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Francisite |
 |
Pring A, Gatehouse B M, Birch W D |
 |
American Mineralogist 75 (1990) 1421-1425 |
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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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|   |
|
Bernalite |
 |
Birch W D, Pring A, Reller A, Schmalle H W |
 |
American Mineralogist 78 (1993) 827-834 |
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Bernalite, Fe(OH)3, a new mineral from Broken Hill, New South Wales: Description |
|
and structure |
|
_database_code_amcsd 0001607 |
|
7.544 7.560 7.558 90 90 90 Immm |
|
atom x y z Uiso |
|
Fe .25 .25 .25 .0049 |
|
OH1 .5 .178 .308 .001 |
|
OH2 .195 .190 .5 .001 |
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OH3 .318 .5 .323 .001 |
|
Wat 0 .5 .5 .0064 |
|
|
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|
|   |
|
Bamfordite |
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Birch W D, Pring A, McBriar E M, Gatehouse B M, McCammon C A |
 |
American Mineralogist 83 (1998) 172-177 |
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Bamfordite, a new hydrated iron molybdenum oxyhydroxide from Queensland, |
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Australia: Description and crystal chemistry |
|
_database_code_amcsd 0001962 |
|
5.878 7.536 9.436 71.66 83.43 72.85 P-1 |
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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 |
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Fe1 -.0817 .8948 .4069 .0095 .0091 .0099 -.0027 .0011 -.0014 |
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O1 -.216 .1160 .5005 .006 .008 .013 -.001 -.002 -.004 |
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O2 -.401 .925 .3281 .014 .028 .010 -.009 -.002 -.003 |
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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 |
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O8 -.234 .3275 -.0392 .017 .011 .016 -.004 -.002 -.001 |
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O9 -.017 .091 .2212 .011 .017 .011 -.004 .001 -.002 |
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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 |
| |
American Mineralogist 93 (2008) 691-697 |
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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) |
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U1 .0322 .5094 .1651 .888 .006 .003 .011 .004 .000 .001 -.001 |
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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 |
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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 |
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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 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Kintoreite |
 |
Grey I E, Mumme W G, Mills S J, Birch W D, Wilson N C |
| |
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 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Kintoreite |
 |
Grey I E, Mumme W G, Mills S J, Birch W D, Wilson N C |
| |
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 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Gobbinsite |
 |
Gatta G D, Birch W D, Rotiroti N |
| |
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 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Waterhouseite |
| |
Pring A, Kolitsch U, Birch W D |
 |
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 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
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 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
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 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Natropharmacosiderite |
 |
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 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
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 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Ulrichite |
 |
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 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Plimerite |
 |
Elliot P, Kolitsch U, Giester G, Libowitzky E, McCammon C, Pring A, Birch W D, Brugger J |
| |
Mineralogical Magazine 73 (2009) 131-148 |
|
Description and crystal structure of a new mineral - plimerite, ZnFe3+4(PO4)3(OH)5 - the |
|
Zn-analogue of rockbridgeite and frondelite, from Broken Hill, New South Wales, Australia |
|
Locality: Broken Hill, New South Wales, Australia |
|
_database_code_amcsd 0014590 |
|
13.865 16.798 5.151 90 90 90 Bbmm |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
FeM1 0 .5 0 .0091 .0095 .0074 .0103 0 0 -.0004 |
|
ZnM2 .06888 .65849 0 .58 .0168 .0158 .0086 .0259 0 0 -.0005 |
|
FeM2 .06888 .65849 0 .42 .0168 .0158 .0086 .0259 0 0 -.0005 |
|
FeM3 .32193 .63906 .2323 .94 .0087 .0095 .0068 .0097 .0001 .0014 -.0007 |
|
AlM3 .32193 .63906 .2323 .06 .0087 .0095 .0068 .0097 .0001 .0014 -.0007 |
|
P1 .14325 .54388 .5 .0096 .0091 .0056 .0141 0 0 -.0004 |
|
P2 .48312 .75 0 .0120 .0112 .0072 .0176 0 0 0 |
|
O1 .5464 .75 -.2479 .0201 .020 .0146 .025 0 .0123 0 |
|
O2 .0811 .55837 .2562 .0151 .0146 .0189 .0117 .0004 -.0038 -.0050 |
|
OH3 .3147 .75 .3801 .0144 .019 .008 .016 0 .008 0 |
|
O4 .1813 .4595 .5 .0278 .019 .0082 .056 0 0 .0042 |
|
OH5 .2154 .6745 0 .0198 .0139 .0099 .036 0 0 .0025 |
|
OH6 .0749 .3947 0 .0137 .0131 .0151 .0131 0 0 .0034 |
|
O7 .4211 .6745 0 .0160 .017 .0096 .021 0 0 -.0043 |
|
O8 .2238 .6063 .5 .0126 .0123 .0105 .0150 0 0 -.0020 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
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Plimerite |
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Elliot P, Kolitsch U, Giester G, Libowitzky E, McCammon C, Pring A, Birch W D, Brugger J |
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Mineralogical Magazine 73 (2009) 131-148 |
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Description and crystal structure of a new mineral - plimerite, ZnFe3+4(PO4)3(OH)5 - the |
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Zn-analogue of rockbridgeite and frondelite, from Broken Hill, New South Wales, Australia |
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Locality: Broken Hill, New South Wales, Australia |
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_database_code_amcsd 0014590 |
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13.865 16.798 5.151 90 90 90 Bbmm |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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FeM1 0 .5 0 .0091 .0095 .0074 .0103 0 0 -.0004 |
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ZnM2 .06888 .65849 0 .58 .0168 .0158 .0086 .0259 0 0 -.0005 |
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FeM2 .06888 .65849 0 .42 .0168 .0158 .0086 .0259 0 0 -.0005 |
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FeM3 .32193 .63906 .2323 .94 .0087 .0095 .0068 .0097 .0001 .0014 -.0007 |
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AlM3 .32193 .63906 .2323 .06 .0087 .0095 .0068 .0097 .0001 .0014 -.0007 |
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P1 .14325 .54388 .5 .0096 .0091 .0056 .0141 0 0 -.0004 |
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P2 .48312 .75 0 .0120 .0112 .0072 .0176 0 0 0 |
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O1 .5464 .75 -.2479 .0201 .020 .0146 .025 0 .0123 0 |
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O2 .0811 .55837 .2562 .0151 .0146 .0189 .0117 .0004 -.0038 -.0050 |
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OH3 .3147 .75 .3801 .0144 .019 .008 .016 0 .008 0 |
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O4 .1813 .4595 .5 .0278 .019 .0082 .056 0 0 .0042 |
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OH5 .2154 .6745 0 .0198 .0139 .0099 .036 0 0 .0025 |
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OH6 .0749 .3947 0 .0137 .0131 .0151 .0131 0 0 .0034 |
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O7 .4211 .6745 0 .0160 .017 .0096 .021 0 0 -.0043 |
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O8 .2238 .6063 .5 .0126 .0123 .0105 .0150 0 0 -.0020 |
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Bendadaite |
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Kolitsch U, Atencio D, Chukanov N V, Zubkova N V, Menezes L A D, Coutinho J M V, |
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Birch W D, Schluter J, Pohl D, Kampf A R, Steele I M, Favreau G, Nasdala L, |
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Mockel S, Giester G, Pushcharovsky D Y |
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Mineralogical Magazine 74 (2010) 469-486 |
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Bendadaite, a new iron arsenate mineral of the arthurite group |
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Locality: Almerindo mine, Linopolis, Minas Gerais, Brazil |
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_database_code_amcsd 0015896 |
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10.200 9.718 5.5432 90 94.05 90 P2_1/c |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Fe(1) .0 .0 .0 .948 .01304 .01469 .01264 .01210 -.00285 .00241 -.00171 |
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Fe(2) .45715 .13679 .33999 .931 .00815 .01042 .00689 .00716 .00032 .00074 .00007 |
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Al(2) .45715 .13679 .33999 .040 .00815 .01042 .00689 .00716 .00032 .00074 .00007 |
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As .298182 .426870 .32898 .741 .00792 .00861 .00787 .00738 .00010 .00130 .00012 |
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P .298182 .426870 .32898 .263 .00792 .00861 .00787 .00738 .00010 .00130 .00012 |
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O(1) .39899 .48388 .11976 .0122 .0136 .0117 .0116 -.0013 .0025 -.0014 |
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O(2) .35684 .48686 .59650 .0137 .0166 .0126 .0117 -.0005 -.0010 .0010 |
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O(3) .15115 .48741 .2615 .0179 .0161 .0207 .0170 .0015 .0028 .0016 |
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O(4) .29959 .25662 .32143 .0140 .0160 .0125 .0136 .0026 .0007 -.0004 |
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Oh .54491 .23380 .08027 .0140 .0167 .0130 .0124 .0034 .0033 .0026 |
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Ow(1) .12925 -.09593 .2979 .0241 .0213 .0304 .0205 -.0039 .0002 -.0015 |
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Ow(2) .04589 .18779 .1498 .0298 .0248 .0224 .0420 -.0031 .0008 -.0145 |
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H .586 .176 .999 .039 |
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H11 .208 .915 .262 .057 |
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H12 .128 .941 .456 .056 |
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H21 .118 .211 .226 .061 |
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H22 .992 .247 .181 .057 |
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Whiteite-(CaMnMn) |
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Grey I E, Mumme W G, Neville S M, Wilson N C, Birch W D |
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Mineralogical Magazine 74 (2010) 969-978 |
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Jahnsite - whiteite solid solutions and associated minerals in |
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the phosphate pegmatite at Hagendorf-Sud, Bavaria, Germany |
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Locality: Hagendorf-Sud, Bavaria, Germany |
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_database_code_amcsd 0018316 |
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14.941 6.9495 10.054 90 111.00 90 P2/a |
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atom x y z occ Uiso |
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CaX .25 .9770 0 1.18 .032 |
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MnM1 .25 .4798 0 .0150 |
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FeM2a .5 0 .5 .86 .0203 |
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MgM2a .5 0 .5 .14 .0203 |
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FeM2b .25 .4966 .5 .85 .0188 |
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MgM2b .25 .4966 .5 .15 .0188 |
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AlM3a 0 0 0 .80 .032 |
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FeM3a 0 0 0 .20 .032 |
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AlM3b 0 .5 0 .96 .007 |
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FeM3b 0 .5 0 .04 .007 |
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P1 .1786 .2574 .1859 .0167 |
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P2 .0793 .7489 .8035 .0148 |
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O1 .2707 .2319 .1503 .028 |
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O2 .2007 .2870 .3415 .030 |
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O3 .1178 .0771 .1342 .038 |
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O4 .1315 .4353 .0956 .028 |
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O5 .1879 .7087 .8547 .031 |
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O6 .0420 .7766 .6450 .021 |
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O7 .0681 .9307 .8809 .028 |
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O8 .0282 .5867 .8407 .025 |
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OH9 .0222 .7506 .0792 .015 |
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Wat10 .2255 .7314 .3413 .040 |
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Wat11 .4532 .2157 .3393 .036 |
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Wat12 .6364 .9984 .4769 .036 |
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Wat13 .3955 .5121 .5074 .034 |
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Nordgauite |
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Birch W D, Grey I E, Mills S J, Pring A, Bougerol C, Ribabldi-Tunnicliffe A, |
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Wilson N C, Keck E |
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Mineralogical Magazine 75 (2011) 269-278 |
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Nordgauite, MnAl2(PO4)2(F,OH)2*5H2O, a new mineral from the Hagendorf-Sud |
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pegmatite, Bavaria, Germany: description and crystal structure |
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Locality: the Hagendorf-Sud pegmatite, Bavaria, Germany |
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_database_code_amcsd 0018376 |
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9.887 9.796 6.054 92.70 99.83 97.10 P-1 |
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atom x y z occ Uiso |
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Mn .5912 .4114 .3502 .87 .017 |
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Ca .5912 .4114 .3502 .07 .017 |
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Fe .5912 .4114 .3502 .04 .017 |
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Zn .5912 .4114 .3502 .01 .017 |
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Mg .5912 .4114 .3502 .01 .017 |
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P(1) .8916 .7300 .7074 .013 |
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P(2) .6689 .4390 .9183 .014 |
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Al(1) 0 .5 0 .011 |
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Al(2) 0 0 .5 .013 |
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Al(3) .7963 .7182 .1841 .012 |
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O(1) .7961 .6899 .4824 .016 |
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O(2) .7981 .7456 .8815 .014 |
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O(3) .9847 .8665 .6996 .016 |
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O(4) .9892 .6220 .7707 .015 |
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O(5) .8152 .4215 .8860 .016 |
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O(6) .6007 .3091 .0098 .019 |
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O(7) .5843 .4725 .6950 .017 |
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O(8) .6722 .5539 .1068 .015 |
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F(1) .9084 .8831 .2610 .020 |
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F(2) .9466 .6235 .1914 .016 |
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Ow1 .8239 .0576 .5524 .021 |
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Ow2 .6402 .8210 .1723 .018 |
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Ow3 .4573 .2194 .3759 .024 |
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Ow4 .7906 .3354 .4509 .020 |
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Ow5 .7476 .0746 .9839 .030 |
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H(11) .8100 .1390 .5140 .041 |
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H(12) .8050 .0490 .6520 .060 |
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H(21) .6560 .8950 .1310 .042 |
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H(22) .5690 .7820 .1130 .025 |
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H(31) .4420 .2000 .5120 .031 |
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H(32) .3750 .2270 .2880 .070 |
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H(41) .8520 .3490 .3580 .037 |
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H(42) .8170 .3580 .5770 .049 |
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H(51) .8380 .0890 10560 .047 |
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H(52) .7240 .1590 .9950 .090 |
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Iangreyite |
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Mills S J, Kampf A R, Sejkora J, Adams P M, Birch W D, Plasil J |
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Mineralogical Magazine 75 (2011) 327-336 |
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Iangreyite: a new secondary phosphate mineral closely related to perhamite |
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Locality: Silver Coin mine, Nevada, USA |
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_database_code_amcsd 0018377 |
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6.988 6.988 16.707 90 90 120 P321 |
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atom x y z occ |
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Ca1 0 0 0 |
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Ca2 2/3 1/3 .316 .5 |
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Al1 .166 1/3 .835 |
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Al2 0 0 .5 |
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P1 2/3 1/3 .020 |
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P2 0 0 .295 |
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O1 .429 .214 .052 |
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O2 .240 .120 .268 |
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O3 0 0 .389 |
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OH1 1/3 2/3 .070 |
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OH2 .253 0 .5 |
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OH3 .126 .252 .131 |
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OH4 .914 .457 .192 |
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Wat1 1/3 2/3 .250 |
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Wat2 .030 .515 .402 |
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Kapundaite |
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Mills S J, Birch W D, Kampf A R, Christy A G, Pluth J J, Pring A, |
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Raudsepp M, Chen Y S |
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American Mineralogist 95 (2010) 754-760 |
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Kapundaite, (Na,Ca)2Fe3+4(PO4)4(OH)3·5H2O, a new phosphate species from |
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Toms quarry, South Australia: Description and structural |
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relationship to melonjosephite |
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Locality: Toms quarry, South Australia |
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_database_code_amcsd 0018799 |
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6.317 7.698 9.768 105.53 99.24 90.09 P-1 |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Na .439 .7184 .4298 .67 .056 .12 .016 .028 .004 .009 .008 |
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Ca .439 .7184 .4298 .33 .056 .12 .016 .028 .004 .009 .008 |
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Fe1 .5 0 0 .013 .02 .018 .004 -.009 .002 .003 |
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Fe2 0 0 0 .017 .03 .017 .003 .003 .002 .004 |
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Fe3 .7976 .6972 .1730 .024 .02 .016 .033 -.003 .010 .003 |
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P1 .177 .8785 .7118 .015 .01 .013 .026 .005 .009 .005 |
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P2 .278 .6868 .1002 .021 .02 .012 .033 .002 .006 .010 |
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O1 .832 .940 .323 .021 .02 .020 .024 -.010 -.003 .008 |
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O2 .157 .723 .572 .023 .03 .015 .028 .001 .014 -.001 |
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O3 .011 .143 .204 .034 .06 .019 .029 .002 .018 .007 |
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O4 .414 .861 .802 .046 .09 .019 .026 -.025 -.007 .004 |
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O5 .482 .686 .191 .019 |
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O6 .114 .683 .195 .020 |
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O7 .771 .463 .038 .024 |
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O8 .262 .871 .059 .017 .01 .018 .031 .002 .009 .012 |
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OH .242 .165 .976 .027 .03 .029 .027 -.013 -.003 .013 |
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Wat1 .831 .611 .372 .035 .07 .024 .023 .002 .007 .019 |
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Wat2 .351 .394 .349 .05 .08 .044 .036 -.02 .005 .004 |
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Wat3 .669 .979 .584 .06 .11 .011 .054 .02 .005 .013 |
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Metanatroautunite |
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Mills S J, Kampf A R, Birch W D |
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American Mineralogist 97 (2012) 735-738 |
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The crystal structure of metanatroautunite, Na[(UO2)(PO4)](H2O)3, |
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from the Lake Boga Granite, Victoria, Australia |
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Note: z-coordinate of U changed from .40959 to match reported bond lengths |
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Locality: Lake Boga Granite, Victoria, Australia |
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_database_code_amcsd 0018862 |
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6.9935 6.9935 17.5101 90 90 90 *P4/ncc |
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.25 -.25 0 |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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U .25 .25 .04959 .0197 .0145 .0145 .0300 0 0 0 |
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P .75 .25 0 .0187 .0092 .0092 .0377 0 0 0 |
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O1 .25 .25 .1508 .034 .031 .031 .040 0 0 0 |
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O2 .25 .25 .9468 .033 .030 .030 .037 0 0 0 |
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O3 .7191 .0760 .4478 .0344 .043 .012 .047 -.003 -.003 -.000 |
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Na4 .173 .988 .3110 .25 .143 |
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Wat4 .173 .988 .3110 .75 .143 |
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