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Carminite |
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Kharisun, Taylor M R, Bevan D J M, Pring A |
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Mineralogical Magazine 60 (1996) 805-811 |
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The crystal structure of carminite: |
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refinement and bond valence calculations |
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Locality: Broken Hill, NSW, Australia |
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_database_code_amcsd 0014520 |
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16.591 7.580 12.285 90 90 90 Cccm |
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atom x y z Uiso |
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Pb1 0 0 .25 .0145 |
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Pb2 .25 .75 0 .0115 |
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Fe .37751 .1300 .13516 .0088 |
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As1 .04286 .7384 0 .0070 |
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As2 .21189 0 .25 .0054 |
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O1 .0172 .2469 .1114 .009 |
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O2 .0923 .5401 0 .011 |
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O3 .1121 -.1041 0 .013 |
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O4 .1512 .1758 .2415 .013 |
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O5 .2723 -.0034 .1390 .0087 |
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OH6 .1690 .2387 0 .006 |
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OH7 .4222 0 .25 .011 |
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View JMOL 3-D Structure (permalink) |
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Kintoreite |
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Kharisun, Taylor M R, Bevan D J M, Pring A |
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Mineralogical Magazine 61 (1997) 123-129 |
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The crystal structure of kintoreite, PbFe3(PO4)2(OH,H2O)6 |
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Note: occupancy of P and As are switched from the reported values |
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Locality: Kintore opencut, Broken Hill, New South Wales, Australia |
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_database_code_amcsd 0014525 |
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7.3310 7.3310 16.885 90 90 120 R-3m |
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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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Pb -.0180 .0380 .0005 .0833 .03 .06 .03 .0138 .030 .00 -.00 |
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Fe .5 0 .5 .0118 .0120 .0076 .0144 .0038 .0001 .0002 |
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P 0 0 .3146 .73 .008 .0090 .0090 .007 .0045 .0 .0 |
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As 0 0 .3146 .16 .008 .0090 .0090 .007 .0045 .0 .0 |
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S 0 0 .3146 .11 .008 .0090 .0090 .007 .0045 .0 .0 |
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O1 0 0 .5946 .019 .020 .020 .018 .01 .0 .0 |
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O2 .2181 -.2181 -.0528 .019 .026 .026 .014 .019 .000 .000 |
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OH3 .1283 -.1283 .1331 .010 .006 .006 .013 -.000 .001 -.001 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
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Mawbyite |
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Kharisun, Taylor M R, Bevan D J M, Rae A D, Pring A |
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Mineralogical Magazine 61 (1997) 685-691 |
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The crystal structure of mawbyite, PbFe2(AsO4)2(OH)2 |
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Locality: Broken Hill, New South Wales, Australia, type specimen |
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_database_code_amcsd 0014531 |
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9.066 6.286 7.564 90 114.857 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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Pb 0 0 0 .025 .024 .022 .028 0 -.003 0 |
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Fe .25 .25 .5 .013 .012 .008 .017 .001 -.002 -.013 |
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As .9176 .5 .2131 .016 .011 .016 .021 0 .001 0 |
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O1 .3421 .5 .4101 .014 .003 .023 .015 0 -.004 0 |
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O2 .3103 0 .3553 .018 .005 .021 .028 0 .000 0 |
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O3 .0370 .2826 .2701 .018 .016 .014 .024 .004 -.001 -.008 |
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O4 .2197 .5 .0127 .028 .024 .037 .023 0 -.004 0 |
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H .2973 .5 .2646 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
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Duftite |
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Kharisun, Taylor M R, Bevan D J M, Pring A |
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Mineralogical Magazine 62 (1998) 121-130 |
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The crystal chemistry of duftite, PbCuAsO4(OH) and the beta-duftite problem |
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Note: sample is synthetic |
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_database_code_amcsd 0014532 |
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7.768 9.211 5.999 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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Pb .3764 .1668 .4793 .0102 .0091 .0142 .0018 -.0002 .0002 |
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Cu .2556 .4963 .7537 .014 .0071 .002 -.0006 -.001 -.0032 |
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As .3686 -.1934 .5076 .0078 .0047 .007 -.0004 .0020 -.0003 |
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O2 .142 .285 .765 .017 |
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O3 .126 .305 .241 .012 |
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O4 .541 -.085 .494 .012 |
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O5 .197 -.085 .538 .020 |
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OH1 .385 .438 .497 .008 |
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| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
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