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Olmsteadite |
 |
Moore P B, Araki T, Kampf A R, Steele I M |
 |
American Mineralogist 61 (1976) 5-11 |
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Olmstaedite, K2Fe2[Fe2(Nb,Ta)2O4(H2O)4(PO4)4], a new species, its crystal |
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structure and relation to vauxite and montgomeryite |
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_database_code_amcsd 0000485 |
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7.512 10.000 6.492 90 90 90 Pb2_1m |
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atom x y z occ Biso |
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Nb .27254 .73837 0 .59 .44 |
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Ta .27254 .73837 0 .41 .44 |
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Fe .02061 0 .24183 .77 |
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K .53021 .97416 .5 2.56 |
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P1 .1832 .7412 .5 .61 |
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P2 .3253 .4149 0 .55 |
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O1 .0823 .8729 .5 .87 |
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O2 .0631 .6192 .5 1.79 |
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O3 .3059 .7376 .3090 1.23 |
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O4 .4180 .5547 0 .87 |
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O5 .4723 .3067 0 1.04 |
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O6 .2138 .3978 .1976 .91 |
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O7 .1575 .8999 0 1.16 |
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O8 .0735 .6317 0 1.34 |
|
Wat .2524 .1117 .2720 2.52 |
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Gainesite |
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Moore P B, Araki T, Steele I M, Swihart G H, Kampf A R |
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American Mineralogist 68 (1983) 1022-1028 |
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Gainesite, sodium zirconium beryllophosphate: A new mineral and its crystal |
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structure |
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_database_code_amcsd 0000922 |
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6.567 6.567 17.119 90 90 90 *I4_1/amd |
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0 -.25 .125 |
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atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Na1 0 .0352 .0352 .135 0.0198 0.0344 0.0021 0 0 0.0067 |
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Na2 0 .6654 .0398 .104 0.0144 0.0585 0.0027 0 0 0.0058 |
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Zr 0 .25 .375 0.0036 0.0036 0.0007 0 0 0 |
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Be 0 .75 .125 .5 0.0154 0.0154 0.0019 0 0 0 |
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P 0 .1760 .1742 .5 0.0035 0.0053 0.0007 0 0 -.0002 |
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O1 0 .25 .2551 0.0107 0.0107 0.0010 0 0 0 |
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O2 0 .5645 .3781 0.0109 0.0037 0.0012 0 0 -.0003 |
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O3 0 .5540 .1826 .5 0.0125 0.0057 0.0016 0 0 0.0002 |
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Yoshiokaite |
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Steele I M, Pluth J J |
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American Mineralogist 75 (1990) 1186-1191 |
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Crystal structure of synthetic yoshiokaite, a stuffed derivative of the |
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tridymite structure |
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_database_code_amcsd 0001330 |
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9.927 9.927 8.220 90 90 120 P-3 |
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atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Si1 .67620 .75715 -.06751 .331 0.0079 0.0087 0.0108 0.0048 0.0002 -.0009 |
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Al1 .67620 .75715 -.06751 .669 0.0079 0.0087 0.0108 0.0048 0.0002 -.0009 |
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Si2 .75703 .67636 .56732 .331 0.0086 0.0079 0.0111 0.0046 0.0010 -.0002 |
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Al2 .75703 .67636 .56732 .669 0.0086 0.0079 0.0111 0.0046 0.0010 -.0002 |
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Si3 1/3 2/3 .9618 .166 0.0072 0.0072 0.027 0.0036 0 0 |
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Al3 1/3 2/3 .9618 .334 0.0072 0.0072 0.027 0.0036 0 0 |
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Si3' 1/3 2/3 .0421 .166 0.0054 0.0054 0.0070 0.0027 0 0 |
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Al3' 1/3 2/3 .0421 .334 0.0054 0.0054 0.0070 0.0027 0 0 |
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Si4 1/3 2/3 .5407 .166 0.0046 0.0046 0.0083 0.0023 0 0 |
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Al4 1/3 2/3 .5407 .334 0.0046 0.0046 0.0083 0.0023 0 0 |
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Si4' 1/3 2/3 .4606 .166 0.0085 0.0085 0.025 .00425 0 0 |
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Al4' 1/3 2/3 .4606 .334 0.0085 0.0085 0.025 .00425 0 0 |
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O1 .2816 .0567 .0762 0.0189 0.0161 0.0147 0.0092 0.0014 -.0002 |
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O2 .0556 .2814 .4241 0.0164 0.0181 0.0150 0.0090 -.0015 -.0019 |
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O3 .5134 .3560 .0028 0.0129 0.0153 0.060 0.0075 0.0088 0.0099 |
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O4 .3556 .5132 .4957 0.0160 0.0129 0.062 0.0074 -.0111 -.0116 |
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O5 .6827 .0004 .2508 0.0193 0.0200 0.0174 0.0104 -.0003 0.0013 |
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O6 1/3 2/3 .2501 .5 0.042 0.042 0.020 0.021 0 0 |
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O6' 2/3 1/3 .2573 .5 0.047 0.047 0.021 0.0235 0 0 |
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Ca .44328 .00004 .25008 .892 0.0192 0.0425 0.0151 0.0214 -.0023 -.0043 |
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Beusite |
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Steele I M, Olsen E, Pluth J J, Davis A M |
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American Mineralogist 76 (1991) 1985-1989 |
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Occurrence and crystal structure of Ca-free beusite in the El Sampal IIIA iron |
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meteorite |
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_database_code_amcsd 0001437 |
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8.757 11.381 6.136 90 99.09 90 P2_1/c |
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atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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P1 .0911 .1372 .3932 0.0127 0.0113 0.0085 -.0006 0.0012 0.0003 |
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P2 .6065 .0878 .8070 0.0134 0.0134 0.0074 0.0001 0.0021 0.0002 |
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Mn1 .9457 .1165 .8441 .5 0.0215 0.0141 0.0208 0.0000 -.0019 -.0019 |
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Fe1 .9457 .1165 .8441 .5 0.0215 0.0141 0.0208 0.0000 -.0019 -.0019 |
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Mn2 .7218 .0799 .3297 .5 0.0206 0.0259 0.0057 0.0069 0.0018 0.0001 |
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Fe2 .7218 .0799 .3297 .5 0.0206 0.0259 0.0057 0.0069 0.0018 0.0001 |
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Mn3 .3639 .1918 .1260 .5 0.0173 0.0143 0.0100 0.0021 0.0009 0.0003 |
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Fe3 .3639 .1918 .1260 .5 0.0173 0.0143 0.0100 0.0021 0.0009 0.0003 |
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O1 .0760 .0675 .1766 0.018 0.015 0.010 0.003 0.001 -.002 |
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O2 .4818 .1783 .8303 0.018 0.018 0.013 0.006 0.002 0.002 |
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O3 .9402 .2031 .4067 0.017 0.015 0.018 0.003 0.004 -0.001 |
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O4 .7001 .1250 .6281 0.015 0.019 0.011 -0.003 0.004 0.002 |
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O5 .2204 .2268 .3791 0.018 0.025 0.014 -0.009 0.003 -0.002 |
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O6 .7276 .0844 .0159 0.007 0.021 0.012 0.001 0.001 0.000 |
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O7 .1299 .0627 .6004 0.021 0.016 0.011 -0.002 -0.002 0.004 |
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O8 .5335 -.0343 .7588 0.018 0.012 0.015 -0.003 0.002 -0.001 |
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|
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| |
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Quetzalcoatlite |
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Burns P C, Pluth J J, Smith J V, Eng P, Steele I M, Housley R M |
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American Mineralogist 85 (2000) 604-607 |
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Quetzalcoatlite: New octahedral-tetrahedral structure from 2x2x40 micron |
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crystal at the Advanced Photon Source-GSE-CARS Facility |
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_database_code_amcsd 0002428 |
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10.145 10.145 4.9925 90 90 120 P-31m |
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atom x y z occ Uiso |
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Te 1/3 2/3 1/2 .0095 |
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Zn .20371 .4074 0 .0140 |
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Cu 1/2 0 1/2 .0180 |
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O .3508 .5190 .2850 .0143 |
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OH 0 .2772 .158 .0290 |
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Ag 0 0 0 .24 .0594 |
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Pb 0 0 0 .30 .0594 |
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Cl 0 0 1/2 .84 .0211 |
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| |
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Phosphohedyphane |
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Kampf A R, Steele I M, Jenkins R A |
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American Mineralogist 91 (2006) 1909-1917 |
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Phosphohedyphane, Ca2Pb3(PO4)3Cl, the phosphate analogue of hedyphane: |
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Description and crystal structure |
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Locality: Capitana mine, Copiapo, Atacama Province, Chile |
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_database_code_amcsd 0004255 |
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9.857 9.857 7.130 90 90 120 P6_3/m |
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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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Ca1 1/3 2/3 .0068 .919 .014 .014 .014 .015 .007 0 0 |
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Pb1 1/3 2/3 .0068 .081 .014 .014 .014 .015 .007 0 0 |
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Pb2 .2574 .0083 .25 .015 .010 .013 .020 .005 0 0 |
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P .4192 .3868 .25 .907 .010 .008 .007 .014 .004 0 0 |
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As .4192 .3868 .25 .093 .010 .008 .007 .014 .004 0 0 |
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O1 .3677 .5099 .25 .016 .015 .012 .025 .010 0 0 |
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O2 .6029 .4681 .25 .017 .005 .007 .038 .002 0 0 |
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O3 .3640 .2801 .0761 .026 .037 .025 .025 .022 -.020 -.013 |
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Cl 0 0 0 .017 .015 .015 .019 .008 0 0 |
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|
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Jahnsite-(NaFeMg) |
| |
Kampf A R, Steele I M, Loomis T A |
| |
American Mineralogist 93 (2008) 940-945 |
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Jahnsite-(NaFeMg), a new mineral from the Tip Top mine, Custer County, |
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South Dakota: Description and crystal structure |
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Locality: Tip Top mine, Custer County, South Dakota |
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_database_code_amcsd 0004587 |
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15.0811 7.1403 9.8299 90 110.445 90 P2/a |
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atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Na 1/4 .9701 0 .0203 .0204 .0136 .0204 0 -.0012 0 |
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Fe1 1/4 .4713 0 .0083 .0067 .0096 .0088 0 .0031 0 |
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Mg1 1/2 0 1/2 .0125 .0131 .0116 .0116 -.0004 .0027 -.0024 |
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Mg2 1/4 .5057 1/2 .0111 .0124 .0120 .0088 0 .0034 0 |
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Fe2 0 0 0 .0084 .0095 .0062 .0098 -.0000 .0037 -.0006 |
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Fe3 0 1/2 0 .0085 .0080 .0072 .0104 .0001 .0036 .0007 |
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P1 .1870 .2677 .1856 .0089 .0082 .0094 .0085 -.0003 .0023 -.0009 |
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P2 .0800 .7419 .7963 .0093 .0089 .0100 .0091 .0012 .0034 .0007 |
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O1 .2789 .2510 .1489 .0157 .009 .021 .018 .005 .005 .004 |
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O2 .2082 .3103 .3435 .0187 .023 .020 .014 .001 .007 -.001 |
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O3 .1264 .0929 .1411 .0176 .016 .013 .019 -.005 .000 -.001 |
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O4 .1405 .4378 .0810 .0120 .009 .014 .013 .001 .004 .003 |
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O5 .1837 .6682 .8599 .0165 .010 .022 .017 .004 .004 .004 |
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O6 .0574 .7822 .6364 .0149 .020 .013 .011 .001 .005 .003 |
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O7 .0750 .9217 .8777 .0166 .021 .014 .019 -.002 .012 -.003 |
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O8 .0126 .5928 .8173 .0133 .013 .012 .015 -.001 .006 .002 |
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Oh .0274 .7509 .0992 .0140 .017 .010 .017 .001 .008 -.002 |
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OW1 .2272 .7264 .3420 .0270 .033 .027 .025 .010 .015 .006 |
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OW2 .4484 .2126 .3482 .0298 .034 .022 .020 -.003 -.006 .003 |
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OW3 .6269 .9869 .4565 .0285 .024 .026 .039 -.001 .016 -.005 |
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OW4 .3907 .5152 .5161 .0211 .017 .022 .024 -.002 .007 .006 |
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HOh .996 .749 .162 .050 |
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H1a .258 .717 .278 .05 |
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H1b .167 .748 .293 .050 |
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H2a .434 .298 .405 .050 |
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H2b .395 .201 .269 .05 |
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H3a .618 .046 .371 .05 |
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H3b .659 .884 .452 .050 |
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H4a .416 .605 .478 .050 |
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H4b .425 .491 .606 .050 |
|
|
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Magnesiopascoite |
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Kampf A R, Steele I M |
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The Canadian Mineralogist 46 (2008) 679-686 |
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Magnesiopascoite, a new member of the pascoite group: description and crystal structure |
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Locality: Blue Cap mine, San Juan County, Utah, USA |
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_database_code_amcsd 0006192 |
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19.8442 9.9353 10.7149 90 120.305 90 C2/m |
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atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Ca .76667 .5 .91341 .0214 .0218 .0209 .0262 0 .0157 0 |
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Mg 0 .5 .5 .0198 .0304 .0135 .0182 0 .0142 0 |
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V1 .5 .33296 0 .0154 .0169 .0131 .0195 0 .0116 0 |
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V2 .54298 .5 .79713 .0164 .0159 .0200 .0165 0 .0106 0 |
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V3 .65679 .5 .12750 .0166 .0142 .0210 .0168 0 .0095 0 |
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V4 .38560 .34654 .67065 .0220 .0208 .0277 .0193 -.0049 .0114 -.0077 |
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O1 .7265 .5 .0902 .0233 .0189 .0305 .0248 0 .0142 0 |
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O2 .5499 .5 .1432 .0159 .0159 .0169 .0164 0 .0094 0 |
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O3 .4160 .3755 .0321 .0159 .0171 .0156 .0187 -.0006 .0117 .0004 |
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O4 .4498 .2316 .8553 .0214 .0249 .0177 .0254 -.0029 .0155 -.0033 |
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O5 .6195 .5 .7799 .0236 .0216 .0293 .0260 0 .0166 0 |
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O6 .4828 .3650 .6821 .0209 .0218 .0245 .0205 -.0026 .0138 -.0052 |
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O7 .6821 .6352 .2560 .0210 .0181 .0254 .0215 -.0046 .0115 -.0045 |
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O8 .3495 .5 .5634 .0242 .0200 .0353 .0181 0 .0101 0 |
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O9 .3470 .2276 .5550 .0327 .0299 .0385 .0299 -.0089 .0152 -.0162 |
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O10 .8799 .5 .4285 .0415 .0388 .0368 .0476 0 .0209 0 |
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O11 .9785 .5 .2880 .0423 .0569 .0444 .0251 0 .0202 0 |
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O12 .7190 .6838 .7473 .0433 .0371 .0465 .0366 -.0133 .0115 .0135 |
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O13 0 .7037 .5 .0462 .0978 .0178 .0595 0 .0667 0 |
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O14 .8423 .6719 .0825 .0361 .0496 .0300 .0425 -.0164 .0331 -.0090 |
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O15 .8765 .5 .8831 .0570 .0666 .0248 .1224 0 .0795 0 |
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H10 .870 .566 .468 .1173 |
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H11 .966 .568 .239 .1169 |
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H12a .748 .746 .739 .0995 |
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H12b .713 .627 .683 .0659 |
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H13 .001 .751 .441 .0660 |
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H14a .826 .700 .134 .0463 |
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H14b .866 .729 .063 .0542 |
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H15 .896 .564 .868 .0637 |
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|
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Martyite |
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Kampf A R, Steele I M |
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The Canadian Mineralogist 46 (2008) 687-692 |
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Martyite, a new mineral species related to volborthite: Description and crystal structure |
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Locality: Blue Cap mine, San Juan County, Utah |
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_database_code_amcsd 0006193 |
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6.0818 6.0818 7.1793 90 90 120 P-3m1 |
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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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Zn .5 0 .5 .88 .0185 .0157 -.0113 .0270 .0056 .0025 .0050 |
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Co .5 0 .5 .05 .0185 .0157 .0113 .0270 .0056 .0025 .0050 |
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V 0 0 .24954 .0101 .0102 .0102 .0100 .0051 0 0 |
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O1 .1568 -.1568 .3267 .0225 .0205 .0205 .0225 .0072 -.0016 .0016 |
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O2 0 0 0 .0306 .0348 .0348 .0223 .0174 0 0 |
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Oh 2/3 1/3 .3753 .0152 .0137 .0137 .0182 .0068 0 0 |
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Ow 2/3 1/3 .0013 .0789 .1011 .1011 .0346 .0506 0 0 |
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Hw .830 .415 -0.029 2/3 .0500 |
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H-OH 2/3 1/3 .247 .0500 |
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|
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Devitoite |
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Kampf A R, Rossman G R, Steele I M, Pluth J J, Dunning G E, Walstrom R E |
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The Canadian Mineralogist 48 (2010) 29-40 |
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Devitoite, a new heterophyllosilicate mineral with |
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astrophyllite-like layers from eastern Fresno County, California |
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Locality: Big Creek, eastern Fresno County, California |
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_database_code_amcsd 0006313 |
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5.3437 11.6726 14.680 91.337 96.757 103.233 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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Ba1 .5189 .9434 .6446 .044 .054 .033 .042 .006 .005 .003 |
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Ba2 .1665 .2687 .5972 .035 .027 .040 .040 .008 .005 .003 |
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Ba3 .8216 .5529 .6413 .046 .055 .025 .057 .003 .007 .009 |
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P .342 .661 .532 .029 .04 .01 .04 -.00 .01 -.00 |
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O16 .171 .732 .569 .044 .04 .05 .05 .01 .01 .01 |
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O17 .680 .331 .572 .058 .06 .07 .04 .02 .00 .02 |
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O18 .606 .733 .569 .041 .02 .06 .04 -.01 .00 .00 |
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O19 .286 .534 .558 .072 .02 .10 .10 .02 .01 -.04 |
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C 0 0 .5 .06 .03 .09 .05 .02 -.01 .04 |
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O20 .232 .043 .541 .5 .034 .03 .03 .04 .04 -.05 -.05 |
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O21 .040 .034 .586 .5 .005 .00 .02 .00 .03 -.01 -.02 |
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O22 .829 .037 .535 .5 .07 .05 .11 .09 .09 .05 .02 |
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Fe1 .1312 .2840 .9829 .029 .025 .021 .040 .005 .006 .007 |
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Fe2 .7104 .4271 .9921 .029 .019 .025 .045 .007 .010 .006 |
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Fe3 .5655 .1425 .9868 .031 .025 .027 .039 .003 .006 .003 |
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Fe4 0 0 0 .033 .031 .025 .043 .008 .003 .002 |
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Fe5 .7271 .2704 .7875 .030 .026 .021 .040 .000 .005 -.003 |
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Si1 .148 .1049 .7981 .022 .027 .005 .033 .003 .001 .005 |
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Si2 .031 .8378 .8225 .028 .023 .013 .046 .000 .007 -.004 |
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Si3 .469 .7085 .8264 .022 .019 .013 .033 .001 .006 .004 |
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Si4 .319 .4395 .8060 .024 .015 .023 .034 .002 .008 .009 |
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O1 .200 .132 .910 .034 .04 .01 .06 .01 .00 .02 |
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O2 .775 .278 .913 .027 .00 .01 .06 -.01 .00 .00 |
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O3 .068 .850 .932 .016 .01 .01 .02 -.01 .00 -.01 |
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OH4 .363 .015 .072 .040 .02 .04 .06 .01 .01 -.00 |
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OH5 .074 .426 .070 .030 .03 .02 .04 -.01 .02 -.01 |
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O6 .492 .288 .062 .026 .02 .01 .05 -.00 .01 .01 |
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O7 .349 .432 .917 .036 .00 .06 .05 .00 .01 -.01 |
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O8 .738 .766 .785 .061 .02 .11 .03 -.03 .01 -.02 |
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O9 .025 .387 .755 .057 .00 .12 .03 -.01 -.00 .02 |
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O10 .238 .774 .786 .058 .08 .10 .02 .08 .01 .01 |
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O11 .911 .148 .751 .070 .05 .14 .03 .06 -.01 -.01 |
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O12 .515 .385 .760 .047 .05 .06 .05 .05 .02 -.01 |
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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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|
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Susannite |
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Steele I M, Pluth J J, Livingstone A |
| |
European Journal of Mineralogy 11 (1999) 493-499 |
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Crystal structure of susannite, Pb4SO4(CO3)2(OH)2: |
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a trimorph with macphersonite and leadhillite |
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Locality: Leadhills, Scotland |
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_database_code_amcsd 0006779 |
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9.0718 9.0718 11.570 90 90 120 P3 |
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atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Pb1 .6677 -.0113 .0178 .0164 .0178 .0156 .0164 .0088 -.0002 -.0012 |
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Pb2 .3465 .0123 .8136 .0163 .0164 .0164 .0141 .0067 .0002 .0000 |
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Pb3 .6713 .9454 .5892 .0499 .093 .0496 .0274 .0507 .0020 .0135 |
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Pb4 .6612 .6117 .2382 .0583 .137 .0433 .0205 .064 -.0013 -.0000 |
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S1 2/3 1/3 .430 .034 .047 .047 .007 .024 0 0 |
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S2 1/3 2/3 .412 .030 .036 .036 .019 .018 0 0 |
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S3 0 0 .411 .032 .037 .037 .021 .018 0 0 |
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OH1 .665 .052 .205 .024 |
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OH2 .309 -.018 .619 .047 |
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O3 .857 -.142 .060 .013 |
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O4 .478 -.328 .060 .017 |
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O5 .664 .474 .043 .011 |
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O6 .477 -.192 .773 .023 |
|
O7 -.002 -.144 .775 .024 |
|
O8 .525 .336 .756 .031 |
|
O9 2/3 1/3 .304 .04 |
|
O10 .835 .382 .467 .13 |
|
O11 1/3 2/3 .535 .09 |
|
O12 .505 .767 .371 .14 |
|
O13 0 0 .533 .06 |
|
O14 .169 .11 .369 .21 |
|
C1 0 0 .073 .013 |
|
C2 1/3 -1/3 .070 .017 |
|
C3 2/3 1/3 .047 .011 |
|
C4 1/3 -1/3 .777 .023 |
|
C5 0 0 .781 .024 |
|
C6 2/3 1/3 .760 .031 |
|
|
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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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|
| |
|
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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|
| |
|
Sakhaite |
|
Yakubovich O V, Steele I M, Gavrilenko P G, Urusov V S |
| |
Crystallography Reports 50 (2005) 226-234 |
|
Crystal structure of sakhaite from the Solongo deposit in connection with |
|
the crystal chemical interpretation of the sakhaite-harkerite mineral series |
|
Locality: Solongo deposit, Vitim Plateau, Buryatia, Zabaykalye, Russia |
|
_database_code_amcsd 0012390 |
|
14.679 14.679 14.679 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Uiso |
|
Mg 0 .5 0 .8246 .0088 |
|
Fe 0 .5 0 .1754 .0088 |
|
Ca .125 .37706 .125 .0249 |
|
C .25 .25 0 .062 |
|
B -.0351 .2851 -.0351 .8774 .012 |
|
Si -.0117 .2617 -.0117 .1226 .012 |
|
Al .375 .375 -.125 .120 .06 |
|
O1 .0059 .3603 .0059 .88 .0222 |
|
O1' -.005 .370 -.005 .12 .0222 |
|
O2 .2296 .3330 .0204 .5 .064 |
|
O3 .442 .308 -.058 .120 .06 |
|
Wat4 .350 .400 -.150 .102 .13 |
|
Clhcl .350 .400 -.150 .102 .13 |
|
|
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|
| |
|
Saleeite |
|
Yakubovich O V, Steele I M, Atencio D, Menezes L A, Chukanov N V |
| |
Crystallography Reports 53 (2008) 764-770 |
|
Crystal structure of the (Mg,Fe)[UO2(P,As)O4]2*10H2O solid solution- |
|
a novel mineral variety of saleeite |
|
Locality: Eduardo Mine, Galileia County, Minas Gerais, Brazil |
|
_database_code_amcsd 0012411 |
|
6.952 19.865 6.969 90 90.806 90 P2_1/n |
|
atom x y z occ Uiso |
|
MgMg 0 .5 0 .810 .0123 |
|
FeMg 0 .5 0 .190 .0123 |
|
O1 .5057 .2029 .3410 .0131 |
|
O2 .5224 .2962 .0117 .0112 |
|
O3 .6069 .1999 .6932 .0136 |
|
O4 .5576 .1173 .0202 .0124 |
|
O5 .2236 .2012 .9749 .0130 |
|
O6 .8747 .2070 .0740 .0136 |
|
O7 .9031 .4964 .2733 .0161 |
|
O8 .7697 .5683 .9272 .0149 |
|
O9 .1704 .5808 .0676 .0163 |
|
O10 .5651 .4298 .3613 .0207 |
|
O11 .5255 .5854 .2373 .0163 |
|
Hl .708 .570 .031 .014 |
|
H2 .785 .609 .898 .014 |
|
H3 .620 .392 .373 .05 |
|
H4 .91 .525 .363 .08 |
|
H5 .111 .618 .070 .04 |
|
H6 .532 .415 .251 .05 |
|
H7 .264 .571 .142 .04 |
|
H8 .53 .561 .338 .14 |
|
H9 .57 .622 .29 .14 |
|
Hl0 .789 .481 .27 .08 |
|
U .54987 .20666 .01584 .00964 |
|
PP .05400 .25117 .02067 .670 .0087 |
|
AsP .05400 .25117 .02067 .330 .0087 |
|
|
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|
| |
|
Pezzottaite |
| |
Yakubivich O V, Pekov I V, Steele I M, Massa W, Chukanov N V |
| |
Crystallography Reports 54 (2009) 399-412 |
|
Alkali metals in beryl and their role in the formation of derivative structural motifs: |
|
Comparative crystal chemistry of vorobyevite and pezzottaite |
|
Locality: Sakavalana granitic pegmatite, Antsirabe, Fianarantsoa Province, Madagascar |
|
Note: T = 100 K |
|
_database_code_amcsd 0012413 |
|
15.955 15.955 27.810 90 90 120 R-3c |
|
atom x y z occ Uiso |
|
Cs1 0 0 .08211 .725 .0109 |
|
Cs2 0 0 .25 .799 .0147 |
|
Na1 0 0 0 .275 .016 |
|
Na2 0 0 .1642 .201 .054 |
|
Al1 2/3 .00060 1/12 .0051 |
|
Al2 -.00537 1/3 1/12 .0048 |
|
Be .3379 .1704 .08405 .0092 |
|
Li .5029 .5029 .75 |
|
Si1 .04514 .21958 -.00087 .0047 |
|
Si2 .21996 .05024 .16537 .0043 |
|
Si3 .04988 -.17024 .16640 .0043 |
|
O1 .2763 .0641 .21529 .0093 |
|
O2 .0700 .2807 -.05057 .0094 |
|
O3 .0606 -.2284 .12294 .0132 |
|
O4 .2888 .0738 .11915 .0088 |
|
O5 .0522 .2824 .04492 .0127 |
|
O6 .0680 -.2048 .21771 .0097 |
|
O7 -.0587 .1201 -.00490 .0104 |
|
O8 -.0534 -.1736 .16590 .0093 |
|
O9 .1265 -.0561 .16022 .0112 |
|
Wat10 -.038 -.038 .25 .071 .10 |
|
Wat11 .026 .003 .084 .107 .099 |
|
|
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|
| |
|
Beryl |
|
Yakubivich O V, Pekov I V, Steele I M, Massa W, Chukanov N V |
| |
Crystallography Reports 54 (2009) 399-412 |
|
Alkali metals in beryl and their role in the formation of derivative structural motifs: |
|
Comparative crystal chemistry of vorobyevite and pezzottaite |
|
Locality: Lipovka pegmatite field, Rezh District, Central Urals, Urals Region, Russia |
|
Note: T = 100 K |
|
Note: variety vorobyevite |
|
Note: Coordinates of O1 and O2 corrected by Yakubivich |
|
_database_code_amcsd 0012414 |
|
9.2101 9.2101 9.2179 90 90 120 P6/mcc |
|
atom x y z occ Uiso |
|
Cs 0 0 .25 .079 .0322 |
|
Wat 0 0 .25 .19 .0322 |
|
Na1 0 0 0 .155 .014 |
|
Na2 .204 .159 .231 .010 .046 |
|
Na3 .095 .118 .201 .012 .046 |
|
Li .5 0 .25 .22 .0090 |
|
Be .5 0 .25 .78 .0090 |
|
Al 2/3 1/3 .25 .0082 |
|
Si .38846 .11726 0 .0083 |
|
O1 .49888 .14661 .14500 .0107 |
|
O2 .23580 -.07170 0 .0121 |
|
|
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|
| |
|
Vyuntspakhkite-(Y) |
|
Yakbovich O V, Steele I M |
| |
Crystallography Reports 54 (2009) 822-830 |
|
The crystal structure of vyuntspakhite: a redetermination |
|
Locality: Kola Peninsula, Russia |
|
_database_code_amcsd 0012421 |
|
5.7551 14.752 15.906 90 96.046 90 P2_1/n |
|
atom x y z occ Uiso |
|
Y1 .15508 .82411 .54144 .734 .00450 |
|
Tm1Y1 .15508 .82411 .54144 .266 .00450 |
|
Y2 .33423 .68127 .36474 .688 .00499 |
|
Tm2Y2 .33423 .68127 .36474 .362 .00499 |
|
Y3 -.01803 .66549 .70079 .693 .00505 |
|
Tm3Y3 -.01803 .66549 .70079 .307 .00505 |
|
Al1 .3264 .06122 .45229 .0072 |
|
Al2 .8365 .56203 .36481 .0078 |
|
Si1 .4895 .82291 .70206 .0074 |
|
Si2 .6612 .66921 .52810 .0077 |
|
Si3 .8311 .84386 .37568 .0079 |
|
Si4 .4678 .50542 .20963 .882 .0062 |
|
O1 .6448 .5928 .6044 .0093 |
|
O2 .3722 .9386 .4647 .0079 |
|
O3 .0597 .7827 .3965 .0106 |
|
O4 .4222 .7244 .5083 .0106 |
|
O5 .9504 .9373 .6206 .0095 |
|
O6 .2541 .7649 .6783 .0087 |
|
O7 .4950 .8916 .7831 .0077 |
|
O8 .5886 .7956 .3408 .0094 |
|
O9 .6828 .6194 .4389 .0104 |
|
O10 .2212 .7360 .2296 .0096 |
|
O11 .8232 .8947 .4667 .0066 |
|
O12 .4929 .8852 .6169 .0067 |
|
O13 .7944 .5408 .7777 .0107 |
|
O14 .3560 .5805 .7997 .0092 |
|
O15 .1683 .5592 .6256 .0115 |
|
O16 .5460 .5670 .2915 .0088 |
|
O17 .8832 .7261 .5674 .0092 |
|
O18 .1347 .5685 .4291 .0098 |
|
H1 .156 .560 .480 .021 |
|
H2 .708 .542 .596 .021 |
|
H3 .899 .504 .779 .021 |
|
H4 .408 .915 .417 .021 |
|
H5 .270 .578 .644 .021 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Fluorarrojadite-(KFe) |
| |
Steele I M |
| |
General Meeting of the International Mineralogical Association 18 (2002) MO2-117 |
|
Arrojadite: variations in space group and composition |
|
based on four new refinements |
|
Sample: arronpc |
|
Locality: Nickel Plate mine, South Dakota, USA |
|
_database_code_amcsd 0012655 |
|
16.506 10.036 24.723 90.00 105.67 90.00 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) |
|
Al 0 .5 0 .0090 .0094 .0098 .0078 .0009 .0025 .0002 |
|
K 0 .5029 .25 .908 .0461 .0263 .043 .079 .000 .0316 .000 |
|
Ca .23192 .2211 .48459 .584 .0276 .0276 .0274 .0355 .0141 .0218 .0166 |
|
Fe 0 .074 .25 .78 .0121 .0067 .020 .0125 .000 .0074 .000 |
|
Na1 0 .074 .25 .22 .0121 .0067 .020 .0125 .000 .0074 .000 |
|
Na2 .1303 .5145 .11992 .991 .060 .113 .0181 .022 .0148 -.029 -.0032 |
|
Na3 0 0 0 .95 .0285 .038 .015 .023 .0040 -.0092 .0015 |
|
Fe1 -.22039 .89674 .02629 .48 .0319 .0208 .0370 .0438 .0144 .0185 .0257 |
|
Mg1 -.22039 .89674 .02629 .52 .0319 .0208 .0370 .0438 .0144 .0185 .0257 |
|
Fe2 .21268 .00732 .26725 .89 .0139 .0157 .0131 .0111 .0007 .0008 .0002 |
|
Mg2 .21268 .00732 .26725 .11 .0139 .0157 .0131 .0111 .0007 .0008 .0002 |
|
Fe3 .10609 .01445 .13958 .71 .0119 .0128 .0111 .0105 .0003 .0010 -.0011 |
|
Mg3 .10609 .01445 .13958 .29 .0119 .0128 .0111 .0105 .0003 .0010 -.0011 |
|
Fe4 .02220 .24976 .40347 .95 .0126 .0137 .0114 .0130 -.0019 .0042 -.0016 |
|
Mg4 .02220 .24976 .40347 .05 .0126 .0137 .0114 .0130 -.0019 .0042 -.0016 |
|
Fe5 .03367 .74347 .40044 .95 .0110 .0088 .0135 .0106 -.0002 .0024 .0002 |
|
Mg5 .03367 .74347 .40044 .05 .0110 .0088 .0135 .0106 -.0002 .0024 .0002 |
|
Fe6 .20440 .69978 .35169 .88 .0135 .0141 .0166 .0097 -.0011 .0029 .0008 |
|
Mg6 .20440 .69978 .35169 .12 .0135 .0141 .0166 .0097 -.0011 .0029 .0008 |
|
Fe7 .21921 .29450 .34269 .88 .0168 .0147 .0245 .0113 .0056 .0038 -.0013 |
|
Mg7 .21921 .29450 .34269 .12 .0168 .0147 .0245 .0113 .0056 .0038 -.0013 |
|
O1 .1812 .0442 .4216 .0529 .038 .044 .070 -.007 .003 -.011 |
|
O2 .1121 -.1413 .3630 .0179 .018 .016 .024 .0029 .0131 .0027 |
|
O3 .0256 .0618 .3675 .0169 .016 .014 .024 .0002 .0117 -.0032 |
|
O4 .1426 .0773 .3210 .0369 .048 .026 .052 .010 .040 .015 |
|
O5 .3697 .1563 .6130 .0173 .015 .016 .024 -.0020 .0109 -.0053 |
|
O6 .3786 -.0972 .6077 .0169 .016 .014 .024 .0018 .0101 .0016 |
|
O7 .2893 .0371 .5271 .0230 .013 .035 .018 .001 -.0001 -.002 |
|
O8 .4495 .0554 .55508 .0126 .0125 .013 .0129 -.0005 .0052 -.0017 |
|
O9 -.0845 .8339 -.07463 .0155 .016 .014 .018 .0004 .0079 .0028 |
|
O10 -.0945 .6050 -.03595 .0132 .014 .012 .013 .0014 .0018 .0006 |
|
O11 -.1084 .8114 .02029 .0169 .021 .018 .011 .0052 .0027 -.0019 |
|
O12 -.2228 .7467 -.0627 .0180 .011 .020 .021 .0012 .0009 .0049 |
|
O13 .4038 .3142 .51222 .0174 .026 .016 .011 .0034 .0064 -.0006 |
|
O14 .4353 .3721 .42072 .0145 .017 .012 .015 .0005 .0060 .0037 |
|
O15 .3062 .2364 .4226 .0193 .010 .022 .022 -.0002 -.0009 .0037 |
|
O16 .4532 .1430 .45170 .0130 .0130 .012 .014 .0018 .0027 .0023 |
|
O17 .3607 .3764 .2910 .0290 .045 .013 .020 .002 -.007 -.0003 |
|
O18 .4520 .1775 .3293 .0238 .021 .024 .022 .000 -.0030 -.003 |
|
O19 .2960 .1602 .3059 .0209 .019 .024 .022 -.0025 .0083 .0008 |
|
O20 .3699 .1774 .2296 .0237 .031 .026 .013 .002 .0049 -.0007 |
|
O21 .1517 .3543 .2628 .0394 .065 .027 .015 .018 -.009 -.007 |
|
O22 .1475 .1451 .20548 .0211 .034 .010 .014 .0001 -.0023 .0001 |
|
O23 .0582 .3419 .1652 .0215 .022 .020 .019 .0022 -.0017 -.0011 |
|
O24 .2155 .3530 .1821 .0262 .022 .021 .031 -.006 .000 .006 |
|
F .2693 .5022 .3614 .0296 .027 .027 .035 .0008 .0101 -.0001 |
|
P1A .11396 .0089 .36659 .760 .0149 .0149 .0121 .022 .0008 .0114 .0030 |
|
P1B .0792 -.0060 .3342 .198 .003 .005 .004 .000 .000 .001 .001 |
|
P2 .36946 .03325 .57555 .0113 .0102 .0124 .0119 -.0004 .0042 -.0012 |
|
P3 -.12621 .74833 -.03851 .0100 .0091 .0114 .0093 .0012 .0023 .0010 |
|
P4 .39758 .26751 .45243 .0106 .0111 .0104 .0100 .0006 .0025 .0009 |
|
P5 .37030 .22356 .28814 .0128 .0154 .0117 .0101 -.0013 .0015 -.0003 |
|
P6 .14239 .29777 .20441 .0158 .0209 .0112 .0119 -.0004 -.0015 -.0002 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Fluorarrojadite-(KFe) |
| |
Steele I M |
| |
General Meeting of the International Mineralogical Association 18 (2002) MO2-117 |
|
Arrojadite: variations in space group and composition |
|
based on four new refinements |
|
Sample: arro135C |
|
Locality: Chandler Mills quarry, Newport, New Hampshire, USA |
|
_database_code_amcsd 0012656 |
|
16.459 10.018 24.597 90.00 105.78 90.00 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) |
|
Al .5 0 .5 .0103 .0119 .0082 .0112 -.0008 .0036 .0003 |
|
Pb .5 .00372 .25 .17 .0338 .0213 .0321 .0531 .000 .0190 .000 |
|
K .5 .00372 .25 .83 .0338 .0213 .0321 .0531 .000 .0190 .000 |
|
Sr .23219 .2202 .48476 .08 .0297 .0307 .0274 .0390 .0136 .0230 .0161 |
|
Ca .23219 .2202 .48476 .42 .0297 .0307 .0274 .0390 .0136 .0230 .0161 |
|
Na 0 .047 .25 .21 .0580 .0121 .146 .0210 .000 .013 .000 |
|
Na2 .3676 .0163 .37937 .958 .0515 .095 .0154 .022 -.0101 -.023 .0022 |
|
Na3 .5 .5 .5 .98 .0310 .039 .012 .032 -.0040 -.008 -.0001 |
|
Fe1 .72100 .3936 .47464 .34 .0325 .0233 .0347 .0449 -.0145 .0185 -.0248 |
|
Mg1 .72100 .3936 .47464 .66 .0325 .0233 .0347 .0449 -.0145 .0185 -.0248 |
|
Fe2 .21185 .01091 .26734 .91 .0154 .0186 .0117 .0146 .0000 .0023 .0000 |
|
Mg2 .21185 .01091 .26734 .09 .0154 .0186 .0117 .0146 .0000 .0023 .0000 |
|
Fe3 .39353 .51496 .36022 .42 .0131 .0156 .0098 .0130 -.0001 .0024 .0011 |
|
Mg3 .39353 .51496 .36022 .58 .0131 .0156 .0098 .0130 -.0001 .0024 .0011 |
|
Fe4 .47781 .24978 .59697 .89 .0140 .0160 .0105 .0159 -.0017 .0049 -.0012 |
|
Mg4 .47781 .24978 .59697 .11 .0140 .0160 .0105 .0159 -.0017 .0049 -.0012 |
|
Fe5 .53393 .24390 .40016 .96 .0132 .0125 .0131 .0140 -.0005 .0035 -.0003 |
|
Mg5 .53393 .24390 .40016 .04 .0132 .0125 .0131 .0140 -.0005 .0035 -.0003 |
|
Fe6 .79560 .29890 .64802 .88 .0155 .0171 .0170 .0117 -.0026 .0028 .0004 |
|
Mg6 .79560 .29890 .64802 .12 .0155 .0171 .0170 .0117 -.0026 .0028 .0004 |
|
Fe7 .21852 .29257 .34338 .86 .0184 .0169 .0235 .0146 .0063 .0040 -.0014 |
|
Mg7 .21852 .29257 .34338 .14 .0184 .0169 .0235 .0146 .0063 .0040 -.0014 |
|
O1 .1809 .0418 .4232 .061 .053 .057 .068 -.010 .006 -.017 |
|
O2 .1119 -.1398 .3628 .0190 .021 .014 .024 .0023 .0108 .0021 |
|
O3 .0250 .0625 .3675 .0175 .019 .014 .022 .0002 .0103 -.0016 |
|
O4 .1465 .0801 .3238 .0353 .048 .021 .050 .008 .037 .012 |
|
O5 .3704 .1565 .6140 .0178 .018 .015 .023 -.0016 .0109 -.0062 |
|
O6 .3796 -.0969 .6092 .0203 .022 .013 .029 -.0010 .012 .0004 |
|
O7 .2890 .0364 .5277 .0258 .017 .037 .020 -.001 .001 -.005 |
|
O8 .4493 .0556 .55528 .0133 .013 .013 .015 .0003 .0060 -.0003 |
|
O9 .5848 .3334 .5759 .0166 .021 .012 .019 -.0010 .0102 -.0032 |
|
O10 .5947 .1042 .53653 .0144 .014 .011 .019 -.0017 .0036 .0004 |
|
O11 .6081 .3109 .48000 .0190 .026 .018 .013 -.0059 .0048 -.0001 |
|
O12 .7227 .2466 .5639 .0192 .013 .017 .026 .0013 .0037 -.0039 |
|
O13 .4036 .3143 .5119 .0191 .028 .014 .014 .0029 .0055 -.0003 |
|
O14 .4345 .3719 .4198 .0163 .019 .012 .018 -.0001 .0074 .0023 |
|
O15 .3057 .2347 .4223 .0199 .014 .017 .026 -.0020 -.0013 .0018 |
|
O16 .4538 .1431 .45174 .0139 .016 .010 .016 .0013 .0051 -.0001 |
|
O17 .3653 .3796 .2901 .0236 .035 .009 .020 .001 -.004 -.0001 |
|
O18 .4518 .1752 .3289 .0191 .019 .016 .019 .0009 .0004 .0000 |
|
O19 .2946 .1668 .3058 .0192 .018 .021 .019 -.0021 .0057 .0022 |
|
O20 .3685 .1758 .2289 .0215 .029 .019 .016 .003 .004 -.0001 |
|
O21 .1484 .3515 .2647 .0294 .041 .024 .017 .013 -.002 -.007 |
|
O22 .1480 .1459 .2054 .0204 .029 .009 .019 .0017 .000 -.0007 |
|
O23 .0577 .3442 .1661 .0204 .022 .017 .019 .0040 -.0010 -.0025 |
|
O24 .2155 .3572 .1846 .0228 .019 .019 .028 -.0032 .002 .006 |
|
F .2697 .4988 .3605 .0316 .024 .035 .036 .0015 .010 .005 |
|
P1A .11319 .0091 .36621 .783 .0252 .0288 .0111 .045 .0034 .0263 .0057 |
|
P1B .0778 -.0038 .3329 .087 .003 .000 .000 .000 -.002 -.016 -.004 |
|
P2 .36949 .03287 .57610 .0127 .0128 .0114 .0143 -.0007 .0044 -.0016 |
|
P3 .62628 .24833 .53920 .0115 .0122 .0089 .0135 -.0014 .0037 -.0012 |
|
P4 .39727 .26758 .45204 .0119 .0141 .0088 .0127 .0003 .0034 .0013 |
|
P5 .37045 .22589 .28776 .0127 .0147 .0090 .0138 .0005 .0028 .0004 |
|
P6 .14201 .29888 .20572 .0143 .0165 .0103 .0143 .0005 .0011 -.0001 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Arrojadite-(KNa) |
|
Steele I M |
| |
General Meeting of the International Mineralogical Association 18 (2002) MO2-117 |
|
Arrojadite: variations in space group and composition |
|
based on four new refinements |
|
Sample: red06ye |
|
Locality: Rapid Creek, Yukon, Canada |
|
_database_code_amcsd 0012657 |
|
16.549 10.053 24.618 90.00 106.55 90.00 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) |
|
Al .26188 .99948 .20675 .0090 .0081 .0098 .0093 -.0005 .0030 -.0005 |
|
Ca .49493 .72432 .19056 .984 .0111 .0111 .0109 .0127 .0016 .0056 .0015 |
|
K1 .75734 .52011 -.04573 .902 .0309 .0224 .0216 .0553 .0023 .0216 .0020 |
|
Na1 .27631 .6859 -.02073 .996 .0271 .0238 .0262 .0303 .0047 .0064 .0002 |
|
Na2A .1336 .0173 .08367 .971 .0303 .049 .0168 .0154 -.0098 -.0071 .0019 |
|
Na2B .87933 .4854 .33112 .970 .0244 .0421 .0139 .0128 -.0043 .0008 .0001 |
|
Na3A .2564 .5048 .20892 .961 .0257 .0354 .0129 .0209 -.0047 -.0047 -.0024 |
|
Na3B .55234 .0668 .25287 .960 .0224 .0211 .0234 .0190 -.0018 -.0002 -.0062 |
|
Fe1 .98183 .88533 .17886 .89 .0126 .0115 .0107 .0172 -.0015 .0065 -.0027 |
|
Mg1 .98183 .88533 .17886 .11 .0126 .0115 .0107 .0172 -.0015 .0065 -.0027 |
|
Fe2A .04671 .51992 -.06256 .95 .0125 .0135 .0125 .0108 -.0017 .0026 -.0008 |
|
Mg2A .04671 .51992 -.06256 .05 .0125 .0135 .0125 .0108 -.0017 .0026 -.0008 |
|
Fe2B .47184 .51456 -.02650 .76 .0121 .0119 .0126 .0112 -.0001 .0024 -.0019 |
|
Mg2B .47184 .51456 -.02650 .24 .0121 .0119 .0126 .0112 -.0001 .0024 -.0019 |
|
Fe3A .36992 .51879 -.15516 .57 .0101 .0107 .0097 .0101 -.0002 .0032 -.0013 |
|
Mg3A .36992 .51879 -.15516 .43 .0101 .0107 .0097 .0101 -.0002 .0032 -.0013 |
|
Fe3B .15404 .51410 .06640 .43 .0102 .0110 .0098 .0098 .0008 .0028 .0011 |
|
Mg3B .15404 .51410 .06640 .57 .0102 .0110 .0098 .0098 .0008 .0028 .0011 |
|
Fe4A .23319 .74925 -.19937 .72 .0111 .0107 .0111 .0114 .0007 .0032 -.0003 |
|
Mg4A .23319 .74925 -.19937 .28 .0111 .0107 .0111 .0114 .0007 .0032 -.0003 |
|
Fe4B .28149 .74904 .11087 .78 .0094 .0090 .0105 .0087 -.0009 .0027 -.0008 |
|
Mg4B .28149 .74904 .11087 .22 .0094 .0090 .0105 .0087 -.0009 .0027 -.0008 |
|
Fe5A .22793 .75397 .30554 .97 .0104 .0095 .0126 .0095 -.0001 .0034 .0000 |
|
Mg5A .22793 .75397 .30554 .03 .0104 .0095 .0126 .0095 -.0001 .0034 .0000 |
|
Fe5B .79365 .74052 .10639 .93 .0104 .0086 .0120 .0107 .0003 .0027 -.0004 |
|
Mg5B .79365 .74052 .10639 .07 .0104 .0086 .0120 .0107 .0003 .0027 -.0004 |
|
Fe6A .05935 .80813 .35518 .94 .0147 .0133 .0210 .0091 -.0009 .0021 -.0004 |
|
Mg6A .05935 .80813 .35518 .06 .0147 .0133 .0210 .0091 -.0009 .0021 -.0004 |
|
Fe6B .96160 .69430 .05802 .92 .0121 .0127 .0156 .0075 .0003 .0021 -.0009 |
|
Mg6B .96160 .69430 .05802 .08 .0121 .0127 .0156 .0075 .0003 .0021 -.0009 |
|
Fe7A .47946 .80246 .04808 .92 .0141 .0128 .0202 .0086 .0057 .0019 -.0023 |
|
Mg7A .47946 .80246 .04808 .08 .0141 .0128 .0202 .0086 .0057 .0019 -.0023 |
|
Fe7B .04422 .79268 -.13948 .76 .0115 .0108 .0151 .0095 -.0021 .0041 -.0001 |
|
Mg7B .04422 .79268 -.13948 .24 .0115 .0108 .0151 .0095 -.0021 .0041 -.0001 |
|
P1A .17902 .49699 -.13108 .0110 .0112 .0122 .0104 .0003 .0045 -.0004 |
|
P1B .87411 .00690 .07398 .0099 .0107 .0102 .0100 -.0001 .0049 .0007 |
|
P2A .39154 .96492 .13161 .0100 .0102 .0094 .0111 .0007 .0043 -.0005 |
|
P2B .13165 .97190 -.21748 .0096 .0093 .0105 .0098 -.0003 .0039 -.0004 |
|
P3A .13595 .75125 .16697 .0090 .0093 .0100 .0089 -.0006 .0044 .0003 |
|
P3B .88776 .74495 .24841 .0095 .0089 .0099 .0095 -.0010 .0025 -.0018 |
|
P4A .65913 .76825 .15860 .0093 .0091 .0092 .0098 .0000 .0029 .0009 |
|
P4B .36510 .73439 .25473 .0093 .0097 .0103 .0084 .0011 .0032 .0001 |
|
P5A .89204 .73110 -.08148 .0100 .0109 .0096 .0099 .0001 .0034 -.0008 |
|
P5B .12654 .76826 .49385 .0107 .0102 .0112 .0105 -.0001 .0026 .0001 |
|
P6A .39573 .79932 -.08692 .0109 .0115 .0102 .0102 -.0012 .0020 -.0005 |
|
P6B .12012 .79938 -.00182 .0115 .0104 .0111 .0116 -.0003 .0009 -.0003 |
|
O1A .2373 .4766 -.06859 .0197 .021 .0246 .0129 -.0008 .0035 .0000 |
|
O1B .9388 .0441 .12986 .0169 .0194 .0147 .0148 -.0004 .0020 -.0005 |
|
O2A .1480 .6367 .34120 .0136 .0149 .0118 .0167 .0033 .0086 .0014 |
|
O2B .8725 .8540 .07095 .0141 .0167 .0107 .0156 .0000 .0059 .0024 |
|
O3A .2344 .5637 -.16290 .0174 .017 .0165 .0220 -.0011 .0110 .0036 |
|
O3B .2863 .5614 .07269 .0139 .0102 .0157 .0167 .0014 .0050 -.0002 |
|
O4A .1052 .5800 -.12632 .0164 .0179 .0147 .0208 .0056 .0125 -.0012 |
|
O4B .4004 .5704 .02512 .0196 .019 .024 .0190 .0049 .0098 .0048 |
|
O5A .1289 .8448 -.18385 .0138 .0118 .0147 .0190 .0020 .0108 .0030 |
|
O5B .3915 .8383 .09511 .0125 .0156 .0116 .0098 .0010 .0030 -.0044 |
|
O6A .3801 .0942 .09721 .0154 .0159 .0129 .0204 .0038 .0100 .0049 |
|
O6B .1442 .0983 -.18272 .0138 .0149 .0111 .0190 -.0010 .0105 -.0015 |
|
O7A .4717 .9597 .17947 .0152 .0128 .0163 .0155 .0022 .0023 -.0001 |
|
O7B .0493 .9804 -.26619 .0142 .014 .0127 .0136 -.0002 .0008 -.0005 |
|
O8A .3113 .9442 .15169 .0105 .0109 .0115 .0105 .0012 .0052 -.0024 |
|
O8B .2093 .9471 -.23913 .0125 .0129 .0134 .0124 .0024 .0055 -.0011 |
|
O9A .1761 .6663 .13014 .0144 .0135 .0167 .0140 -.0010 .0056 -.0013 |
|
O9B .8380 .8351 .27778 .0129 .0115 .0147 .0148 .0004 .0077 -.0021 |
|
O10A .1673 .8948 .16890 .0123 .0159 .0100 .0114 -.0022 .0047 -.0028 |
|
O10B .8571 .6019 .24623 .0122 .0106 .0119 .0140 -.0005 .0032 .0003 |
|
O11A .1549 .6902 .22613 .0153 .023 .0161 .0058 -.0039 .0029 .0002 |
|
O11B .8759 .7991 .18748 .0149 .018 .0162 .0132 -.0029 .0084 .0032 |
|
O12A .0384 .7545 .13981 .0146 .0126 .0173 .0145 -.0009 .0048 -.0043 |
|
O12B .9822 .7496 .27820 .0163 .0064 .0198 .0220 .0009 .0029 -.0044 |
|
O13A .6566 .8111 .21732 .0136 .0135 .0178 .0109 .0018 .0057 -.0020 |
|
O13B .3518 .6849 .19385 .0127 .0147 .0140 .0100 .0022 .0046 -.0005 |
|
O14A .6990 .8755 .12987 .0118 .0147 .0102 .0115 -.0007 .0057 .0027 |
|
O14B .3302 .6308 .28828 .0124 .0139 .0105 .0140 -.0003 .0055 -.0007 |
|
O15A .5702 .7321 .12394 .0140 .0074 .0187 .0142 -.0013 .0004 -.0029 |
|
O15B .4585 .7637 .28039 .0129 .0097 .0141 .0173 .0025 .0076 .0020 |
|
O16A .7169 .6452 .16027 .0109 .0125 .0089 .0113 .0005 .0032 -.0019 |
|
O16B .3089 .8572 .25584 .0116 .0119 .0112 .0118 .0025 .0036 .0023 |
|
O17A .8921 .8857 -.08184 .0184 .020 .0123 .0191 .0007 .0002 .0033 |
|
O17B .1222 .6167 .49726 .0205 .028 .0115 .0167 -.0018 -.0026 -.0015 |
|
O18A .8102 .6802 -.12288 .0140 .0123 .0183 .0098 .0005 .0005 -.0002 |
|
O18B .2058 .8209 .53694 .0136 .0125 .0128 .0139 -.0026 .0011 .0022 |
|
O19A .9664 .6809 -.10228 .0151 .0111 .0199 .0159 -.0003 .0061 .0008 |
|
O19B .0491 .8267 .50976 .0157 .013 .0186 .0157 .0033 .0043 -.0011 |
|
O20A .9000 .6769 -.02275 .0189 .021 .0198 .0150 -.0039 .0035 -.0007 |
|
O20B .1245 .8151 .43511 .0158 .016 .0203 .0098 -.0026 .0022 .0025 |
|
O21A .3909 .8357 -.02811 .0175 .020 .0178 .0133 .0047 .0021 -.0013 |
|
O21B .1187 .8428 -.06097 .0291 .038 .031 .0101 -.0182 -.0056 .0064 |
|
O22A .4096 .6475 -.08998 .0168 .027 .0084 .0114 .0019 .0001 -.0018 |
|
O22B .1113 .6469 -.00041 .0150 .018 .0115 .0162 -.0008 .0059 .0028 |
|
O23A .3133 .8387 -.13040 .0141 .016 .0102 .0141 .0008 .0005 -.0013 |
|
O23B .2066 .8354 .03858 .0179 .016 .0180 .0168 -.0032 .0001 .0005 |
|
O24A .4698 .8719 -.10107 .0183 .017 .0198 .0162 -.0060 .0023 .0039 |
|
O24B .0493 .8661 .01801 .0277 .017 .026 .037 .0081 .0025 -.0161 |
|
O25A .4931 .4968 -.15613 .0183 .011 .023 .022 -.0013 .0081 -.0004 |
|
O25B .0305 .4999 .07129 .0150 .017 .0138 .0141 .0016 .0040 .0034 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Arrojadite-(KNa) |
|
Steele I M |
| |
General Meeting of the International Mineralogical Association 18 (2002) MO2-117 |
|
Arrojadite: variations in space group and composition |
|
based on four new refinements |
|
Sample: arropala |
|
Locality: Palermo No. 1 mine, Groton, New Hampshire, USA |
|
_database_code_amcsd 0012658 |
|
16.531 10.0040 24.644 90.00 105.943 90.00 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) |
|
Al .26167 .99887 .20654 .0049 .0055 .0028 .0064 -.0003 .0018 .0002 |
|
Sr .48669 .71368 .18636 .23 .01368 .0149 .0114 .0148 .0014 .0043 .0010 |
|
Ca .48669 .71368 .18636 .23 .01368 .0149 .0114 .0148 .0014 .0043 .0010 |
|
Fe .48669 .71368 .18636 .54 .01368 .0149 .0114 .0148 .0014 .0043 .0010 |
|
Ba .75613 .50461 -.04781 .06 .0197 .0120 .0287 .0214 .0037 .0094 .0033 |
|
K1A .75613 .50461 -.04781 .51 .0197 .0120 .0287 .0214 .0037 .0094 .0033 |
|
K1B .7605 .6446 -.0441 .17 .0082 |
|
Na1 .2804 .6832 -.01886 .589 .0187 .015 .024 .017 .0137 .0051 .0110 |
|
Na2A .1345 .0118 .08591 .945 .0247 .045 .0062 .0123 -.0048 -.0099 .0019 |
|
Na2B .87846 .4893 .32899 .947 .0098 .0155 .0041 .0074 -.0018 -.0010 .0000 |
|
Na3A .2614 .5023 .20652 .998 .0115 .0150 .0058 .0112 -.0018 -.0009 -.0008 |
|
Na3B .55256 .0539 .25049 .980 .0116 .0099 .0129 .0097 -.0021 -.0014 -.0022 |
|
Fe1 .98516 .88337 .18470 .96 .0075 .0073 .0060 .0096 -.0015 .0027 -.0032 |
|
Mg1 .98516 .88337 .18470 .04 .0075 .0073 .0060 .0096 -.0015 .0027 -.0032 |
|
Fe2A .04671 .51112 -.06381 .98 .0096 .0141 .0067 .0069 -.0019 .0010 -.0015 |
|
Mg2A .04671 .51112 -.06381 .02 .0096 .0141 .0067 .0069 -.0019 .0010 -.0015 |
|
Fe2B .47272 .50570 -.02527 .91 .0067 .0081 .0056 .0054 -.0005 -.0001 -.0005 |
|
Mg2B .47272 .50570 -.02527 .09 .0067 .0081 .0056 .0054 -.0005 -.0001 -.0005 |
|
Fe3A .37110 .51504 -.15429 .52 .0055 .0070 .0039 .0053 .0001 .0012 -.0006 |
|
Mg3A .37110 .51504 -.15429 .48 .0055 .0070 .0039 .0053 .0001 .0012 -.0006 |
|
Fe3B .15387 .51177 .06580 .56 .0049 .0060 .0028 .0050 .0008 .0001 .0009 |
|
Mg3B .15387 .51177 .06580 .44 .0049 .0060 .0028 .0050 .0008 .0001 .0009 |
|
Fe4A .23606 .74611 -.19800 .82 .0047 .0063 .0028 .0047 .0013 .0008 .0002 |
|
Mg4A .23606 .74611 -.19800 .18 .0047 .0063 .0028 .0047 .0013 .0008 .0002 |
|
Fe4B .27880 .74836 .10850 .84 .0060 .0058 .0040 .0074 .0003 .0007 -.0005 |
|
Mg4B .27880 .74836 .10850 .16 .0060 .0058 .0040 .0074 .0003 .0007 -.0005 |
|
Fe5A .22744 .75219 .30433 .99 .0051 .0059 .0040 .0050 .0000 .0007 -.0010 |
|
Mg5A .22744 .75219 .30433 .01 .0051 .0059 .0040 .0050 .0000 .0007 -.0010 |
|
Fe5B .79347 .74065 .10695 .99 .0058 .0064 .0046 .0060 -.0002 .0009 .0006 |
|
Mg5B .79347 .74065 .10695 .01 .0058 .0064 .0046 .0060 -.0002 .0009 .0006 |
|
Fe6A .05591 .80261 .35348 .90 .0079 .0093 .0084 .0055 -.0009 .0014 .0004 |
|
Mg6A .05591 .80261 .35348 .10 .0079 .0093 .0084 .0055 -.0009 .0014 .0004 |
|
Fe6B .96393 .69474 .05822 .93 .0066 .0085 .0059 .0052 .0004 .0015 .0002 |
|
Mg6B .96393 .69474 .05822 .07 .0066 .0085 .0059 .0052 .0004 .0015 .0002 |
|
Fe7A .48162 .79830 .04887 .89 .0066 .0085 .0071 .0040 .0027 .0010 -.0007 |
|
Mg7A .48162 .79830 .04887 .11 .0066 .0085 .0071 .0040 .0027 .0010 -.0007 |
|
Fe7B .04223 .78902 -.13981 .86 .0064 .0078 .0062 .0048 -.0014 .0011 .0008 |
|
Mg7B .04223 .78902 -.13981 .14 .0064 .0078 .0062 .0048 -.0014 .0011 .0008 |
|
P1A .87477 .00588 .07462 .0052 .0072 .0035 .0052 -.0001 .0018 -.0005 |
|
P1B .18060 .49527 -.12937 .0067 .0095 .0044 .0069 -.0015 .0035 -.0005 |
|
P2A .39013 .95864 .13120 .0053 .0073 .0033 .0053 .0000 .0016 .0004 |
|
P2B .13162 .96699 -.21767 .0049 .0061 .0035 .0045 -.0005 .0008 -.0005 |
|
P3A .13681 .74684 .16906 .0044 .0056 .0034 .0041 .0003 .0008 .0004 |
|
P3B .88714 .74808 .24583 .0050 .0058 .0033 .0057 -.0008 .0010 -.0002 |
|
P4A .65834 .76867 .16115 .0045 .0061 .0028 .0045 -.0001 .0016 -.0007 |
|
P4B .36724 .73522 .25388 .0054 .0071 .0034 .0048 .0006 .0002 .0009 |
|
P5A .88967 .72444 -.08280 .0058 .0086 .0037 .0046 .0015 .0008 -.0004 |
|
P5B .12898 .77651 .49440 .0060 .0064 .0044 .0069 -.0006 .0014 .0003 |
|
P6A .40234 .79605 -.08916 .0079 .0114 .0024 .0077 .0004 -.0011 -.0005 |
|
P6B .11464 .79483 .00011 .0079 .0079 .0054 .0076 -.0016 -.0026 .0000 |
|
O1A .2373 .4679 -.06651 .0220 .020 .038 .0063 -.004 .0015 .0037 |
|
O1B .9403 .0401 .13059 .0111 .014 .0071 .0092 .0015 -.0014 -.0008 |
|
O2A .1470 .6350 .34113 .0069 .010 .0033 .0078 .0019 .0028 .0004 |
|
O2B .8723 .8525 .06839 .0083 .011 .0053 .0104 -.0011 .0050 .0000 |
|
O3A .2403 .5602 -.15950 .0107 .013 .0075 .0134 -.0020 .0070 -.0015 |
|
O3B .2868 .5594 .07475 .0068 .0052 .0054 .0094 .0001 .0013 -.0034 |
|
O4A .1086 .5828 -.12411 .0164 .021 .0091 .025 .0018 .0157 -.0002 |
|
O4B .4024 .5752 .02679 .0144 .021 .012 .0144 .0041 .0122 .0048 |
|
O5A .1341 .8464 -.17891 .0079 .011 .0057 .0076 -.0018 .0041 -.0009 |
|
O5B .3864 .8385 .09027 .0086 .011 .0049 .011 -.0024 .0048 -.0067 |
|
O6A .3848 .0949 .10266 .0086 .011 .0051 .0116 .0020 .0052 .0020 |
|
O6B .1397 .1015 -.18755 .0086 .012 .0062 .0075 .0005 .0024 .0009 |
|
O7A .4701 .9359 .17945 .0097 .008 .0117 .0084 .0038 .0012 .0033 |
|
O7B .0502 .9630 -.26660 .0078 .011 .0048 .0058 -.0028 -.0007 .0008 |
|
O8A .3080 .9412 .15010 .0056 .0045 .0057 .0084 -.0024 .0050 -.0007 |
|
O8B .2109 .9432 -.23855 .0066 .008 .0047 .0057 -.0011 -.0013 .0003 |
|
O9A .1755 .6655 .12955 .0068 .008 .0056 .0078 .0008 .0030 -.0018 |
|
O9B .8438 .8332 .28145 .0089 .012 .0067 .0098 -.0014 .0059 .0004 |
|
O10A .1662 .8925 .17222 .0069 .012 .0018 .0070 .0019 .0021 .0018 |
|
O10B .8571 .6027 .24318 .0059 .0059 .0052 .0055 -.0016 -.0007 -.0019 |
|
O11A .1595 .6803 .22693 .0076 .010 .0080 .0053 -.0014 .0020 -.0022 |
|
O11B .8682 .8119 .18562 .0093 .012 .0070 .0087 -.0001 .0019 .0043 |
|
O12A .0394 .7509 .14521 .0069 .0044 .0060 .0110 -.0026 .0031 -.0032 |
|
O12B .9835 .7549 .26869 .0101 .010 .0049 .014 .0005 .0016 -.0028 |
|
O13A .6659 .8187 .22086 .0075 .012 .0039 .0069 .0024 .0036 -.0003 |
|
O13B .3558 .6856 .19318 .0074 .011 .0060 .0055 .0007 .0023 -.0021 |
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O14A .6946 .8721 .12729 .0063 .0069 .0055 .0052 -.0003 -.0003 .0016 |
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O14B .3327 .6307 .28725 .0075 .012 .0042 .0068 .0007 .0044 -.0003 |
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O15A .5664 .7347 .13112 .0093 .004 .0103 .0117 -.0001 -.0006 -.0012 |
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O15B .4601 .7650 .27885 .0085 .007 .0067 .0104 -.0024 .0005 .0015 |
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O16A .7145 .6434 .16005 .0052 .0078 .0019 .0058 .0006 .0019 -.0016 |
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O16B .3104 .8583 .25525 .0066 .008 .0050 .0052 .0015 -.0007 .0014 |
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O17A .8946 .8788 -.08334 .0138 .018 .0056 .0123 .0013 -.0058 .0000 |
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O17B .1184 .6232 .49746 .0176 .027 .0047 .014 .0006 -.0070 .0028 |
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O18A .8071 .6777 -.12400 .0092 .010 .0089 .0079 .0012 .0009 -.0002 |
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O18B .2123 .8217 .53560 .0108 .009 .0088 .0103 -.0030 -.0040 .0048 |
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O19A .9622 .6647 -.10367 .0105 .009 .012 .0108 .0014 .0021 -.0043 |
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O19B .0553 .8406 .51341 .0125 .009 .019 .0098 .0042 .0039 -.0023 |
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O20A .8943 .6729 -.02411 .0129 .014 .015 .0093 -.0057 .0034 .0004 |
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O20B .1267 .8217 .43494 .0107 .016 .0117 .0040 -.0012 .0024 .0014 |
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O21A .4068 .8461 -.03002 .0310 .053 .020 .010 .025 -.009 -.0051 |
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O21B .1021 .8534 -.05808 .0254 .039 .018 .009 -.019 -.010 .0077 |
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O22A .4121 .6440 -.08930 .0096 .018 .0001 .0091 -.0032 .0006 .0015 |
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O22B .1091 .6407 -.00151 .0092 .012 .0058 .0079 -.0040 .0000 .0006 |
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O23A .3188 .8378 -.12982 .0075 .014 .0030 .0050 .0005 .0021 -.0021 |
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O23B .2015 .8354 .03764 .0139 .015 .013 .012 -.0077 .0000 .0006 |
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O24A .4741 .8590 -.1099 .0183 .010 .011 .028 -.0038 -.0044 .0065 |
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O24B .0436 .8498 .02553 .0154 .012 .010 .022 .0039 -.0001 -.0076 |
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O25A .4934 .4975 -.15736 .0095 .006 .011 .012 -.0017 .0029 -.0052 |
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O25B .0305 .4989 .07229 .0077 .012 .0025 .0070 -.0022 .0001 -.0010 |
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Austinite |
|
Clark L A, Pluth J J, Steele I M, Smith J V, Sutton S R |
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Mineralogical Magazine 61 (1997) 677-683 |
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Crystal structure of austinite, CaZn(AsO4)OH |
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Locality: Sonora, Mexico |
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_database_code_amcsd 0014530 |
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7.5092 9.0438 5.9343 90 90 90 P2_12_12_1 |
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atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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As .62285 .67699 .51670 .00593 .00616 .00612 .00552 -.00080 -.00004 .00014 |
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Zn .23594 .49358 .24316 .00964 .0110 .0116 .0063 -.00114 .00099 .00167 |
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Ca .63121 .32805 .47712 .00977 .0104 .0076 .0114 .0007 .0011 .0005 |
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O1 .4475 .5587 .4900 .00105 .0110 .0108 .0098 -.0037 .0003 .0004 |
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O2 .7914 .5633 .5882 .00140 .0103 .0147 .0171 .0026 -.0025 .0007 |
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O3 .3500 .2678 .2309 .00107 .0121 .0116 .0083 .0026 .0010 -.0013 |
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O4 .3970 .2903 .7585 .00119 .0139 .0125 .0093 .0026 .0019 .0028 |
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O5 .1085 .4269 .5087 .0088 .0089 .0096 .0078 .0001 -.0001 .0011 |
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H .014 .473 .513 .027 |
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Macphersonite |
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Steele I M, Pluth J J, Livingstone A |
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Mineralogical Magazine 62 (1998) 451-459 |
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Crystal structure of macphersonite (Pb4SO4(CO3)2(OH)2): comparison with leadhillite |
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Locality: Leadhills-Wanlockhead orefield, Scotland |
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Note: space group changed from Pcab to Pbca |
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_database_code_amcsd 0014534 |
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9.242 23.050 10.383 90 90 90 Pbca |
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atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Pb1 .06550 .44671 .87282 .0166 .0111 .0179 .0208 .0006 -.0002 -.0002 |
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Pb2 .39976 .54944 .88805 .0164 .0122 .0182 .0187 .0003 -.0005 .0009 |
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Pb3 .13688 .83923 .91390 .0199 .0174 .0180 .0242 -.0027 -.0034 -.0011 |
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Pb4 .53367 .66070 .65959 .0238 .0188 .0222 .0303 -.0030 .0024 .0027 |
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S .2642 .7562 .6177 .0175 .011 .017 .025 -.001 -.002 -.001 |
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OH1 .100 .3529 .916 .024 .014 .014 .044 .007 -.006 -.001 |
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O2 .388 .5654 .6361 .016 .003 .026 .020 .001 .001 -.002 |
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O3 .112 .4219 .6375 .019 .012 .037 .006 -.003 .001 .000 |
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O4 .176 .9255 .739 .023 .009 .040 .020 .003 .002 -.004 |
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OH5 .438 .6453 .870 .023 .020 .015 .033 .002 .004 .001 |
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O6 .180 .5656 .741 .018 .011 .021 .022 .003 .004 .009 |
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O7 -.187 .4233 .977 .022 .010 .031 .024 .003 -.005 -.001 |
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O8 .734 .6948 .851 .030 .033 .023 .036 -.010 .002 -.009 |
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O9 .416 .7648 .649 .037 .019 .033 .059 -.014 -.010 .011 |
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O10 .682 .5632 .974 .017 .014 .017 .020 .001 .008 -.002 |
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O11 .238 .7650 .478 .028 .035 .020 .028 .001 -.001 .001 |
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O12 .172 .7949 .691 .045 .059 .052 .023 .026 -.006 -.012 |
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C1 .248 .5648 .634 .011 .011 .001 .021 .000 .002 .000 |
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C2 .251 .9237 .633 .014 .008 .014 .019 -.003 .003 .006 |
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Barstowite |
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Steele I M, Pluth J J, Stanley C J |
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Mineralogical Magazine 63 (1999) 901-907 |
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Crystal structure of barstowite (3PbCl2PbCO3H2O) |
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Locality: Bounds Cliff, St Endellion, Cornwall |
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_database_code_amcsd 0014538 |
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4.2023 9.2020 16.6608 90 91.829 90 P2_1/m |
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atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Pb1 .2609 .75 .0415 .0273 .0223 .0329 .0266 0 .0003 0 |
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Pb2 .2542 .75 .5116 .0285 .0224 .0336 .0296 0 .0010 0 |
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Pb3 .8100 .5096 .2682 .0189 .0187 .0134 .0246 -.0008 -.0009 -.0018 |
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Cl1 .2892 .75 .2189 .0187 .019 .016 .021 0 -.002 0 |
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Cl2 .7690 .5309 .0879 .0208 .023 .020 .019 .001 .0008 .0014 |
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Cl3 .7443 .75 .3957 .0195 .025 .017 .016 0 .001 0 |
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Cl4 .7618 .5502 .5858 .0214 .024 .018 .022 .003 -.0037 .0007 |
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C .416 .25 .2457 .016 .013 .012 .023 0 .015 0 |
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O1 .675 .25 .2875 .021 .014 .015 .034 0 -.005 0 |
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O2 .753 .75 -.0632 .019 .022 .017 .016 0 -.001 0 |
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O3 .293 .3729 .2229 .018 .020 .010 .024 .003 .000 .002 |
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H .7492 .6640 -.0969 |
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Luetheite |
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Burns P C, Smith J V, Steele I M |
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Mineralogical Magazine 64 (2000) 25-30 |
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Arizona porphyry copper/hydrothermal deposits I. |
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The structure of chenevixite and luetheite |
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Note: Luetheite-chenevixite series |
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Locality: Humboldt mine, Patagonia, Arizona |
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_database_code_amcsd 0014539 |
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5.7012 5.1801 29.265 90 89.99 90 B2_1 |
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atom x y z occ Uiso |
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Cu1 .8659 .633 .1259 .0092 |
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Cu2 .366 .646 .1245 .0100 |
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AlM1 .122 .3848 .2145 .70 .0074 |
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FeM1 .122 .3848 .2145 .30 .0074 |
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AlM2 .625 .8860 .0343 .57 .0084 |
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FeM2 .625 .8860 .0343 .43 .0084 |
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As1 .8760 .6865 .9385 .0058 |
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As2 .6176 .0923 .1886 .0087 |
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O1 .857 .725 .9984 .0111 |
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O2 .617 .020 .2421 .0231 |
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O3 .865 .264 .1747 .0029 |
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O4 .155 .553 .9245 .0474 |
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O5 .886 .996 .9122 .0241 |
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O6 .611 .821 .1574 .0175 |
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O7 .646 .543 .9216 .0238 |
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O8 .388 .279 .1754 .0125 |
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OH1 .382 .552 .2555 .0344 |
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OH2 .620 .215 .9997 .0173 |
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OH3 .115 .682 .1713 .0087 |
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OH4 .619 .549 .0808 .0405 |
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Mattheddleite |
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Steele I M, Pluth J J, Livingstone A |
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Mineralogical Magazine 64 (2000) 915-921 |
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Crystal structure of mattheddleite: a Pb, S, Si phase with the apatite structure |
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Locality: Leadhills, Scotland |
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_database_code_amcsd 0014546 |
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10.0056 10.0056 7.4960 90 90 120 P6_3/m |
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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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Pb1 1/3 2/3 .0057 5/8 .0331 .0364 .0364 .0264 .0182 0 0 |
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Pb2 .2507 -.0004 .2136 5/8 .0402 .0296 .0415 .050 .0182 .0176 .0058 |
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Si .4058 .3814 .25 .5 .014 .013 .010 .020 .008 0 0 |
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S .4058 .3814 .25 .5 .014 .013 .010 .020 .008 0 0 |
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O1 .332 .487 .25 .028 .034 .033 .025 .023 0 0 |
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O2 .589 .480 .25 .039 .010 .040 .059 .007 0 0 |
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O3 .357 .275 .082 .038 .055 .032 .035 .029 -.007 -.003 |
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Cl 0 0 0 .57 .035 .032 .032 .042 .016 0 0 |
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OH 0 0 0 .43 .035 .032 .032 .042 .016 0 0 |
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|
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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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|
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|
| |
|
Auriacusite |
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Mills S J, Kampf A R, Poirier G, Raudsepp M, Steele I M |
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Mineralogy and Petrology 99 (2010) 113-120 |
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Auriacusite, Fe3+Cu2+AsO4O, the first M3+ member of the olivenite group, |
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from the Black Pine mine, Montana, USA |
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Locality: Black Pine mine, Montana, USA |
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_database_code_amcsd 0014650 |
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8.6235 8.2757 5.9501 90 90 90 Pnnm |
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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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FeM .1188 .1373 .5 .55 .0157 .0089 .0064 .0318 .0000 0 0 |
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CuM .1188 .1373 .5 .45 .0157 .0089 .0064 .0318 .0000 0 0 |
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Cu 0 .5 .2491 .0054 .0081 .0059 .0021 .0024 0 0 |
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As .2510 .2630 0 .0054 .0055 .0043 .0064 .0006 0 0 |
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O1A .401 .396 -.051 .25 .001 |
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O1B .387 .404 .078 .25 .001 |
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O2 .0827 .3667 0 .0056 |
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O3 .2670 .1480 .231 .026 |
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O4 -.0971 .6243 .5 .0035 |
|
|
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|
| |
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