American Mineralogist Crystal Structure Database

28 matching records for this search.

Bernalite
Download hom/bernalite.pdf
Birch W D, Pring A, Reller A, Schmalle H W
Download am/vol78/AM78_827.pdf
American Mineralogist 78 (1993) 827-834
Bernalite, Fe(OH)3, a new mineral from Broken Hill, New South Wales:
Description and structure
Locality: Broken Hill, New South Wales, Australia
_database_code_amcsd 0001607
7.544 7.560 7.558 90 90 90 Immm
atom    x    y    z occ  Uiso
Fe    .25  .25  .25     .0049
OH1    .5 .178 .308      .001
OH2  .195 .190   .5      .001
OH3  .318   .5 .323      .001
Wat     0   .5   .5 .25 .0064
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Francisite
Download hom/francisite.pdf
Pring A, Gatehouse B M, Birch W D
Download am/vol75/AM75_1421.pdf
American Mineralogist 75 (1990) 1421-1425
Francisite, Cu3Bi(SeO3)2O2Cl, a new mineral from Iron Monarch, South Australia:
Description and crystal structure
_database_code_amcsd 0001339
6.354 9.630 7.220 90 90 90 *Pmmn
-.25 -.25 0
atom     x     y     z  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Bi     .25   .25 .2416       0.0066 0.0064 0.0082      0      0      0
Cu1      0     0     0       0.0116 0.0055 0.0123 -.0087 0.0041 -.0069
Cu2    .25   .25 .7922       0.0322 0.0061 0.0027      0      0      0
Se     .25 .5570 .6096       0.0072 0.0064 0.0092      0      0  .0008
Cl     .25   .75 .1488       0.0474 0.0345 0.0172      0      0      0
O1     .25 .1113 .9941 .0074
O2   .0409 .5836 .7552 .0157
O3     .25 .1173 .5872 .0169
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Bamfordite
Download hom/bamfordite.pdf
Birch W D, Pring A, McBriar E M, Gatehouse B M, McCammon C A
Download am/vol83/AM83_172.pdf
American Mineralogist 83 (1998) 172-177
Bamfordite, a new hydrated iron molybdenum oxyhydroxide from Queensland,
Australia: Description and crystal chemistry
_database_code_amcsd 0001962
5.878 7.536 9.436 71.66 83.43 72.85 P-1
atom      x     y      z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Mo1   .2370 .4809 .26057  .0060  .0057  .0056 -.0021  .0005 -.0003
Mo2   .0943 .2340 .05694  .0091  .0058  .0068 -.0031  .0004 -.0002
Fe1  -.0817 .8948  .4069  .0095  .0091  .0099 -.0027  .0011 -.0014
O1    -.216 .1160  .5005   .006   .008   .013  -.001  -.002  -.004
O2    -.401  .925  .3281   .014   .028   .010  -.009  -.002  -.003
O3     .081 .6791  .3278   .022   .007   .016  -.003   .002  -.006
O4     .530 .4586  .2840   .008   .013   .027  -.005  -.001  -.004
O5     .170 .2863  .4072   .020   .010   .011  -.007   .006   .002
O6     .338 .2860  .1252   .012   .009   .009  -.001   .000  -.002
O7     .076 .4876 -.1364   .008   .007   .007  -.002   .002   .002
O8    -.234 .3275 -.0392   .017   .011   .016  -.004  -.002  -.001
O9    -.017  .091  .2212   .011   .017   .011  -.004   .001  -.002
O10    .244  .081 -.0363   .017   .015   .014  -.001   .003  -.009
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Lakebogaite
 
Mills S J, Birch W D, Kolitsch U, Mumme W G, Grey I E
Download am/vol93/AM93_691.pdf
American Mineralogist 93 (2008) 691-697
Lakebogaite, CaNaFe3+2H(UO2)2(PO4)4(OH)2(H2O)8, a new uranyl phosphate with a
unique crystal structure from Victoria, Australia
Locality: Upper Devonian granite, near Lake Boga, northern Victoria, Australia
_database_code_amcsd 0004567
19.6441 7.0958 18.7029 90 115.692 90 Cc
atom     x     y     z  occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
U1   .0322 .5094 .1651 .888 .006   .003   .011   .004   .000   .001  -.001
U2   .9593 .5014 .8378      .016   .014   .025   .012  -.001   .008  -.002
Fe1  .2471 .7326 .5022      .013   .012   .019   .011  -.001   .007  -.001
Fe2  .2459 .2302 .5032  .91 .011   .009   .016   .010   .003   .005  -.001
Al2  .2459 .2302 .5032  .09 .011   .009   .016   .010   .003   .005  -.001
P1   .3711 .9773 .4742      .013   .011   .024   .004   .003   .005   .000
P2   .6225 .9882 .5323      .011   .007   .020   .007   .003   .004   .002
P3   .1521 .4703 .3417      .011   .004   .025   .004  -.002   .002  -.005
P4   .8385 .4940 .6595      .017   .015   .022   .014  -.002   .006  -.003
Ca1  .2678 .2311 .2990  .87 .014   .016   .017   .017   .005   .013   .000
Na1  .2678 .2311 .2990  .13 .014   .016   .017   .017   .005   .013   .000
Na2  .7159 .7405 .6913      .036   .032   .035   .048   .012   .024   .019
O1   .3370 .1460 .4967      .019
O2   .4463 .9223 .5409      .016
O3   .3165 .8069 .4528      .018
O4   .3798 .0352 .3975      .017
O5   .6102 .9406 .6038      .018
O6   .6537 .8158 .5098      .023
O7   .6750 .1568 .5499      .016
O8   .5460 .0415 .4624      .027
O9   .1645 .4920 .2675      .013
O10  .1749 .6433 .3953      .014
O11  .1981 .2967 .3868      .017
O12  .0650 .4359 .3097      .014
O13  .8188 .3206 .6110      .022
O14  .7908 .6620 .6195      .019
O15  .9251 .5329 .6925      .015
O16  .8321 .4603 .7399      .019
O17  .0360 .7502 .1870      .025
O18  .0292 .2606 .1454      .021
O19  .9526 .7509 .8460      .036
O20  .9656 .2492 .8259      .033
OH1  .2918 .4809 .5284      .018
OH2  .1971 .9798 .4733      .017
Wat1 .3490 .4715 .3907      .048
Wat2 .2112 .9241 .3021      .031
Wat3 .2958 .4679 .2152      .046
Wat4 .1706 .1125 .1614      .044
Wat5 .5519 .4796 .4587      .011
Wat6 .4546 .5083 .5248      .057
Wat7 .4160 .4894 .6819      .024
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Kintoreite
Download hom/kintoreite.pdf
Grey I E, Mumme W G, Mills S J, Birch W D, Wilson N C
Download am/vol94/AM94_676.pdf
American Mineralogist 94 (2009) 676-683
The crystal chemical role of Zn in alunite-type minerals:
Structure refinements for kintoreite and zincian kintoreite
Locality: Schone Aussicht mine, near Dernbach, Germany
_database_code_amcsd 0004931
7.2963 7.2963 16.8491 90 90 120 R-3m
atom     x      y      z occ  Uiso
Pb   .0537      0      0 1/6 .0196
Fe      .5      0     .5     .0094
P        0      0  .3148     .0088
O1       0      0  .5954     .0135
O2   .2193 -.2193 -.0516     .0173
O3   .1272 -.1272  .1324     .0093
H     .184  -.184   .100       .03
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Kintoreite
Download hom/kintoreite.pdf
Grey I E, Mumme W G, Mills S J, Birch W D, Wilson N C
Download am/vol94/AM94_676.pdf
American Mineralogist 94 (2009) 676-683
The crystal chemical role of Zn in alunite-type minerals:
Structure refinements for kintoreite and zincian kintoreite
Locality: Kintore mine at Broken Hill, New South Wales
_database_code_amcsd 0004932
7.3789 7.3789 16.8552 90 90 120 R-3m
atom     x      y      z   occ  Uiso
Pb   .0630      0      0   1/6 .0313
Fe      .5      0     .5       .0133
Zn   .0653 -.0653  .4954 .0517  .025
PX       0      0 .31364   .54 .0102
SX       0      0 .31364   .08 .0102
AsX      0      0 .31364  .383 .0102
O1       0      0  .5937        .024
O2   .2158 -.2158 -.0534       .0193
OH3  .1272 -.1272  .1330       .0153
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Coulsellite
 
Mumme W G, Grey I E, Birch W D, Pring A, Bougerol C, Wilson N C
 
American Mineralogist 95 (2010) 736-740
Coulsellite, CaNa3AlMg3F14, a rhombohedral pyrochlore with 1:3 ordering
in both A and B sites, from the Cleveland mine, Tasmania, Australia
Locality: Cleveland tin mine, Luina, western Tasmania
_database_code_amcsd 0020643
7.1756 7.1756 7.1756 59.867 59.867 59.867 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)
Ca       0     0     0 .0129  .0137  .0137  .0137 -.0051 -.0051 -.0051
Na      .5     0     0 .0194  .0098  .0251  .0251 -.0039 -.0039 -.0134
Al      .5    .5    .5 .0068  .0071  .0071  .0071 -.0026 -.0026 -.0026
Mg      .5    .5     0 .0067  .0068  .0068  .0056 -.0023 -.0017 -.0017
F1   .1710 .1710 .5778 .0118  .0094  .0094  .0145 -.0006 -.0045 -.0045
F2   .4371 .4371 .8007 .0124  .0154  .0154  .0086 -.0055 -.0045 -.0045
F3   .1246 .1246 .1246 .0117  .0116  .0116  .0116 -.0038 -.0038 -.0038
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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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Gobbinsite
Download hom/gobbinsite.pdf
Gatta G D, Birch W D, Rotiroti N
Download am/vol95/AM95_481.pdf
American Mineralogist 95 (2010) 481-486
Reinvestigation of the crystal structure of the zeolite gobbinsite:
a single-crystal x-ray diffraction study
Locality: Bundoora, Melbourne, Victoria, Australia
_database_code_amcsd 0005035
10.1035 9.7819 10.1523 90 90 90 Pmnb
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     .0753   .5486  .6519 .592  .074  .0586   .116  .0462  .0101  .0169   .0319
Ca     .0447   .5065  .5408 .154  .098   .163   .071   .061  -.022  -.014    .016
AlT1  .40570  .13813 .35438 .353 .0121  .0114  .0123  .0125 -.0004 -.0017  .00146
SiT1  .40570  .13813 .35438 .647 .0121  .0114  .0123  .0125 -.0004 -.0017  .00146
AlT2  .40577 -.17927 .40411 .353 .0117  .0110  .0116  .0124 -.0004 -.0009 -.00130
SiT2  .40577 -.17927 .40411 .647 .0117  .0110  .0116  .0124 -.0004 -.0009 -.00130
O1    .44147 -.02673 .34254      .0255  .0292  .0178  .0295 -.0007  .0023   .0037
O2    .50124  .21335 .46586      .0253  .0262  .0242  .0256 -.0009 -.0086  -.0028
O3    .43921  .20512 .20920      .0291  .0393  .0251  .0230  .0023  .0006   .0074
O4       .25  .16485 .39755      .0282  .0189  .0339  .0317      0      0  -.0045
O5       .25  -.1873 .45158      .0284  .0175  .0348  .0328      0      0   .0044
Wat1     .75  -.4058  .2289  .54  .132   .039   .269   .088      0      0    .091
Wat2     .75  -.1176  .3039  .47  .107   .070   .194   .058      0      0    .018
Wat2a    .75  -.2013  .2151  .51  .098   .059   .143   .092      0      0   -.037
Wat3a    .75   .1263  .0802  .54  .129   .125   .150   .112      0      0    .008
Wat3b    .75   .0333 -.0225  .67  .305    .76   .069   .084      0      0    .004
Wat3c    .75   .0358 -.0219  .54  .146
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Waterhouseite
 
Pring A, Kolitsch U, Birch W D
Download cm/vol43/CM43_1401.pdf
The Canadian Mineralogist 43 (2005) 1401-1410
Description and unique crystal-structure of waterhouseite,
a new hydroxy manganese phosphate species from the Iron Monarch deposit,
Middleback Ranges, South Australia
Locality: Iron Monarch mine, Iron Knob, South Australia
_database_code_amcsd 0006050
11.364 5.570 10.455 90 96.61 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      .5      0     .5 .0121  .0126  .0114  .0124  .0004  .0018 -.0002
Mn2  .04797 .53843 .36737 .0147  .0143  .0161  .0143 -.0014  .0037 -.0016
Mn3  .18562 .51473 .10420 .0132  .0130  .0137  .0130 -.0004  .0019  .0006
Mn4  .42873 .00344 .14595 .0133  .0153  .0115  .0132 -.0012  .0018 -.0002
P    .27486  .3048 .35133 .0099  .0082  .0114  .0100  .0010  .0002  .0000
O1    .2819  .1883  .2186 .0156   .012   .019   .015  .0019  .0005 -.0008
O2    .1796  .1845  .4256 .0177   .019   .019   .015  .0007  .0013  .0026
O3    .3986  .3147  .4344 .0156   .013   .017   .016 -.0007 -.0007  .0029
O4    .2326  .5696  .3215 .0157   .018   .014   .015  .0026  .0022 -.0016
OH5   .3432  .6954  .0569 .0144   .014  .0145   .014 -.0013  .0028  .0005
OH6   .5401  .3039  .1800 .0152   .017  .0142   .014 -.0030 -.0016 -.0030
OH7   .0206  .3925  .1718 .0154   .015   .015   .017 -.0025  .0034  .0027
OH8   .1019  .6346  .5682 .0158   .014   .018   .016  .0000  .0014 -.0023
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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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Zincolibethenite
 
Williams P A, Leverett P, Birch W D, Hibbs D E, Kilitsch U, Mihajlovic T
 
Australian Journal of Mineralogy 12 (2006) 3-7
Zinc-rich zincolibethenite from Broken Hill, New South Wales
Locality: Block 14 open cut, Broken Hill, New South Wales, Australia
Note: z-coordinate of O3 altered by communication with authors, April 2010
_database_code_amcsd 0012060
8.323 8.251 5.861 90 90 90 Pnnm
atom     x     y     z occ Uiso
Zn1  .3606 .3709    .5     .008
Cu       0    .5 .2509 .94 .010
Zn2      0    .5 .2509 .06 .010
P    .2335 .2529     0 .98 .006
As   .2335 .2529     0 .02 .006
O1   .1098 .1131     0     .011
O2   .1329 .4131     0     .009
O3   .3405 .2425 .2119     .011
Oh   .1167 .3937    .5     .009
H    .0920 .3070    .5     .038
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Ulrichite
Download hom/ulrichite.pdf
Birch W D, Mumme W G, Segnit E R
 
Australian Mineralogist 3 (1988) 125-131
Ulrichite: a new copper calcium uranium phosphate from Lake Boga, Victoria, Australia
Locality: Lake Boga, Victoria, Australia
_database_code_amcsd 0012062
12.79 6.85 13.02 90 91.03 90 C2/m
atom     x     y     z occ  Uiso
Ca   .2388    .5 .3259     .0187
Cu1     .5     0    .5      .047
Cu2      0     0     0     .0334
U    .2535     0 .1832     .0451
P    .2503     0 .4279     .0204
P2   .2689    .5 .0897     .0418
O1   .2881     0 .0273      .018
Wat2 .4308    .5 .2881      .037
Wat3 .4896 .2219 .4554  .5  .059
O4   .2317 .3251 .1702      .016
Wat5 .0507    .5 .3324      .048
O6   .3950    .5 .0923      .008
Wat7 .0380 .2556 .0390  .5  .039
O8   .3986     0 .2000      .004
O9   .1589     0 .5029      .062
O10  .3655     0 .4999      .059
O11  .2503 .1761 .3499      .031
O12  .1125     0 .1844      .053
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Plimerite
Download hom/plimerite.pdf
Elliot P, Kolitsch U, Giester G, Libowitzky E, McCammon C, Pring A, Birch W D, Brugger J
 
Mineralogical Magazine 73 (2009) 131-148
Description and crystal structure of a new mineral - plimerite, ZnFe3+4(PO4)3(OH)5 - the
Zn-analogue of rockbridgeite and frondelite, from Broken Hill, New South Wales, Australia
Locality: Broken Hill, New South Wales, Australia
_database_code_amcsd 0014590
13.865 16.798 5.151 90 90 90 Bbmm
atom       x      y      z occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
FeM1       0     .5      0     .0091  .0095  .0074  .0103      0      0 -.0004
ZnM2  .06888 .65849      0 .58 .0168  .0158  .0086  .0259      0      0 -.0005
FeM2  .06888 .65849      0 .42 .0168  .0158  .0086  .0259      0      0 -.0005
FeM3  .32193 .63906  .2323 .94 .0087  .0095  .0068  .0097  .0001  .0014 -.0007
AlM3  .32193 .63906  .2323 .06 .0087  .0095  .0068  .0097  .0001  .0014 -.0007
P1    .14325 .54388     .5     .0096  .0091  .0056  .0141      0      0 -.0004
P2    .48312    .75      0     .0120  .0112  .0072  .0176      0      0      0
O1     .5464    .75 -.2479     .0201   .020  .0146   .025      0  .0123      0
O2     .0811 .55837  .2562     .0151  .0146  .0189  .0117  .0004 -.0038 -.0050
OH3    .3147    .75  .3801     .0144   .019   .008   .016      0   .008      0
O4     .1813  .4595     .5     .0278   .019  .0082   .056      0      0  .0042
OH5    .2154  .6745      0     .0198  .0139  .0099   .036      0      0  .0025
OH6    .0749  .3947      0     .0137  .0131  .0151  .0131      0      0  .0034
O7     .4211  .6745      0     .0160   .017  .0096   .021      0      0 -.0043
O8     .2238  .6063     .5     .0126  .0123  .0105  .0150      0      0 -.0020
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Plimerite
Download hom/plimerite.pdf
Elliot P, Kolitsch U, Giester G, Libowitzky E, McCammon C, Pring A, Birch W D, Brugger J
 
Mineralogical Magazine 73 (2009) 131-148
Description and crystal structure of a new mineral - plimerite, ZnFe3+4(PO4)3(OH)5 - the
Zn-analogue of rockbridgeite and frondelite, from Broken Hill, New South Wales, Australia
Locality: Broken Hill, New South Wales, Australia
_database_code_amcsd 0014590
13.865 16.798 5.151 90 90 90 Bbmm
atom       x      y      z occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
FeM1       0     .5      0     .0091  .0095  .0074  .0103      0      0 -.0004
ZnM2  .06888 .65849      0 .58 .0168  .0158  .0086  .0259      0      0 -.0005
FeM2  .06888 .65849      0 .42 .0168  .0158  .0086  .0259      0      0 -.0005
FeM3  .32193 .63906  .2323 .94 .0087  .0095  .0068  .0097  .0001  .0014 -.0007
AlM3  .32193 .63906  .2323 .06 .0087  .0095  .0068  .0097  .0001  .0014 -.0007
P1    .14325 .54388     .5     .0096  .0091  .0056  .0141      0      0 -.0004
P2    .48312    .75      0     .0120  .0112  .0072  .0176      0      0      0
O1     .5464    .75 -.2479     .0201   .020  .0146   .025      0  .0123      0
O2     .0811 .55837  .2562     .0151  .0146  .0189  .0117  .0004 -.0038 -.0050
OH3    .3147    .75  .3801     .0144   .019   .008   .016      0   .008      0
O4     .1813  .4595     .5     .0278   .019  .0082   .056      0      0  .0042
OH5    .2154  .6745      0     .0198  .0139  .0099   .036      0      0  .0025
OH6    .0749  .3947      0     .0137  .0131  .0151  .0131      0      0  .0034
O7     .4211  .6745      0     .0160   .017  .0096   .021      0      0 -.0043
O8     .2238  .6063     .5     .0126  .0123  .0105  .0150      0      0 -.0020
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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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Whiteite-(CaMnMn)
 
Grey I E, Mumme W G, Neville S M, Wilson N C, Birch W D
 
Mineralogical Magazine 74 (2010) 969-978
Jahnsite - whiteite solid solutions and associated minerals in
the phosphate pegmatite at Hagendorf-Sud, Bavaria, Germany
Locality: Hagendorf-Sud, Bavaria, Germany
_database_code_amcsd 0018316
14.941 6.9495 10.054 90 111.00 90 P2/a
atom      x     y     z  occ  Uiso
CaX     .25 .9770     0 1.18  .032
MnM1    .25 .4798     0      .0150
FeM2a    .5     0    .5  .86 .0203
MgM2a    .5     0    .5  .14 .0203
FeM2b   .25 .4966    .5  .85 .0188
MgM2b   .25 .4966    .5  .15 .0188
AlM3a     0     0     0  .80  .032
FeM3a     0     0     0  .20  .032
AlM3b     0    .5     0  .96  .007
FeM3b     0    .5     0  .04  .007
P1    .1786 .2574 .1859      .0167
P2    .0793 .7489 .8035      .0148
O1    .2707 .2319 .1503       .028
O2    .2007 .2870 .3415       .030
O3    .1178 .0771 .1342       .038
O4    .1315 .4353 .0956       .028
O5    .1879 .7087 .8547       .031
O6    .0420 .7766 .6450       .021
O7    .0681 .9307 .8809       .028
O8    .0282 .5867 .8407       .025
OH9   .0222 .7506 .0792       .015
Wat10 .2255 .7314 .3413       .040
Wat11 .4532 .2157 .3393       .036
Wat12 .6364 .9984 .4769       .036
Wat13 .3955 .5121 .5074       .034
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Nordgauite
 
Birch W D, Grey I E, Mills S J, Pring A, Bougerol C, Ribabldi-Tunnicliffe A,
Wilson N C, Keck E
 
Mineralogical Magazine 75 (2011) 269-278
Nordgauite, MnAl2(PO4)2(F,OH)2*5H2O, a new mineral from the Hagendorf-Sud
pegmatite, Bavaria, Germany: description and crystal structure
Locality: the Hagendorf-Sud pegmatite, Bavaria, Germany
_database_code_amcsd 0018376
9.887 9.796 6.054 92.70 99.83 97.10 P-1
atom      x     y     z occ Uiso
Mn    .5912 .4114 .3502 .87 .017
Ca    .5912 .4114 .3502 .07 .017
Fe    .5912 .4114 .3502 .04 .017
Zn    .5912 .4114 .3502 .01 .017
Mg    .5912 .4114 .3502 .01 .017
P(1)  .8916 .7300 .7074     .013
P(2)  .6689 .4390 .9183     .014
Al(1)     0    .5     0     .011
Al(2)     0     0    .5     .013
Al(3) .7963 .7182 .1841     .012
O(1)  .7961 .6899 .4824     .016
O(2)  .7981 .7456 .8815     .014
O(3)  .9847 .8665 .6996     .016
O(4)  .9892 .6220 .7707     .015
O(5)  .8152 .4215 .8860     .016
O(6)  .6007 .3091 .0098     .019
O(7)  .5843 .4725 .6950     .017
O(8)  .6722 .5539 .1068     .015
F(1)  .9084 .8831 .2610     .020
F(2)  .9466 .6235 .1914     .016
Ow1   .8239 .0576 .5524     .021
Ow2   .6402 .8210 .1723     .018
Ow3   .4573 .2194 .3759     .024
Ow4   .7906 .3354 .4509     .020
Ow5   .7476 .0746 .9839     .030
H(11) .8100 .1390 .5140     .041
H(12) .8050 .0490 .6520     .060
H(21) .6560 .8950 .1310     .042
H(22) .5690 .7820 .1130     .025
H(31) .4420 .2000 .5120     .031
H(32) .3750 .2270 .2880     .070
H(41) .8520 .3490 .3580     .037
H(42) .8170 .3580 .5770     .049
H(51) .8380 .0890 .0560     .047
H(52) .7240 .1590 .9950     .090
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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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Strunzite
Download hom/strunzite.pdf
Grey I E, Macrae C M, Keck E, Birch W D
 
Mineralogical Magazine 76 (2012) 1165-1174
Aluminium-bearing strunzite derived from jahnsite at the Hagendorf-Sud
pegmatite, Germany
Locality: Hagendorf-Sud pegmatite, Germany
_database_code_amcsd 0019617
10.277 9.826 7.205 90.077 98.865 118.442 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)
Mn     .5002  .3289  .2497     .018   .015   .016   .024   .009   .001  -.001
Fe(1)  .9694  .2439  .1384 .72 .012   .013   .009   .014   .008  -.004  -.003
Al(1)  .9694  .2439  .1384 .28 .012   .013   .009   .014   .008  -.004  -.003
Fe(2)  .0301  .7741  .3618 .72 .013   .015   .008   .016   .008  -.004  -.004
Al(2)  .0301  .7741  .3618 .28 .013   .015   .008   .016   .008  -.004  -.004
P(1)   .8132  .4666  .0584     .012   .012   .008   .017   .006  -.001  -.002
P(2)   .1869  .1527  .4415     .013   .013   .010   .016   .007  -.003  -.001
O(1)   .6474  .4022  .0635     .025   .016   .035   .020   .009   .000   .000
O(2)   .8417  .3304  .0214     .023   .031   .020   .021   .019  -.010  -.007
O(3)   .9097  .5559  .2471     .016   .021   .015   .016   .012   .000  -.002
O(4)   .8496  .5706  .8944     .019   .024   .015   .015   .010  -.003   .001
O(5)   .0901  .1456  .2512     .016   .014   .015   .019   .009  -.005  -.002
O(6)   .1564 -.0122  .4777     .021   .029   .019   .019   .019  -.005   .001
O(7)   .3515  .2515  .4379     .024   .016   .029   .020   .006  -.001  -.004
O(8)   .1529  .2226  .6036     .019   .012   .017   .025   .007  -.004  -.004
Oh1    .9615  .3094  .3917     .019   .025   .019   .020   .018  -.004  -.003
Oh2    .0384  .8474  .1084     .020   .029   .010   .023   .013  -.006  -.005
Ow1    .3087  .2407  .0120     .027   .026   .030   .030   .020   .001  -.004
Ow2    .6922  .4330  .4882     .025   .021   .018   .030   .007   .000  -.001
Ow3    .4997  .5511  .2502     .029   .035   .020   .028   .014  -.007  -.005
Ow4    .5032  .1024  .2504     .059   .068   .028   .087   .029   .007   .000
Ow5    .2317  .7766  .3361     .027   .030   .030   .028   .022  -.002  -.003
Ow6   -.2319  .0456  .1652     .024   .028   .018   .022   .012  -.005  -.003
HOh1   .9460  .3800  .3840     .039
HOh2   .0360  .9270  .1220     .039
H1A    .3110  .2770 -.0910     .039
H1B    .2500  .2500  .0570     .039
H2A    .6770  .4720  .5770     .039
H2B    .7680  .4900  .4590     .039
H3A    .5540  .6240  .3290     .039
H3B    .4260  .5070  .2950     .039
H4A    .4920  .1110  .1400     .039
H4B    .4290  .0380  .2800     .039
H5A    .2130  .7360  .2290     .039
H5B    .2420  .7140  .4000     .039
H6A   -.1950  .0290  .2600     .039
H6B   -.2450 -.0270  .0970     .039
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Betpakdalite-CaMg
Download hom/betpakdalitecamg.pdf
Kampf A R, Mills S J, Rumsey M S, Dini M, Birch W D, Spratt J, Pluth J J, Steele I M,
Jenkins R A, Pinch W W
 
Mineralogical Magazine 76 (2012) 1175-1207
The heteropolymolybdate family: structural relations, nomenclature scheme and new species
Locality: Tsumeb, Namibia
_database_code_amcsd 0019591
19.5336 11.0637 15.2559 90 131.528 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)
Ca      .15478  -.17861  .48479 .482  .0292  .0292  .0241  .0287   .0001  .0169  .0101
Na      .15478  -.17861  .48479 .018  .0292  .0292  .0241  .0287   .0001  .0169  .0101
Mg          .5        0       0       .0152  .0102  .0195  .0164       0  .0091      0
Mo1    .214851 -.160513 .193999      .00835 .00993 .00816 .00875  .00080 .00695 .00072
Mo2    .370947        0  .19671      .00797 .00734 .00876 .00776       0 .00498      0
Mo3    .375826        0  .42469      .01243 .00946 .01899 .00823       0 .00560      0
As    -.134700        0  .05865      .00844 .00817 .00905 .00843       0 .00564      0
Fe1        .75      .75       0      .01106 .01247 .00966 .01233 -.00046 .00876 .00073
Fe2          0        0       0      .01209  .0108  .0145  .0126       0  .0084      0
O1      .21258        0  .09237       .0098  .0088  .0113  .0076       0  .0047      0
O2      .23791        0  .28512       .0115  .0104  .0145  .0104       0  .0072      0
O3      .34240  -.12493  .10234       .0155  .0165  .0141  .0184  -.0021  .0126 -.0040
O4      .35036  -.11319  .28652       .0130  .0111  .0163  .0121   .0007  .0078  .0004
O5      .21873  -.25423  .10148       .0158  .0221  .0130  .0181  -.0007  .0158 -.0017
O6      .09475  -.12795  .10119       .0153  .0118  .0159  .0166   .0001  .0087  .0005
O7      .15162  -.12422 -.10525       .0182  .0223  .0141  .0136   .0060  .0100 -.0024
O8      .02891        0  -.1055       .0177  .0090  .0306  .0141       0  .0079      0
O9      .37073  -.12265  .48874       .0231  .0222  .0241  .0146  -.0024  .0086  .0027
O10     .48694        0   .2921       .0175  .0114  .0237  .0149       0  .0077      0
O11     .23494  -.26014  .29470       .0200  .0262  .0191  .0196   .0020  .0172  .0052
O12         .5        0      .5       .0275  .0082   .058  .0116       0  .0046      0
Wat1    .46462   -.1355   .0570       .0495  .0383  .0670  .0459  -.0204  .0291  .0024
Wat2     .6282        0   .1656       .0389  .0215   .055  .0275       0  .0108      0
Wat3    -.2093        0   .2204       .0389   .054  .0364   .049       0  .0432      0
Wat4     .1270   -.0485   .3388 .528  .0388   .033   .060   .027   .0001  .0212  .0084
Wat5    -.1082   -.0282   .4607 .515   .064   .067   .059   .056   -.015   .037   .002
Wat6    -.2934   -.0430   .4060 .546  .0372   .044   .034   .040   .0004   .030 -.0023
Wat7    -.2310   -.1986   .5053 .495  .0363   .054   .030   .047    .007   .043   .001
Wat8     .4770   -.3086   .3511  .77   .066   .055   .055   .054    .008   .022  -.003
Wat9     .0569   -.2326   .2578 .526   .058   .053   .054   .058    .002   .034   .003
Wat10    .4160   -.1978   .6985 .297   .044   .045   .051   .031   -.013   .023  -.006
Wat11    .5140    -.268    .306 .157   .069
Wat12    .4922    -.303    .412  .21   .071
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Obradovicite-NaNa
 
Kampf A R, Mills S J, Rumsey M S, Dini M, Birch W D, Spratt J, Pluth J J, Steele I M,
Jenkins R A, Pinch W W
 
Mineralogical Magazine 76 (2012) 1175-1207
The heteropolymolybdate family: structural relations, nomenclature scheme and new species
Locality: Chuquicamata mine, Antofagasta, Chile
_database_code_amcsd 0019592
14.8866 11.0880 15.0560 90 90 90 Pnmb
atom       x      y      z occ   Uiso U(1,1) U(2,2) U(3,3)  U(1,2)  U(1,3)  U(2,3)
Na1        0      0     .5 .76   .089   .123   .042   .103       0    .069       0
Mo1   .20915 .65997 .47922     .01298  .0129  .0129  .0131 -.00106 -.00069 -.00013
Mo2   .33768     .5 .32183     .01254  .0102  .0131  .0142       0  -.0002       0
Mo3   .38399     .5 .54912     .01694  .0122  .0226  .0160       0  -.0035       0
Fe1   .20109    .75    .25      .0148  .0162  .0123  .0160       0       0   .0018
Fe2        0     .5     .5      .0155  .0136  .0170  .0159       0   .0027       0
As    .09972     .5 .30715     .01216  .0114  .0120  .0130       0  -.0005       0
O1     .1907     .5  .3784      .0123   .010   .014   .013       0  -.0033       0
O2     .2451     .5  .5450      .0165   .012   .024   .014       0  -.0010       0
O3     .2978  .6247  .2571      .0179  .0189  .0152  .0195   .0023   .0003   .0031
O4     .3386  .3867  .4339      .0176  .0148  .0220  .0160   .0001  -.0004   .0017
O5     .1984  .7538  .3829      .0182  .0207  .0163  .0176   .0025   .0032   .0010
O6     .0941  .6284  .5072      .0188  .0158  .0193  .0214  -.0011   .0025   .0008
O7     .1049  .8763  .2560      .0217  .0203  .0194   .025   .0052   .0063   .0078
O8     .0056     .5  .3670      .0213   .014   .033   .017       0    .000       0
O9     .3895  .3782  .6178      .0336   .028   .041   .032  -.0065  -.0131    .014
O10    .4494     .5  .3002      .0253   .013   .040   .024       0    .002       0
O11    .2399  .7607  .5592      .0239   .026   .025  .0214  -.0025  -.0026  -.0060
O12       .5     .5     .5      .0272   .009   .045   .027       0   -.001       0
Wat1   .1616      0  .4423 .97   .107   .211   .032   .077       0   -.042       0
Wat2  -.0315  .1635  .3862       .097   .077   .103   .112   -.018    .047   -.054
Na2A    .272    .75    .75 .42   .158
Na2B    .178    .75    .75 .32    .18
Na3A   .1806      0  .6200 .52   .056
Na3B    .216      0  .6214 .12   .017
Wat3   .4297  .1856  .3869 .93   .121
Wat4A  .1634      0  .7925 .46   .054
Wat4B  .1582   .938  .7889 .28   .044
Wat5    .360      0   .479 .60    .19
Wat6    .528    .25    .25 .33    .13
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Manganoblodite
 
Kasatkin A V, Nestola F, Plasil J, Marty J, Belakovskiy D I, Agakhanov A A,
Mills S J, Pedron D, Lanza A, Favaro M, Bianchin S, Lykova I S, Golias V, Birch W D
 
Mineralogical Magazine 77 (2013) 367-383
Manganoblodite, Na2Mn(SO4)2*4H2O, and cobaltoblodite, Na2Co(SO4)2*4H2O: two new
members of the blodite group from the Blue Lizard mine, San Juan County, Utah, USA
Locality: Blue Lizard mine, San Juan County, Utah, USA
_database_code_amcsd 0019855
11.137 8.279 5.5381 90 100.423 90 P2_1/a
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   .36212 .07065  .1298      .0222  .0193  .0222  .0245  .0003  .0022 -.0009
Mn        0      0      0 .44 .01783  .0169  .0177  .0193 -.0012  .0046 -.0010
Mg        0      0      0 .29 .01783  .0169  .0177  .0193 -.0012  .0046 -.0010
Ni        0      0      0 .06 .01783  .0169  .0177  .0193 -.0012  .0046 -.0010
Co        0      0      0 .14 .01783  .0169  .0177  .0193 -.0012  .0046 -.0010
S    .13613 .29031 .37014     .01383  .0128  .0154  .0130 -.0009  .0018  .0004
O1   .26526  .2728  .3466      .0223  .0144  .0238  .0291  .0022  .0048  .0028
O2   .07933  .4193  .2078      .0233  .0187  .0253  .0256  .0030  .0033  .0109
O3    .0713  .1369  .3118      .0227  .0297  .0222  .0166 -.0111  .0054 -.0053
O4    .1319  .3304  .6293      .0223  .0309  .0225  .0143 -.0014  .0062 -.0051
O5   .16225  .0390  .8708      .0196  .0189  .0213  .0199  .0011  .0075  .0006
O6    .0814  .7876  .1799      .0208  .0209  .0193  .0202 -.0014 -.0017  .0010
H5A    .179   .145   .758       .080
H5B    .180  -.050   .747       .080
H6A    .024   .713   .222       .080
H6B    .099   .783   .310       .080
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Cobaltoblodite
 
Kasatkin A V, Nestola F, Plasil J, Marty J, Belakovskiy D I, Agakhanov A A,
Mills S J, Pedron D, Lanza A, Favaro M, Bianchin S, Lykova I S, Golias V, Birch W D
 
Mineralogical Magazine 77 (2013) 367-383
Manganoblodite, Na2Mn(SO4)2*4H2O, and cobaltoblodite, Na2Co(SO4)2*4H2O: two new
members of the blodite group from the Blue Lizard mine, San Juan County, Utah, USA
Locality: Blue Lizard mine, San Juan County, Utah, USA
_database_code_amcsd 0019856
11.147 8.268 5.5396 90 100.517 90 P2_1/a
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   .36203 .07052 .12983      .0235  .0203  .0232  .0264   .0010  .0027  -.0007
Co        0      0      0 .36 .01592  .0152  .0151  .0175 -.00108 .00302 -.00065
Mg        0      0      0 .30 .01592  .0152  .0151  .0175 -.00108 .00302 -.00065
Mn        0      0      0 .17 .01592  .0152  .0151  .0175 -.00108 .00302 -.00065
Ni        0      0      0 .12 .01592  .0152  .0151  .0175 -.00108 .00302 -.00065
S    .13624 .28981 .37043     .01457  .0145  .0148 .01413 -.00074 .00179  .00056
O1   .26554 .27159  .3473      .0237  .0152  .0250  .0313   .0024  .0056   .0028
O2   .07923  .4172  .2079      .0255  .0198  .0269  .0293   .0036  .0032   .0115
O3   .07173 .13550  .3131      .0245  .0303  .0221  .0210  -.0106  .0046  -.0039
O4   .13185 .32970  .6293      .0245  .0341  .0232  .0171  -.0024  .0074  -.0043
O5   .16260  .0382  .8720      .0206  .0216  .0203  .0209   .0003  .0065   .0014
O6   .08181  .7872  .1784      .0219  .0222  .0190  .0222  -.0017 -.0017   .0008
H5A    .164   .114   .794       .080
H5B    .174  -.042   .785       .080
H6A    .039   .731   .232       .080
H6B    .125   .796   .304       .080
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Waylandite
Download hom/waylandite.pdf
Mills S J, Kampf A R, Raudsepp M, Birch W D
 
Mineralogy and Petrology 100 (2010) 249-253
The crystal structure of waylandite from Wheal Remfry, Cornwall, United Kingdom
Locality: Wheal Remfry, Cornwall, United Kingdom
_database_code_amcsd 0019168
7.0059 7.0059 16.3431 90 90 120 R-3m
atom     x      y     z occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Bi       0      0     0 .49 .0696   .089   .089  .0309  .0445      0      0
Sr       0      0     0 .28 .0696   .089   .089  .0309  .0445      0      0
Ca       0      0     0 .23 .0696   .089   .089  .0309  .0445      0      0
Al      .5     .5    .5     .0219   .020   .020   .027   .011 -.0001  .0001
P        0      0 .3089  .9 .0248   .020   .020   .027  .0098      0      0
Si       0      0 .3089  .1 .0248   .020   .020   .027  .0098      0      0
O1       0      0 .4025      .033   .041   .041   .017      0      0   .020
O2   .2130 -.2130 .9436      .023   .021   .021   .026   .010   .003  -.003
O3   .1234 -.1234 .1351      .023   .018   .018   .036   .011   .002  -.002
H     .192  -.192  .117       .02
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Total number of retrieved datasets: 28
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