .0278  .0248  .0182  .0061 -.0009 -.0018
O4       .0129  .72617  .69917      .0297  .0399  .0220  .0245  .0014  .0137  .0034
O5      .88645  .67025  .87581      .0239  .0284  .0159  .0264  .0059  .0075  .0016
O6      .83030  .06848  .89225      .0187  .0149  .0203  .0228  .0108  .0029  .0031
O7      .13044  .96593  .72610      .0248  .0305  .0244  .0230  .0095  .0130  .0060
O8      .18995  .75544  .90835      .0257  .0264  .0220  .0361  .0121  .0161  .0114
O9      .89011  .85207  .07876      .0169  .0162  .0159  .0199  .0074  .0052  .0024
O10     .94441  .11931  .69616      .0291  .0320  .0313  .0279  .0170  .0054  .0049
O11      .3220  .80842  .72721      .0374  .0408  .0341  .0466  .0135  .0297  .0143
O12     .06696  .67647  .07938      .0304  .0349  .0267  .0395  .0196  .0121  .0130
O13     .00329  .90959  .90089      .0170  .0165  .0162  .0190  .0064  .0052  .0029
O14     .30389  .99325  .93135      .0235  .0185  .0241  .0314  .0108  .0104  .0056
OW1      .5134  .37056   .6329      .0448  .0476  .0316  .0555  .0104  .0156  .0091
H1A       .521   .2968    .603       .054
H1B       .578    .397   .6976       .054
OW2      .3009   .5503   .5917      .0553  .0779  .0447  .0498  .0117  .0269  .0226
H2A       .219    .535    .539       .066
H2B       .306   .6200    .643       .066
OW3      .1431   .2115  .55469      .0437  .0503  .0529  .0312  .0153  .0161  .0096
H3A       .120    .193   .4791       .052
H3B       .064    .182    .579       .052
OW4      .0645   .4593   .7686      .0577  .0755  .0465  .0735  .0291  .0491  .0283
H4A       .023    .419    .812       .069
H4B       .052   .5324    .797       .069
OW5      .4297  .61851  .86666      .0368  .0343  .0350  .0459  .0164  .0109  .0111
H5A       .365    .661    .884       .044
H5B       .505    .674    .866       .044
OW6      .3393  .30988  .85774      .0349  .0308  .0312  .0464  .0184  .0130  .0026
H6A       .267    .264    .875       .042
H6B       .399    .262    .848       .042
OW7      .6897  .45484   .8785      .0415  .0301  .0318  .0704  .0255  .0144  .0074
H7A       .748   .5233    .883       .050
H7B       .747    .415    .907       .050
OW8      .6347  .14362  .64575      .0404  .0336  .0431  .0443  .0107  .0076  .0115
H8A       .605    .144   .7117       .048
H8B      .7297    .155    .645       .048
OW9      .3120   .0307  .57329      .0428  .0432  .0565  .0527  .0361  .0313  .0259
H9A       .267    .003    .623       .051
H9B       .274    .093    .576       .051
OW10     .4647  .13222  .41227      .0339  .0276  .0468  .0400  .0275  .0132  .0135
H10A      .523    .142    .364       .041
H10B     .3753    .123    .376       .041
OW11     .5428   .1401  .86016      .0401  .0244  .0518  .0507  .0294  .0047  .0060
H11A      .473    .090    .877       .048
H11B      .623    .132    .898       .048
Wat12A   .8775   .3473   .5385 .26   .102   .082   .146   .087   .031   .009   .059
Wat12B   .9643   .4380   .5229 .65   .090   .073   .087   .093  -.001  -.009   .031
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
 
Huemulite
Download hom/huemulite.pdf
Colombo F, Baggio R, Kampf A R
 
The Canadian Mineralogist 49 (2011) 849-864
The crystal structure of the elusive huemulite
Locality: West Sunday mine, Utah, USA
_database_code_amcsd 0018461
9.0453 11.3337 11.7372 105.223 97.383 100.790 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)
Na1         .5      .5      .5      .0443  .0406  .0500  .0306  .0051  .0053 -.0071
Na2     .28622  .40535  .70437      .0469  .0549  .0493  .0452  .0209  .0194  .0167
Na3         .5      .5   .0000      .0372  .0374  .0357  .0397  .0152  .0068  .0059
Mg1         .5       0      .5      .0295  .0278  .0317  .0361  .0173  .0112  .0099
V1      .83583  .74493  .75461     .02819  .0332  .0215  .0246  .0044  .0030 -.0016
V2      .18297  .84107  .79391     .02845  .0334  .0245  .0327  .0099  .0179  .0091
V3      .03858  .76814  .99854     .02289  .0266  .0183  .0275  .0106  .0087 .00639
V4      .81258  .94732  .97815     .01973  .0175  .0188  .0244 .00930 .00524 .00257
V5      .97184  .02587  .77563     .02316  .0274  .0226  .0210  .0100  .0059 .00336
O1       .7034   .6365   .6604      .0437  .0480  .0323  .0350  .0018 -.0028 -.0100
O2       .7021  .82217  .86874      .0266  .0211  .0261  .0294  .0095  .0011 -.0017
O3       .8264  .88089  .69397      .0282  .0315  .0282  .0200  .0077 -.0013 -.0014
O4       .0134  .72612  .69966      .0329  .0441  .0245  .0288  .0038  .0146  .0054
O5       .8866  .67004  .87591      .0294  .0338  .0192  .0356  .0096  .0111  .0018
O6      .83062  .06803  .89220      .0220  .0185  .0229  .0270  .0121  .0039  .0035
O7       .1305  .96598  .72635      .0282  .0354  .0267  .0266  .0114  .0151  .0060
O8       .1896  .75564  .90795      .0296  .0306  .0230  .0418  .0135  .0161  .0103
O9      .89051  .85238  .07903      .0212  .0216  .0177  .0266  .0098  .0083  .0025
O10      .9448  .11888  .69620      .0327  .0358  .0352  .0311  .0187  .0059  .0050
O11      .3218   .8082   .7272      .0404  .0451  .0369  .0504  .0163  .0308  .0166
O12      .0670  .67687  .07928      .0332  .0390  .0285  .0411  .0208  .0113  .0121
O13     .00340  .90933  .90088      .0220  .0253  .0184  .0249  .0088  .0090  .0047
O14      .3036  .99306  .93123      .0261  .0229  .0268  .0337  .0134  .0120  .0068
OW1      .5128   .3704   .6328      .0488  .0563  .0342  .0595  .0143  .0189  .0127
H1A       .522   .2976    .600       .059
H1B       .573    .388    .699       .059
OW2      .3005   .5502   .5913      .0601   .087  .0466  .0550  .0138  .0302  .0260
H2A       .220    .537    .538       .072
H2B       .296    .619    .640       .072
OW3      .1424   .2114   .5546      .0483  .0559  .0532  .0393  .0167  .0189  .0097
H3A       .126    .189   .4786       .058
H3B       .065    .178    .577       .058
OW4      .0641   .4596   .7690      .0609  .0793  .0494   .078  .0321  .0518  .0301
H4A       .030    .420    .815       .073
H4B       .038    .528    .793       .073
OW5      .4289   .6185   .8664      .0406  .0381  .0381  .0505  .0179  .0128  .0111
H5A       .362    .659    .885       .049
H5B       .508    .674    .875       .049
OW6      .3394   .3095   .8575      .0382  .0361  .0321  .0508  .0194  .0144  .0041
H6A       .266    .264    .875       .046
H6B       .402    .263    .855       .046
OW7      .6896   .4551   .8786      .0459  .0347  .0350  .0758  .0270  .0149  .0085
H7A       .748   .5255    .889       .055
H7B       .748    .413    .903       .055
OW8      .6348   .1433   .6461      .0447  .0453  .0444  .0453  .0108  .0126  .0132
H8A       .626    .165   .7189       .054
H8B       .700    .154    .601       .054
OW9      .3124   .0304   .5729      .0468  .0465  .0582  .0595  .0377  .0315  .0263
H9A       .270    .005    .625       .056
H9B       .271    .091    .581       .056
OW10     .4644   .1323   .4127      .0373  .0302  .0500  .0437  .0278  .0136  .0135
H10A      .514    .135    .357       .045
H10B     .3733    .123    .378       .045
OW11     .5427   .1398   .8601      .0437  .0305  .0547  .0540  .0313  .0065  .0086
H11A      .481    .096    .890       .052
H11B      .625    .133    .898       .052
Wat12A   .8766   .3447   .5397 .29   .111   .090   .156   .100   .042   .015   .058
Wat12B    .965    .437   .5225 .57   .100   .085   .105   .115   .020   .011   .057
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
 
Gunterite
 
Kampf A R, Hughes J M, Marty J, Nash B
 
The Canadian Mineralogist 49 (2011) 1243-1251
Gunterite, Na4(H2O)16(H2V10O28)*6H2O, a new mineral species
with a doubly-protonated decavanadate polyanion:
crystal structure and descriptive mineralogy
Locality: West Sunday mine, San Miguel County, Colorado, USA
_database_code_amcsd 0018627
19.848 10.1889 13.1184 90 130.187 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)
Na1   .3134     .5  .0401      .066   .059   .047   .098      0   .053      0
Na2    .623     .5   .344 .56  .056   .045   .044    .09      0   .046      0
Ca2   .6693     .5   .413 .44  .052   .045   .044   .083      0   .048      0
V1        0  .3386     .5     .0337  .0303  .0280   .049      0  .0284      0
V2   .93435     .5  .6285     .0368  .0310  .0355   .051      0  .0297      0
V3   .82092     .5  .3223     .0367  .0289  .0355   .051      0  .0280      0
V4   .88655 .34890  .1951     .0392  .0361  .0339  .0504 -.0010  .0291 -.0023
O1    .7338     .5  .3092      .045   .033   .047   .055      0   .029      0
O2    .8454     .5  .6088      .046   .042   .049   .061      0   .040      0
O3    .9494  .2369  .3644      .037   .035   .033   .050  -.003   .030  -.003
O4    .8477     .5  .0940      .039   .041   .027   .049      0   .029      0
O5    .0504     .5  .6337      .033   .031   .029   .049      0   .030      0
O6    .8977  .6222  .4811      .033   .029   .027   .050   .001   .028  -.001
O7    .9995  .6317  .7489      .041   .038   .033   .057  -.001   .033  -.004
O8    .8491  .2304  .0891      .048   .048   .036   .061  -.004   .035  -.009
O9    .7991  .3685  .2102      .037   .033   .036   .049  -.002   .029  -.004
OW1   .4161     .5  .0050      .073   .062   .065   .092      0   .050      0
OW2   .3211     .5  .2369      .099   .107   .102   .100      0   .072      0
OW3   .5651  .6650  .2031      .108   .133   .049   .215  -.006   .146  -.025
OW4   .7011  .6773  .5326      .084   .082   .070   .126   .025   .079   .014
OW5   .5270     .5   .376      .223    .32   .056    .56      0    .41      0
OW6   .6693  .1947  .1683      .089   .091   .085   .109   .009   .074   .015
OW7    .583      0   .026      .183    .37   .093   .140      0    .19      0
OW8   .7600     .5   .684      .134   .166   .104    .19      0   .140      0
H1A   .3985  .4392  .0275         2
H2A   .3833     .5  .2530      .119
H2B   .3724     .5  .3286      .119
H3A   .6107  .6836  .2763      .129
H3B   .5409  .7302  .2024      .129
H4A   .7065  .6472  .6003       .04
H4B   .6634  .7269  .5318       .13
H5    .5069  .4289  .3773        .4
H6A   .6433  .2706  .1287       .13
H6B   .7230  .2130  .1952       .27
H7A   .5582      0 -.0597       .01
H7B   .5259      0 -.0078       .07
H8A     .80     .5    .67         2
H8B     .71     .5    .60         2
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
 
Devitoite
Download hom/devitoite.pdf
Kampf A R, Rossman G R, Steele I M, Pluth J J, Dunning G E, Walstrom R E
 
The Canadian Mineralogist 48 (2010) 29-40
Devitoite, a new heterophyllosilicate mineral with
astrophyllite-like layers from eastern Fresno County, California
Locality: Big Creek, eastern Fresno County, California
_database_code_amcsd 0006313
5.3437 11.6726 14.680 91.337 96.757 103.233 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)
Ba1  .5189 .9434 .6446     .044   .054   .033   .042   .006   .005   .003
Ba2  .1665 .2687 .5972     .035   .027   .040   .040   .008   .005   .003
Ba3  .8216 .5529 .6413     .046   .055   .025   .057   .003   .007   .009
P     .342  .661  .532     .029    .04    .01    .04   -.00    .01   -.00
O16   .171  .732  .569     .044    .04    .05    .05    .01    .01    .01
O17   .680  .331  .572     .058    .06    .07    .04    .02    .00    .02
O18   .606  .733  .569     .041    .02    .06    .04   -.01    .00    .00
O19   .286  .534  .558     .072    .02    .10    .10    .02    .01   -.04
C        0     0    .5      .06    .03    .09    .05    .02   -.01    .04
O20   .232  .043  .541  .5 .034    .03    .03    .04    .04   -.05   -.05
O21   .040  .034  .586  .5 .005    .00    .02    .00    .03   -.01   -.02
O22   .829  .037  .535  .5  .07    .05    .11    .09    .09    .05    .02
Fe1  .1312 .2840 .9829     .029   .025   .021   .040   .005   .006   .007
Fe2  .7104 .4271 .9921     .029   .019   .025   .045   .007   .010   .006
Fe3  .5655 .1425 .9868     .031   .025   .027   .039   .003   .006   .003
Fe4      0     0     0     .033   .031   .025   .043   .008   .003   .002
Fe5  .7271 .2704 .7875     .030   .026   .021   .040   .000   .005  -.003
Si1   .148 .1049 .7981     .022   .027   .005   .033   .003   .001   .005
Si2   .031 .8378 .8225     .028   .023   .013   .046   .000   .007  -.004
Si3   .469 .7085 .8264     .022   .019   .013   .033   .001   .006   .004
Si4   .319 .4395 .8060     .024   .015   .023   .034   .002   .008   .009
O1    .200  .132  .910     .034    .04    .01    .06    .01    .00    .02
O2    .775  .278  .913     .027    .00    .01    .06   -.01    .00    .00
O3    .068  .850  .932     .016    .01    .01    .02   -.01    .00   -.01
OH4   .363  .015  .072     .040    .02    .04    .06    .01    .01   -.00
OH5   .074  .426  .070     .030    .03    .02    .04   -.01    .02   -.01
O6    .492  .288  .062     .026    .02    .01    .05   -.00    .01    .01
O7    .349  .432  .917     .036    .00    .06    .05    .00    .01   -.01
O8    .738  .766  .785     .061    .02    .11    .03   -.03    .01   -.02
O9    .025  .387  .755     .057    .00    .12    .03   -.01   -.00    .02
O10   .238  .774  .786     .058    .08    .10    .02    .08    .01    .01
O11   .911  .148  .751     .070    .05    .14    .03    .06   -.01   -.01
O12   .515  .385  .760     .047    .05    .06    .05    .05    .02   -.01
O13   .067  .959  .775     .061    .10    .00    .08    .00    .02    .00
O14   .381  .576  .783     .084    .08    .12    .04   -.01    .01   -.02
O15   .401  .148  .753     .057    .05    .06    .05   -.03    .03   -.04
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Jacquesdietrichite
 
Kampf A R, Favreau G
 
European Journal of Mineralogy 16 (2004) 361-366
Jacquesdietrichite, Cu2[BO(OH)2](OH)3, a new mineral from the
Tachgagalt mine, Morocco: Description and crystal structure
Locality: Tachgagalt mine, Morocco
_database_code_amcsd 0007064
9.455 5.866 8.668 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)
Cu   .2489 .0019 .9249 .0113  .0122  .0039  .0178  .0002 -.0053  .0004
B     .015   .25  .172  .004
O1   .0897 .0534 .1781  .009
O2   .3629   .25 .0044  .009
O3   .3464   .75 .0221  .007
O4   .3707   .25 .3501  .011
O5   .3656   .75 .3304  .005
H1    .018  .966  .188   .05
H2    .428   .25  .072   .05
H3    .435   .75  .004   .05
H5    .384   .75  .235   .05
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Guanacoite
 
Witzke T, Kolitsch U, Krause W, Wiechowski A, Medenbach O, Kampf A R,
Steele I M, Favreau G
 
European Journal of Mineralogy 18 (2006) 813-821
Guanacoite, Cu2Mg2(Mg0.5Cu0.5)(OH)4(H2O)4(AsO4)2, a new arsenate mineral
species from the El Guanaco Mine, near Taltal, Chile: Description and crystal structure
Locality: El Guanaco Mine, Taltal, Chile
_database_code_amcsd 0007188
5.475 16.865 6.915 90 99.80 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         0       0      0 .504 .00995  .0083  .0107  .0109  .00063 .00163  .00220
MgCu1       0       0      0 .496 .00995  .0083  .0107  .0109  .00063 .00163  .00220
Cu2    .48613 .061215 .81351      .01084 .00813 .00980 .01437  .00096 .00132  .00045
Mg3   -.03662  .12866 .66179 .961  .0108  .0095  .0127  .0105  -.0001  .0024  -.0010
CuMg3 -.03662  .12866 .66179 .039  .0108  .0095  .0127  .0105  -.0001  .0024  -.0010
As     .38336 .117186 .33611      .00885 .00849 .00944 .00868 -.00036 .00163 -.00005
O1      .3498  .04317  .1671       .0138  .0188  .0095  .0125   .0021  .0007  -.0023
O2      .6149  .09660  .5199       .0150  .0103  .0210  .0123   .0001 -.0018   .0028
O3      .1144  .13312  .4139       .0156  .0098  .0246  .0133   .0036  .0047   .0021
O4      .4383  .19887  .2077       .0139  .0169  .0101  .0155  -.0008  .0047   .0019
Oh5     .1484  .02198  .7504       .0114  .0111  .0106  .0124  -.0003  .0017  -.0026
Oh6     .8180  .10178  .9159       .0116  .0110  .0115  .0122   .0002  .0021  -.0019
Ow1     .3132  .16615  .8361       .0118  .0130  .0090  .0134  -.0006  .0024   .0015
Ow2     .8780  .25109  .1683       .0165  .0118  .0141  .0228  -.0016  .0010   .0036
H1       .137   -.007   .693        .029
H2       .817    .129   .971        .025
H3       .354    .203   .789        .029
H4       .340    .177   .963        .032
H5       .968    .224   .235        .033
H6       .735    .241   .178        .033
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Brochantite
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Mills S J, Kampf A R, Pasero M, Merlino S
 
European Journal of Mineralogy 22 (2010) 453-457
Discreditation of ''orthobrochantite'' (IMA 78-64) as the MDO1 polytype
of brochantite
Note: This is the MDO1 polytype of brochanite, that used to be called orthobrochantite
Locality: Douglas Hill mine, Yerington, Nevada, USA
_database_code_amcsd 0018378
13.1117 9.8654 6.0307 90 103.255 90 P2_1/a
atom      x      y      z  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Cu1  .38150 .74087  .3167 .0077  .0108  .0072  .0054 -.0021  .0027  .0001
Cu2  .20272 .50997  .4761 .0095  .0117  .0091  .0075 -.0016  .0020 -.0007
Cu3  .20549 .50995 -.0217 .0082  .0095  .0077  .0077 -.0011  .0026  .0002
Cu4  .38001 .74252  .8146 .0085  .0123  .0081  .0054 -.0020  .0028 -.0010
S1    .1128  .8028  .1819 .0150  .0172  .0099  .0181 -.0008  .0046  .0010
O1    .4152  .8671  .5827 .0097   .012   .012   .006   .000   .004   .001
O2    .3444  .6181  .5506 .0126   .012   .012   .012  -.006  -.001  -.004
O3    .1368  .6048  .6938 .0194   .025   .035   .003  -.012   .011  -.005
O4    .2587  .4011  .2561  .026   .020   .048   .012  -.018   .008  -.005
O5    .3413  .6170  .0435 .0059   .007   .007   .005   .001   .004   .003
O6    .4087  .8678  .0800 .0075   .012   .008   .004  -.002   .004   .001
O7    .2228  .8594  .2394  .030   .020   .054   .016   .016   .002   .005
O8    .5577  .6496  .3665  .029   .011   .016   .058   .001   .005   .008
O9    .1185  .6500  .1867  .029   .035   .015   .032  -.010   .001   .001
O10   .5583  .6507  .9457  .031   .009   .016   .062   .000  -.003  -.006
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Pb3Fe2(PO4)4(H2O)
 
Mills S J, Kolitsch U, Miyawaki R, Hatert F, Poirier G, Kampf A R,
Matsubara S, Tillmanns E
 
European Journal of Mineralogy 22 (2010) 595-604
Pb3Fe3+2(PO4)4(H2O), a new octahedral-tetrahedral framework structure
with double-strand chains
Locality: synthetic
T = 220 C
_database_code_amcsd 0017730
9.0440 9.0440 16.766 90 90 90 P4_12_12
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  .13213 .13213      0     .01348  .0132  .0132  .0140 -.0026 .00283 -.00283
Pb2  .07837 .34364 .26523     .02156  .0256  .0270  .0121 -.0060 -.0006   .0007
Fe    .5003 .25894 .12075      .0047  .0040  .0066  .0033 -.0003  .0001  -.0004
P1    .2283  .4920 .07791      .0069  .0059  .0114  .0034  .0021  .0008  -.0007
P2    .4681  .2687 .31889      .0074  .0139  .0021  .0063 -.0022  .0008   .0001
O1    .5226  .2219  .2380       .017   .021   .025   .004  -.002   .001   -.001
O2    .1025  .3816  .0675      .0143   .008   .017   .018  -.004  -.002   -.006
O3    .3401  .3772  .3149       .018   .027   .012   .015   .011   .004    .000
O4    .3589  .4244  .1252      .0102   .009   .012   .009   .007  -.006   -.003
O5    .0960  .1684  .3809      .0106   .010   .014   .008   .009   .002    .002
O6    .4234  .1281  .3665      .0074   .011   .006   .005  -.001   .000    .003
O7    .2169  .0449  .2528      .0157   .016   .025   .006   .001   .004    .005
O8    .3245  .1219  .1190       .013   .009   .010   .018  -.007  -.002    .003
Wat   -.150   .082  .2375  .5   .010
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Arsenoflorencite-(La)
 
Mills S J, Kartashov P M, Kampf A R, Raudsepp M
 
European Journal of Mineralogy 22 (2010) 613-621
Arsenoflorencite-(La), a new mineral from the Komi Republic, Russian Federation:
description and crystal structure
Locality: Grubependity Lake cirque, Prepolar Ural, Komi Republic, Russia
_database_code_amcsd 0017090
7.0316 7.0316 16.5151 90 90 120 R-3m
atom      x       y       z   Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
La        0       0       0 .00728 .00815 .00815 .00555 .00408      0      0
Al       .5       0      .5  .0055  .0057  .0044  .0060  .0022 .00004  .0001
As        0       0  .31492 .00478 .00472 .00472 .00488 .00236      0      0
O1        0       0  .58543  .0113  .0117  .0117  .0105  .0059      0      0
O2   .20482 -.20482 -.05460  .0100  .0117  .0117  .0090  .0078  .0005  .0005
O3   .12273 -.12273  .13701  .0084  .0071  .0071  .0113  .0037  .0008  .0008
H      .194   -.194    .122   .048
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Afmite
 
Kampf A R, Mills S J, Rossman G R, Steele I M, Pluth J J, Favreau G
 
European Journal of Mineralogy 23 (2011) 269-277
Afmite, Al3(OH)4(H2O)3(PO4)(PO3OH)*H2O,a new mineral from Fumade, Tarn, France:
description and crystal structure
Locality: Fumade, Tarn, France
T = 298 K
_database_code_amcsd 0018452
7.386 7.716 11.345 99.773 91.141 115.58 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)
Al1   .1864 .8305 .7126 .026   .031   .008   .035   .004   .004   .011
Al2   .2134 .4544 .6879 .024   .019   .031   .022   .011   .001   .007
Al3   .3042 .8575 .2972 .018   .012   .017   .022   .003   .004   .005
P1    .3282 .1414 .5440 .018   .017   .014   .022   .007   .001   .001
P2    .0633 .1507 .8565 .027   .022   .027   .029   .008   .006   .005
O1    .1858 .9718 .5971 .024   .014   .051   .018   .020   .010   .021
O2    .3240 .0802 .4091 .030   .010   .040   .031   .002   .011   .009
O3    .5444 .2156 .6007 .031   .048   .017   .034   .019  -.002   .003
O4    .2677 .3112 .5576 .022   .022   .032   .021   .019  -.011   .013
O5    .2163 .3095 .8013 .020   .029   .000   .031   .005   .005   .004
O6    .1041 .9730 .8389 .024   .030   .026   .032   .024   .011   .015
O7    .8437 .0943 .8169 .016   .010   .017   .032   .009   .016   .020
OH8   .1061 .2342 .9962 .021   .020   .015   .026   .005  -.001   .005
OH9   .2352 .6431 .6019 .027   .038   .032   .031   .032   .014   .006
OH10  .9288 .3042 .6407 .027   .021   .025   .027   .002   .010   .008
OH11  .1502 .6327 .8078 .022   .015   .013   .035  -.001   .002   .015
OH12  .4622 .9848 .7763 .034   .013   .030   .037  -.006   .014  -.003
Wat13 .5098 .6040 .7443 .027   .022   .035   .020   .012  -.003   .001
Wat14 .8918 .6597 .6523 .026   .018   .005   .038  -.011   .008   .004
Wat15 .2589 .6128 .1767 .029   .031   .026   .050   .027   .018   .022
Wat16 .4778 .7673 .9921 .052   .043   .048   .043   .001   .005   .005
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Fluorocronite
 
Mills S J, Kartashov P M, Gamyanin G N, Whitfield P S, Kern A,
Guerault H, Kampf A R, Raudsepp M
 
European Journal of Mineralogy 23 (2011) 695-700
Fluorocronite, the natural analogue of beta-PbF2,
from the Sakha Republic, Russian Federation
Locality: Kupol’noe deposit, Sarychev range, Sakha Republic, Russian Federation
_database_code_amcsd 0018634
5.9306 5.9306 5.9306 90 90 90 Fm3m
atom   x   y   z
Pb     0   0   0
F    .25 .25 .25
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Verplanckite
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Kampf A R, Khan A A, Baur W H
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=29&spage=2019
Acta Crystallographica B29 (1973) 2019-2021
Barium chloride silicate with an open framework: verplanckite
Locality: Esquire No. 7 mine, Big Creek, Fresno County, California, USA
_database_code_amcsd 0009485
16.398 16.398 7.200 90 90 120 P6/mmm
atom     x     y    z  occ Biso
Ba1  .3484     0    0       2.9
Ba2  .2164 .4328   .5       2.2
MnX  .2606 .5212    0 .694  1.0
TiX  .2606 .5212    0 .256  1.0
FeX  .2606 .5212    0 .050  1.0
Si   .4440 .8880 .274       1.2
O1    .160  .499 .197       2.3
O2      .5     0 .206        .9
O3    .441  .882   .5       8.0
O4     1/3   2/3    0   .5  3.0
OH4    1/3   2/3    0   .5  3.0
Cl1    1/3   2/3   .5       5.0
Cl2   .142  .284 .118   .3  2.0
Cl3   .301     0   .5   .6  5.0
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Juabite
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Kampf A R, Mills S J
 
Journal of Geosciences 56 (2011) 235-247
The role of hydrogen in tellurites: crystal structure refinements of juabite,
poughite and rodalquilarite
Locality: Gold Chain mine, Tintic district, Juab County, Utah, USA
_database_code_amcsd 0018499
8.9925 10.1291 8.9971 102.668 92.490 70.434 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)
Ca        .5     .5      0  .0174  .0275  .0112  .0096  -.0015  -.0006  .0021
Cu1   .80847 .79847 .00221 .01053  .0082  .0178  .0067  -.0050 -.00123 .00412
Cu2   .29631 .84151 .51172 .00956  .0071  .0152  .0086  -.0056 -.00175  .0044
Cu3   .39218 .50715 .62469 .01284  .0124  .0114  .0135  -.0011   .0011  .0044
Cu4   .68366 .84877 .62919 .01128  .0077  .0217  .0072  -.0073 -.00098  .0049
Cu5  -.07412 .79869 .39124 .01257  .0085  .0242  .0073  -.0082 -.00112  .0039
Te1   .45602 .83827 .84848 .01031 .01015 .01328 .00919 -.00540  .00061 .00333
Te2   .12971 .83488 .17031 .01521 .01358 .02100 .01315 -.00748  .00011 .00520
As1   .06582 .77050 .72526 .00865 .00636  .0130 .00751 -.00388 -.00038 .00318
As2   .57354 .78999 .27256 .00731 .00623  .0102 .00642 -.00332 -.00031 .00284
O1     .9360  .7964  .1772  .0163  .0098  .0325  .0104  -.0104  -.0028  .0076
O2     .9955  .8138  .9048  .0173  .0123   .036  .0066  -.0120  -.0002  .0050
O3     .1835  .8663  .7093  .0134  .0109  .0192  .0120  -.0080   .0002  .0026
O4     .1208  .8388  .3848  .0154  .0104  .0314  .0097  -.0114  -.0031  .0088
O5     .6715  .8349  .8369  .0153  .0097  .0315  .0087  -.0091  -.0018  .0090
O6     .9079  .8216  .6126  .0133  .0077  .0264  .0064  -.0059  -.0009  .0045
O7     .4697  .8485  .6392  .0143  .0119  .0283  .0072  -.0104  -.0028  .0077
O8     .3907  .5973  .4521  .0147  .0136  .0145  .0149  -.0028  -.0017  .0043
H8      .316   .578   .394   .050
O9     .3879  .8893  .3402  .0112  .0061  .0155  .0122  -.0024   .0002  .0054
O10    .6056  .8444  .1173  .0126  .0095  .0204  .0100  -.0044  -.0007  .0082
O11    .5985  .6138  .2261  .0145  .0188  .0111  .0151  -.0060  -.0001  .0047
O12    .2642  .6526  .1042  .0306  .0201   .028   .032   .0003   .0017 -.0051
O13    .1627  .5943  .6638  .0207  .0134  .0134   .034  -.0023   .0010  .0052
O14    .7041  .8183  .4081  .0146  .0083  .0287  .0082  -.0088  -.0015  .0034
OW15   .0394  .5528  .3541  .0405   .045   .028   .049   -.017   -.010   .005
H15a   -.035   .513   .335   .050
H15b    .088   .544   .439   .050
OW16   .8644  .5590  .9418  .0489   .048   .024   .067   -.010   -.003   .000
H16a    .786   .533   .965   .050
H16b    .885   .537   .841   .050
O17    .4873  .6464  .8254  .0182  .0255  .0148  .0173  -.0095  -.0030  .0054
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Poughite
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Kampf A R, Mills S J
 
Journal of Geosciences 56 (2011) 235-247
The role of hydrogen in tellurites: crystal structure refinements of juabite,
poughite and rodalquilarite
Locality: Tambo mine, Coquimbo Regioin, Chile
_database_code_amcsd 0018500
9.6967 14.2676 7.8748 90 90 90 P2_1nb
atom      x      y      z   Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3)  U(2,3)
Fe1  .78997 .01378 .05942  .0119  .0084  .0186  .0087 -.0009 -.0003  -.0001
Fe2  .80679 .46555 .04731  .0112  .0095  .0145  .0096 -.0004  .0000  -.0010
Te1  .49972 .40022 .21999 .01141  .0082  .0160  .0100 -.0007 -.0003 -.00041
Te2  .07929 .09149 .21520 .01157  .0085  .0165  .0097 -.0011 -.0003  .00034
S1   .71579 .17290  .3354  .0132  .0138  .0132  .0124  .0013  .0034   .0006
OW1   .8956  .3372  .0717  .0230   .025   .021   .022   .010   .005    .002
H1a    .860   .288   .123   .050
H1b    .950   .322  -.014   .050
OW2   .3707  .1154  .0282  .0251   .035   .014   .026  -.002  -.012    .002
H2a    .367   .169  -.025   .050
H2b    .423   .117   .120   .050
O3    .9178  .0193  .2609  .0121   .004   .021   .011  -.004  -.001    .001
O4    .6851  .4385  .2651  .0106   .008   .017   .007  -.001   .000   -.002
O5    .4276  .0137  .3607  .0162   .013   .023   .013   .009   .001    .002
O6    .1447  .0859  .4401  .0127   .008   .022   .008   .004   .002   -.003
O7    .4414  .4193  .4451  .0176   .017   .026   .010   .003   .007   -.001
O8    .1707  .4865  .3698  .0169   .011   .028   .012   .001  -.002    .003
O9    .7196  .0980  .4630  .0174   .019   .020   .014  -.001  -.001   -.001
O10   .6933  .1330  .1615  .0168   .018   .021   .011   .003   .001    .000
O11   .8479  .2239  .3382  .0188   .022   .015   .019  -.006  -.001    .001
O12   .6009  .2352  .3747  .0200   .016   .024   .021   .008   .008    .002
OW13  .2140  .2845  .2844   .055   .097   .036   .031  -.001  -.022    .003
H13a   .231   .272   .391   .050
H13b   .166   .336   .271   .050
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Rodalquilarite
Download hom/rodalquilarite.pdf
Kampf A R, Mills S J
 
Journal of Geosciences 56 (2011) 235-247
The role of hydrogen in tellurites: crystal structure refinements of juabite,
poughite and rodalquilarite
Locality: Tambo mine, Coquimbo Regioin, Chile
_database_code_amcsd 0018501
5.1129 6.6481 9.0079 73.347 78.053 76.709 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)
Fe   .27611 .85489 .55577     .00733 .00710 .00701 .00800 -.00156 -.00182 -.00139
Te1  .12008 .34030 .68776     .00723 .00731 .00593 .00782 -.00083 -.00094 -.00117
Te2  .33841 .16581 .16967     .00894 .00901 .01131 .00728 -.00404 -.00083 -.00208
O1    .1934  .5929  .5382      .0096  .0151  .0058  .0088  -.0042  -.0034  -.0001
O2    .3628  .1361  .5839      .0103  .0079  .0090  .0146  -.0027   .0031  -.0063
O3    .4048  .3169  .8053      .0127  .0146  .0097  .0157  -.0026  -.0071  -.0022
H3     .449   .441   .792       .031
O4    .5437  .2849  .2623      .0130  .0177  .0108  .0128  -.0068  -.0080   .0007
O5    .1128  .0390  .3549      .0088  .0079  .0102  .0070  -.0018  -.0004  -.0003
O6    .0984  .4276  .1255      .0147  .0186  .0122  .0121   .0024  -.0072  -.0018
H6      .06    .47   .028  .5    .06
Cl        0      0      0      .0186  .0193  .0201  .0166  -.0101  -.0044   .0014
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Landesite
Download hom/landesite.pdf
Moore P B, Araki T, Kampf A R
Download mm/vol43/MM43_789.pdf
Mineralogical Magazine 43 (1980) 789-795
Nomenclature of the phosphoferrite structure type:
refinements of landesite and kryzhanovskite
_database_code_amcsd 0014472
9.458 10.185 8.543 90 90 90 Pbna
atom        x      y      z Biso B(1,1) B(2,2) B(3,3)  B(1,2)  B(1,3)  B(2,3)
Mn2+M2 .06251 .10100 .63964 1.31 .00328 .00334 .00474 -.00173 -.00009  .00041
Fe3+M1      0      0      0 1.13 .00261 .00248 .00491 -.00021 -.00044 -.00016
P      .20733 .10506 .29235  .75 .00121 .00183 .00358 -.00021  .00030 -.00008
O1      .2155  .2526  .3294 1.11 .00235 .00175 .00612  .00026  .00022  .00004
O2      .1051  .0378  .4074 1.05 .00165 .00291 .00464 -.00069  .00105  .00036
O3      .3566  .0444  .3087 1.41 .00168 .00286 .00841  .00061  .00126  .00012
O4      .1585  .0878  .1227 2.06 .00499 .00778 .00382 -.00306  .00038 -.00080
Wat1   -.0945    .25     .5 1.85 .00555 .00370 .00700       0       0 -.00099
Wat2   -.0293  .3322  .1363 1.44 .00217 .00349 .00716 -.00057 -.00014 -.00101
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Kryzhanovskite
Download hom/kryzhanovskite.pdf
Moore P B, Araki T, Kampf A R
Download mm/vol43/MM43_789.pdf
Mineralogical Magazine 43 (1980) 789-795
Nomenclature of the phosphoferrite structure type:
refinements of landesite and kryzhanovskite
_database_code_amcsd 0014473
9.450 10.013 8.179 90 90 90 Pbna
atom        x      y      z occ Biso B(1,1) B(2,2) B(3,3)  B(1,2)  B(1,3)  B(2,3)
Mn2+M2 .05105 .11205 .63602  .5 1.40 .00419 .00310 .00543 -.00161 -.00066 -.00047
Fe3+M2 .05105 .11205 .63602  .5 1.40 .00419 .00310 .00543 -.00161 -.00066 -.00047
Fe3+M1      0      0      0     1.16 .00200 .00349 .00508 -.00039 -.00044 -.00048
P      .20931 .10344 .28853      .62 .00109 .00122 .00370 -.00005  .00011  .00014
O1      .2131  .2541  .3291      .99 .00250 .00127 .00588 -.00029 -.00020 -.00020
O2      .1119  .0320  .4128      .97 .00146 .00205 .00585 -.00030  .00088  .00108
O3      .3614  .0446  .3033     1.09 .00115 .00286 .00641  .00064  .00049  .00112
O4      .1573  .0840  .1148     1.15 .00231 .00357 .00443 -.00077  -.0002 -.00146
Wat1   -.0672    .25     .5     1.68 .00727 .00196 .00615       0       0  .00013
Wat2   -.0303  .3389  .1358     1.26 .00147 .00243 .00856 -.00053 -.00043  .00149
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Bendadaite
 
Kolitsch U, Atencio D, Chukanov N V, Zubkova N V, Menezes L A D, Coutinho J M V,
Birch W D, Schluter J, Pohl D, Kampf A R, Steele I M, Favreau G, Nasdala L,
Mockel S, Giester G, Pushcharovsky D Y
 
Mineralogical Magazine 74 (2010) 469-486
Bendadaite, a new iron arsenate mineral of the arthurite group
Locality: Almerindo mine, Linopolis, Minas Gerais, Brazil
_database_code_amcsd 0015896
10.200 9.718 5.5432 90 94.05 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)
Fe(1)      .0      .0     .0 .948 .01304 .01469 .01264 .01210 -.00285 .00241 -.00171
Fe(2)  .45715  .13679 .33999 .931 .00815 .01042 .00689 .00716  .00032 .00074  .00007
Al(2)  .45715  .13679 .33999 .040 .00815 .01042 .00689 .00716  .00032 .00074  .00007
As    .298182 .426870 .32898 .741 .00792 .00861 .00787 .00738  .00010 .00130  .00012
P     .298182 .426870 .32898 .263 .00792 .00861 .00787 .00738  .00010 .00130  .00012
O(1)   .39899  .48388 .11976       .0122  .0136  .0117  .0116  -.0013  .0025  -.0014
O(2)   .35684  .48686 .59650       .0137  .0166  .0126  .0117  -.0005 -.0010   .0010
O(3)   .15115  .48741  .2615       .0179  .0161  .0207  .0170   .0015  .0028   .0016
O(4)   .29959  .25662 .32143       .0140  .0160  .0125  .0136   .0026  .0007  -.0004
Oh     .54491  .23380 .08027       .0140  .0167  .0130  .0124   .0034  .0033   .0026
Ow(1)  .12925 -.09593  .2979       .0241  .0213  .0304  .0205  -.0039  .0002  -.0015
Ow(2)  .04589  .18779  .1498       .0298  .0248  .0224  .0420  -.0031  .0008  -.0145
H        .586    .176   .999        .039
H11      .208    .915   .262        .057
H12      .128    .941   .456        .056
H21      .118    .211   .226        .061
H22      .992    .247   .181        .057
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Carlhintzeite
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Kampf A R, Colombo F, Gonzalez del Tanago J
 
Mineralogical Magazine 74 (2010) 623-632
Carlhintzeite, Ca2AlF7*H2O, from the Gigante granitic pegmatite,
Cordoba province, Argentina: description and crystal structure
Locality: Gigante pegmatite, Punilla Department, Cordoba Province, Argentina
_database_code_amcsd 0017800
9.4227 6.9670 9.2671 90.974 104.802 90.026 C-1
atom      x      y      z  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ca1  .58447 .99988 .35406 .0124  .0111  .0142  .0121  .0001  .0035  .0003
Ca2  .15860 .00061 .20308 .0132  .0111  .0156  .0125  .0004  .0024  .0009
Al1      .5      0      0 .0118  .0120  .0153  .0082 -.0004  .0028  .0001
Al2       0      0     .5 .0104  .0082  .0137  .0096  .0009  .0028  .0009
F1    .3830  .0293  .1242 .0234  .0166  .0413  .0136 -.0004  .0063  .0000
F2    .6195  .1794  .1143 .0192  .0187  .0180  .0187 -.0001  .0010 -.0020
F3    .6020  .8208  .1247 .0178  .0226  .0137  .0145  .0013  .0002  .0008
F4    .8251  .0012  .3695 .0219  .0099  .0401  .0147  .0016  .0015  .0015
F5    .5654  .6760  .3878 .0169  .0235  .0136  .0173 -.0009  .0119  .0015
F6    .5626  .3232  .3821 .0175  .0235  .0158  .0162 -.0005  .0106 -.0003
F7    .3564  .9934  .3963 .0186  .0111  .0323  .0122  .0001  .0024  .0018
OWat  .8927  .9824  .0868 .0224  .0161  .0332  .0176 -.0001  .0036  .0019
H1     .852   .091   .104  .050
H2     .845   .882   .108  .050
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Hydroniumpharmacosiderite
 
Mills S J, Kampf A R, Williams P A, Leverett P, Poirier G, Raudsepp M, Francis C A
 
Mineralogical Magazine 74 (2010) 863-869
Hydroniumpharmacosiderite, a new member of the pharmacosiderite supergroup
from Cornwall, UK: structure and description
Locality: Cornwall, UK
_database_code_amcsd 0017882
7.9587 7.9587 7.9587 90 90 90 P-43m
atom      x      y      z occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
K        .5     .0     .5 .13  .046
Fe   .14345 .14345 .14345     .0123  .0123  .0123  .0123 -.0016 -.0016 -.0016
As       .5     .0     .0     .0208  .0070  .0277  .0277      0      0      0
O1    .1245  .1245  .3837     .0265  .0338  .0338  .0118  -.008 -.0004 -.0004
O2    .8857  .8857  .8857     .0116  .0116  .0116  .0116 -.0023 -.0023 -.0023
Wat3     .5   .106     .5 .25  .050
Wat4   .693   .693   .693 .25  .047
H3O4   .693   .693   .693 .45  .047
O4     .693   .693   .693 .15  .047
H2    .8283  .8283  .8283      .014
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Munakataite
 
Kampf A R, Mills S J, Housley R M
 
Mineralogical Magazine 74 (2010) 991-998
The crystal structure of munakataite, Pb2Cu2(Se4+O3)(SO4)(OH)4,
from Otto Mountain, San Bernardino County, California, USA
Locality: Otto Mountain, San Bernardino County, California, USA
_database_code_amcsd 0018306
9.802 5.675 9.281 90 102.443 90 P2_1/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)
Pb1  .31694    .25 .41854 .976 .0219  .0208  .0198  .0232      0  .0008      0
Pb2  .33579    .25 .97549 .958 .0329  .0195  .0331  .0436      0  .0010      0
Cu    .9886 -.0002 .24421 .947 .0148  .0221  .0079  .0137 -.0011  .0024  .0001
Se    .3597    .75  .2215  .85 .0174  .0190  .0146  .0191      0  .0054      0
S     .3597    .75  .2215  .15 .0174  .0190  .0146  .0191      0  .0054      0
S     .3349    .75  .6883      .0172   .016   .010   .026      0   .006      0
O11    .376    .75  .0476       .045   .064   .049   .026      0   .020      0
O12   .2514  .5148  .2152       .023   .019   .021   .027  -.002   .003   .003
O21   .4828    .75  .7514       .028   .019   .039   .027      0   .009      0
O22   .3154    .75  .5248       .035   .041   .062   .000      0   .001      0
O23   .2690   .963  .7326       .031   .036   .026   .031   .008   .006   .006
OH1   .0260    .75  .3883       .018   .017   .014   .019      0  -.004      0
H1     .119    .75    .40       .050
OH2   .0775    .25  .3780       .016   .023   .016   .008      0   .000      0
H2      .06    .25   .470       .050
OH3   .0529    .75  .8975       .019   .007   .021   .023      0  -.009      0
H3     .141    .75    .95       .050
OH4   .0881    .25  .8924       .019   .029   .024   .002      0  -.004      0
H4      .07    .25   .984       .050
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Iangreyite
 
Mills S J, Kampf A R, Sejkora J, Adams P M, Birch W D, Plasil J
 
Mineralogical Magazine 75 (2011) 327-336
Iangreyite: a new secondary phosphate mineral closely related to perhamite
Locality: Silver Coin mine, Nevada, USA
_database_code_amcsd 0018377
6.988 6.988 16.707 90 90 120 P321
atom    x    y    z occ
Ca1     0    0    0
Ca2   2/3  1/3 .316  .5
Al1  .166  1/3 .835
Al2     0    0   .5
P1    2/3  1/3 .020
P2      0    0 .295
O1   .429 .214 .052
O2   .240 .120 .268
O3      0    0 .389
OH1   1/3  2/3 .070
OH2  .253    0   .5
OH3  .126 .252 .131
OH4  .914 .457 .192
Wat1  1/3  2/3 .250
Wat2 .030 .515 .402
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Anorpiment
 
Kampf A R, Downs R T, Housley R M, Jenkins R A, Hyrsl J
 
Mineralogical Magazine 75 (2011) 2857-2867
Anorpiment, As2S3, the triclinic dimorph of orpiment
Locality: Palomo mine, Castrovirreyna Province, Huancavelica Department, Peru
_database_code_amcsd 0018526
5.7577 8.7169 10.2682 78.152 75.817 89.861 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)
As1  .39108 .36238 .67225 .02442  .0243  .0206  .0277 -.00155 -.00473 -.00577
As2  .81064 .17527 .83715 .02433  .0265  .0212  .0283  .00289 -.00749 -.01095
As3  .37392 .67873 .83354 .02455  .0268  .0210  .0286  .00398 -.00738 -.01117
As4  .93519 .86377 .66860 .02401  .0267  .0201  .0271  .00446 -.00934 -.00593
S1   .90075 .92003 .87870  .0284  .0382  .0220  .0268   .0064  -.0107  -.0060
S2   .49936 .11754 .75544  .0304  .0245  .0219  .0492   .0035  -.0131  -.0124
S3   .75475 .61916 .74806  .0300  .0239  .0211  .0484   .0032  -.0105  -.0133
S4   .05571 .27458 .62594  .0271  .0284  .0279  .0273   .0003  -.0102  -.0070
S5   .31075 .77483 .62295  .0275  .0245  .0290  .0283   .0037  -.0047  -.0065
S6   .24319 .42417 .88062  .0290  .0358  .0232  .0264  -.0036  -.0044  -.0058
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Auriacusite
Download hom/auriacusite.pdf
Mills S J, Kampf A R, Poirier G, Raudsepp M, Steele I M
 
Mineralogy and Petrology 99 (2010) 113-120
Auriacusite, Fe3+Cu2+AsO4O, the first M3+ member of the olivenite group,
from the Black Pine mine, Montana, USA
Locality: Black Pine mine, Montana, USA
_database_code_amcsd 0014650
8.6235 8.2757 5.9501 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)
FeM   .1188 .1373    .5 .55 .0157  .0089  .0064  .0318  .0000      0      0
CuM   .1188 .1373    .5 .45 .0157  .0089  .0064  .0318  .0000      0      0
Cu        0    .5 .2491     .0054  .0081  .0059  .0021  .0024      0      0
As    .2510 .2630     0     .0054  .0055  .0043  .0064  .0006      0      0
O1A    .401  .396 -.051 .25  .001
O1B    .387  .404  .078 .25  .001
O2    .0827 .3667     0     .0056
O3    .2670 .1480  .231      .026
O4   -.0971 .6243    .5     .0035
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Plumboselite
 
Kampf A R, Mills S J, Pinch W W
 
Mineralogy and Petrology 101 (2011) 75-80
Plumboselite, Pb3O2(SeO3), a new oxidation-zone mineral from Tsumeb, Namibia
Locality: Tsumeb, Namibia
_database_code_amcsd 0018379
10.5384 10.7452 5.7577 90 90 90 Cmc2_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      .0  .8816  .814 .0204  .0197  .0162   .025     .0     .0  -.007
Pb2  .24794 .11233 .8125 .0199  .0200  .0207  .0190 -.0053   .006   .002
Se       .5  .8698 .8652  .024   .000   .032   .041     .0     .0   .001
O1     .138  1.000  .048  .029
O2       .5   .723  .765  .015
O3     .624   .930  .717  .028
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Schieffelinite
Download hom/schieffelinite.pdf
Kampf A R, Mills S J, Housley R M, Rumsey M S, Spratt J
 
American Mineralogist 97 (2012) 212-219
Lead-tellurium oxysalts from Otto Mountain near Baker, California:
VII. Chromschieffelinite, Pb10Te6O20(OH)14(CrO4)(H2O)5,
the chromate analog of schieffelinite
Locality: Otto Mountain near Baker, California, USA
_database_code_amcsd 0018765
9.6581 19.5833 10.5027 90 90 90 C222_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)
Pb1      .5 .73650    .25      .0318  .0276  .0239  .0440   .000  .0057   .000
Pb2  .85073 .65799 .37439     .02931  .0267  .0246  .0366 -.0003  .0054 -.0003
Pb3  .78502 .84797 .49090     .03594  .0603  .0240  .0235 -.0046 -.0084  .0030
Te1      .5 .55838    .25      .0198  .0258  .0174  .0164   .000  .0006   .000
Te2  .84780 .79060 .15087      .0179  .0164  .0193  .0179 -.0008 -.0018  .0005
S     .0640  .5036  .4652 .25   .044
O1    .6317  .6271  .2089       .024   .027   .022   .023  -.005  -.001   .012
OH2   .5713  .5540  .4240       .029   .039   .027   .022  -.004  -.006  -.001
OH3   .3724  .4866  .2976       .039   .043   .034   .041  -.020  -.003  -.010
O4    .9163  .7005  .1304       .023   .013   .025   .030  -.003   .000   .002
O5    .8153  .7347  .5610       .021   .015   .029   .019  -.005   .004   .003
O6    .7653  .7637  .3071       .023   .029   .026   .015   .004  -.005   .001
O7    .5580  .6813  .4976  .5   .024   .026   .029   .018   .000  -.002  -.003
OH7   .5580  .6813  .4976  .5   .024   .026   .029   .018   .000  -.002  -.003
O8        0  .8279    .25       .029   .020   .021   .046   .000  -.022   .000
OH9   .7676  .8815  .1632       .026   .021   .022   .037   .004  -.002   .004
O10    .214     .5     .5  .5   .067
O11    .488  .9372   .045  .5    .19
O12    .046   .526   .329 .25    .10
Wat1  -.114     .5     .5  .5    .14
Wat2   .482  .8803   .179  .5   .055
Wat3   .097   .534   .360  .5   .112
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Chromschieffelinite
 
Kampf A R, Mills S J, Housley R M, Rumsey M S, Spratt J
 
American Mineralogist 97 (2012) 212-219
Lead-tellurium oxysalts from Otto Mountain near Baker, California:
VII. Chromschieffelinite, Pb10Te6O20(OH)14(CrO4)(H2O)5,
the chromate analog of schieffelinite
Locality: Otto Mountain near Baker, California, USA
_database_code_amcsd 0018766
9.6646 19.4962 10.5101 90 90 90 C222_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)
Pb1   .5000 .73669  .2500     .02636  .0210  .0188  .0393   .000  .0048   .000
Pb2  .85091 .65778 .37381     .02338  .0188  .0200  .0314 -.0010  .0048  .0018
Pb3  .78519 .84795 .49042     .03141  .0551  .0189  .0202 -.0062 -.0102  .0037
Te1   .5000 .55833  .2500      .0149  .0183  .0134  .0131   .000 -.0005   .000
Te2  .84797 .79074 .15086     .01206  .0096  .0139  .0127 -.0005 -.0015  .0003
Cr    .0584  .5030  .4555 .25   .050
O1    .6286  .6271  .2077      .0170   .020   .011   .020   .006   .003   .000
OH2   .5707  .5544  .4228       .028   .032   .029   .023  -.003  -.010  -.002
OH3   .3728  .4860  .2998       .034   .053   .013   .036  -.014  -.001  -.002
O4    .9161  .6999  .1306      .0181   .010   .014   .030   .005  -.001   .004
O5    .8150  .7336  .5598      .0152   .026   .005   .014   .003   .008   .003
O6    .7655  .7640  .3088      .0137   .010   .020   .011   .000   .004   .004
O7    .5579  .6818  .4978  .5   .023   .023   .023   .022  -.002  -.011  -.002
OH7   .5579  .6818  .4978  .5   .023   .023   .023   .022  -.002  -.011  -.002
O8    .0000  .8272  .2500       .021   .008   .021   .033   .000  -.011   .000
OH9   .7667  .8820  .1633      .0204   .016   .022   .023   .003  -.004   .004
O10    .221  .5000  .5000  .5   .072
O11    .516  .9325   .050  .5   .130
O12    .054   .538   .313 .25   .033
Wat1  -.139  .5000  .5000  .5    .14
Wat2   .480  .8803   .176  .5   .078
Wat3   .124   .532   .386  .5   .102
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Kapundaite
 
Mills S J, Birch W D, Kampf A R, Christy A G, Pluth J J, Pring A,
Raudsepp M, Chen Y S
 
American Mineralogist 95 (2010) 754-760
Kapundaite, (Na,Ca)2Fe3+4(PO4)4(OH)3·5H2O, a new phosphate species from
Toms quarry, South Australia: Description and structural
relationship to melonjosephite
Locality: Toms quarry, South Australia
_database_code_amcsd 0018799
6.317 7.698 9.768 105.53 99.24 90.09 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)
Na    .439 .7184 .4298 .67 .056    .12   .016   .028   .004   .009   .008
Ca    .439 .7184 .4298 .33 .056    .12   .016   .028   .004   .009   .008
Fe1     .5     0     0     .013    .02   .018   .004  -.009   .002   .003
Fe2      0     0     0     .017    .03   .017   .003   .003   .002   .004
Fe3  .7976 .6972 .1730     .024    .02   .016   .033  -.003   .010   .003
P1    .177 .8785 .7118     .015    .01   .013   .026   .005   .009   .005
P2    .278 .6868 .1002     .021    .02   .012   .033   .002   .006   .010
O1    .832  .940  .323     .021    .02   .020   .024  -.010  -.003   .008
O2    .157  .723  .572     .023    .03   .015   .028   .001   .014  -.001
O3    .011  .143  .204     .034    .06   .019   .029   .002   .018   .007
O4    .414  .861  .802     .046    .09   .019   .026  -.025  -.007   .004
O5    .482  .686  .191     .019
O6    .114  .683  .195     .020
O7    .771  .463  .038     .024
O8    .262  .871  .059     .017    .01   .018   .031   .002   .009   .012
OH    .242  .165  .976     .027    .03   .029   .027  -.013  -.003   .013
Wat1  .831  .611  .372     .035    .07   .024   .023   .002   .007   .019
Wat2  .351  .394  .349      .05    .08   .044   .036   -.02   .005   .004
Wat3  .669  .979  .584      .06    .11   .011   .054    .02   .005   .013
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Metanatroautunite
 
Mills S J, Kampf A R, Birch W D
 
American Mineralogist 97 (2012) 735-738
The crystal structure of metanatroautunite, Na[(UO2)(PO4)](H2O)3,
from the Lake Boga Granite, Victoria, Australia
Note: z-coordinate of U changed from .40959 to match reported bond lengths
Locality: Lake Boga Granite, Victoria, Australia
_database_code_amcsd 0018862
6.9935 6.9935 17.5101 90 90 90 *P4/ncc
.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)
U      .25   .25 .04959     .0197  .0145  .0145  .0300      0      0      0
P      .75   .25      0     .0187  .0092  .0092  .0377      0      0      0
O1     .25   .25  .1508      .034   .031   .031   .040      0      0      0
O2     .25   .25  .9468      .033   .030   .030   .037      0      0      0
O3   .7191 .0760  .4478     .0344   .043   .012   .047  -.003  -.003  -.000
Na4   .173  .988  .3110 .25  .143
Wat4  .173  .988  .3110 .75  .143
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Falsterite
 
Kampf A R, Mills S J, Simmons W B, Nizamoff J W, Whitmore R W
 
American Mineralogist 97 (2012) 496-502
Falsterite, Ca2MgMn2+2(Fe2+0.5Fe3+0.5)4Zn4(PO4)8(OH)4(H2O)14, a new secondary
phosphate mineral from the Palermo No. 1 pegmatite, North Groton, New Hampshire
Locality: Palermo No. 1 pegmatite, North Groton, New Hampshire
_database_code_amcsd 0018881
6.3868 21.260 15.365 90 90.564 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)
Ca    .5368  .3734 .6401       .051   .051   .056   .046  -.004   .001   .000
Mg     .293  .0428 .5181 .464  .041   .023   .054   .047   .010   .018   .014
Zn     .293  .0428 .5181 .036  .041   .023   .054   .047   .010   .018   .014
Mn    .0451  .3486 .3910      .0533   .045   .066   .049   .000   .008  -.004
Fe1   .2933 .24592 .2653      .0454   .043   .051   .042   .004   .004  -.004
Fe2   .7899  .2456 .2650      .0473   .047   .050   .045   .000   .002   .001
Zn1   .2931 .18160 .5218      .0561   .045   .082   .042   .005   .002  -.002
Zn2   .7949 .18224 .5227      .0498   .048   .053   .048   .003   .001  -.003
P1    .0410  .2979 .5927       .052   .036   .063   .059   .001   .001  -.004
P2    .5452  .2914 .4394       .047   .045   .049   .048   .002   .020   .003
P3    .0352  .1305 .3659       .049   .055   .052   .041  -.005   .017   .003
P4    .5490  .1327 .6749       .052   .063   .050   .044   .000  -.014   .008
O1     .035  .3514 .5282       .048   .055   .029   .058   .012   .011   .030
O2     .238  .1993 .1496       .046   .027   .058   .052  -.012   .000   .022
O3     .839  .2045 .1485       .045   .033   .053   .048  -.017   .005   .002
O4     .043  .2323 .5431       .037   .034   .047   .030  -.009   .013  -.006
O5     .555  .3510 .4912       .049   .018   .073   .057  -.002  -.004   .003
O6     .742  .2857 .3839       .039   .020   .075   .023   .000  -.004   .016
O7     .543  .2318 .4964       .050   .030   .050   .069   .006  -.017  -.011
O8     .338  .2870 .3810       .052   .015   .058   .081   .005  -.005  -.006
O9     .837  .1323 .4209       .056    .08   .058   .028  -.018  -.008   .008
O10    .032  .0753 .3023       .071    .10   .047   .061  -.005  -.034  -.008
O11    .045  .1944 .3197       .052   .042   .050   .063   .000   .012   .032
O12    .232  .1246 .4285       .066   .073   .071   .054   .008  -.015  -.009
O13    .373  .1265 .6114       .073   .041   .075    .10  -.004  -.030  -.003
O14    .544  .0826 .7455       .052   .043   .054   .060   .018   .013  -.013
O15    .541  .2005 .7142       .067    .09   .063   .045   .015   .022  -.003
O16    .762  .1294 .6212       .064    .09   .064   .043   .029   .017   .017
OH17   .539  .1846 .2777       .043   .045   .027   .056   .003  -.013  -.001
OH18   .038  .3076 .2585       .050   .073   .047   .029   .015   .000  -.005
Wat19  .247  .4291 .3607       .061   .103   .033   .048  -.005   .028   .015
Wat20  .786  .4237 .3902       .058   .040   .077   .055  -.008  -.007  -.011
Wat21  .425  .4516 .7457       .078   .091   .051   .093  -.006   .027   .006
Wat22  .347  .4546 .5593       .073   .085   .052   .083   .009  -.007   .012
Wat23  .854  .4405 .6465       .063   .054   .060   .077  -.006   .029   .000
Wat24  .426  .9660 .5684       .090   .070   .063    .14   .004   .031  -.016
Wat25  .048  .0363  .596   .5  .052    .03    .04    .08    .00   -.03    .01
Wat26  .146  .9872  .423   .5  .054    .09    .06    .01    .03    .01   -.02
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Matulaite
Download hom/matulaite.pdf
Kampf A R, Mills S J, Rumsey M S, Spratt J, Favreau G
 
Mineralogical Magazine 76 (2012) 517-534
The crystal structure determination and redefinition of
matulaite, Fe3+Al7(PO4)4(PO3OH)2(OH)8(H2O)8*8H2O
Locality: Bachman mine, Hellertown, Northampton County, Pennsylvania, USA
_database_code_amcsd 0018885
10.604 16.608 20.647 90 98.848 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)
Fe    .5012 .84428 .24566 .71 .0372   .030   .025   .059 -.0006  .0158 -.0004
Al    .5012 .84428 .24566 .29 .0372   .030   .025   .059 -.0006  .0158 -.0004
Al1   .3876  .0873  .3597     .0383   .026   .028   .062  -.007   .011  -.002
Al2   .2319  .0902  .2028     .0353   .024   .033   .050  -.007   .009   .004
Al3   .1005  .9439  .1514     .0448   .040   .038   .060  -.001   .017   .004
Al4  -.0023  .8432  .2441     .0442   .036   .030   .071   .000   .021   .001
Al5   .8992  .7481  .3413     .0419   .036   .031   .059  -.002   .008  -.010
Al6   .7292  .0974  .2053     .0334   .028   .020   .056  -.002   .019   .001
Al7   .6080  .5915  .1391     .0387   .027   .029   .065   .001   .021   .000
P1    .3633  .6817  .1786     .0410   .031   .039   .057   .000   .021   .002
P2    .6361  .0028  .3210     .0445   .033   .031   .072   .001   .015   .000
P3    .2521  .9354  .2955     .0438   .038   .041   .055  -.008   .015  -.002
P4    .7467  .7492  .1964     .0397   .034   .035   .053  -.003   .016  -.006
P5    .6318  .7209  .3690     .0436   .031   .039   .062   .001   .012   .002
P6    .3725  .9736  .1266     .0434   .036   .038   .060   .002   .019  -.002
O1    .3686  .7705  .1970      .041   .044   .001   .077   .007   .004   .003
O2    .4709  .6614  .1386      .044   .035   .029   .069  -.008   .016  -.005
O3    .3784  .6267  .2398      .038   .037   .047   .032  -.011   .013   .006
O4    .2331  .6645  .1354      .037   .030   .027   .055  -.002   .013  -.002
O5    .6341  .9159  .2977      .037   .029   .028   .055  -.006   .006  -.002
O6    .7643  .0173  .3651      .040   .033   .031   .054   .005   .004   .003
O7    .6205  .0618  .2631      .044   .037   .039   .057   .012   .007   .015
O8    .5281  .0186  .3613      .045   .018   .037   .080   .001   .014   .012
O9    .3699  .8847  .2948      .044   .015   .056   .067   .006   .021   .001
O10   .2708  .9990  .3492      .040   .038   .033   .050  -.004   .012  -.003
O11   .1342  .8855  .3046      .045   .040   .050   .048  -.009   .017  -.007
O12   .2200  .9788  .2285      .039   .034   .027   .061  -.012   .023  -.005
O13   .8613  .7966  .1844      .048   .038   .031   .080  -.014   .020   .009
O14   .6300  .8041  .1957      .047   .047   .024   .078   .007   .031  -.003
O15   .7227  .6816  .1450      .046   .035   .040   .067  -.014   .016  -.004
O16   .7807  .7094  .2660      .044   .045   .045   .042  -.008   .005   .003
O17   .5406  .7605  .3166      .041   .028   .017   .078   .003   .011   .006
O18   .7611  .7638  .3867      .042   .036   .019   .073   .000   .019  -.006
O19   .6514  .6320  .3513      .041   .045   .000   .081   .002   .026   .001
Oh20  .5710  .7251  .4327      .043   .032   .036   .068  -.001   .025  -.002
H20    .497   .706   .442      .052
O21   .4658  .9275  .1770      .048   .048   .031   .065   .004   .010  -.012
O22   .3512  .0605  .1473      .044   .043   .034   .060   .011   .017  -.001
O23   .2430  .9307  .1086      .045   .029   .046   .064   .001   .018  -.001
Oh24  .4341  .9799  .0634      .057   .053   .049   .074   .010   .028  -.011
H24    .497   .952   .050      .068
Oh25  .3766  .1063  .2680      .040   .039   .010   .071  -.010   .010   .003
H25    .405   .156   .263      .048
Oh26  .0935  .0554  .1400      .045   .053   .035   .051  -.010   .019  -.007
H26    .105   .052   .098      .054
Oh27 -.0349  .9436  .2045      .049   .019   .032   .103   .006   .027   .042
H27   -.115   .926   .207      .059
Oh28 1.0297  .7445  .2869      .041   .023   .034   .063   .004  -.008   .001
H28   1.079   .704   .306      .050
Oh29  .6264  .5779  .2317      .043   .031   .021   .082   .004   .023  -.001
H29    .559   .606   .239      .052
Oh30 -.1037  .8554  .3109      .042   .045   .022   .061  -.001   .013  -.001
H30   -.165   .893   .296      .050
Oh31  .9029  .6380  .3564      .045   .038   .031   .068  -.011   .014   .008
H31    .975   .609   .363      .054
Oh32  .1051  .8351  .1783      .037   .021   .045   .053  -.004   .030   .001
H32    .176   .809   .169      .044
OW33  .5830  .5976  .0447      .049   .044   .042   .060  -.006   .008  -.009
H33A   .636   .626   .022      .059
H33B   .529   .571   .014      .059
OW34  .4867  .5005  .1236      .048   .043   .033   .070  -.004   .018   .013
H34A   .409   .478   .127      .057
H34B   .545   .471   .150      .057
OW35  .5149  .1740  .3832      .057   .039   .040   .096  -.012   .028  -.025
H35A   .594   .169   .373      .068
H35B   .494   .226   .381      .068
OW36  .2286  .2019  .1676      .050   .051   .045   .057   .013   .012   .002
H36A   .150   .207   .145      .061
H36B   .247   .149   .171      .061
OW37 1.0154  .7719  .4166      .056   .060   .036   .073  -.003   .012   .006
H37A  1.068   .814   .425      .068
H37B  1.017   .745   .454      .068
OW38 -.0100  .9234  .0741      .060   .064   .032   .082   .003   .005  -.002
H38A  -.031   .968   .051      .072
H38B  -.007   .882   .048      .072
OW39  .3895  .0707  .4530      .045   .049   .028   .059  -.005   .012  -.015
H39A   .450   .083   .487      .054
H39B   .400   .018   .444      .054
OW40  .7240  .9903  .1641      .050   .044   .021   .090   .004   .024  -.006
H40A   .656   .961   .173      .060
H40B   .776   .955   .148      .060
OW41  .7157  .7145  .5412      .073   .079   .060   .087   .001   .035   .002
H41A   .693   .736   .578      .088
H41B   .797   .730   .540      .088
OW42  .8197  .9077  .4752      .066   .044   .078   .086   .007   .036   .013
H42A   .736   .912   .478      .080
H42B   .826   .915   .432      .080
OW43  .5305  .1139  .5613      .067   .047   .078   .077   .009   .017   .007
H43A   .538   .099   .604      .080
H43B   .611   .126   .554      .080
OW44  .7394  .6636 -.0272      .081   .068   .088   .088   .019   .018   .016
H44A   .741   .671  -.070      .097
H44B    .77   .614  -.016      .097
OW45  .9833  .7215  .5366      .098   .124   .057   .121  -.030   .038  -.015
H45A  1.047   .685   .545      .118
H45B   .911   .695   .522      .118
OW46 -.1771  .0363  .0331      .085   .086   .072   .093   .004   .000   .012
H46A  -.261   .038   .039      .102
H46B  -.176   .062  -.007      .102
OW47 -.1552  .8153 -.0063      .092   .080   .075   .111  -.020  -.010  -.019
H47A   -.19   .863   .004      .110
H47B   -.13   .788   .031      .110
OW48   .352  .0974 -.0218      .113   .123   .089   .126   .029   .020   .003
H48A    .34   .074  -.062      .135
H48B    .38   .057   .008      .135
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Total number of retrieved datasets: 85
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