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Buttgenbachite |
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Fanfani L, Nunzi A, Zanazzi P F, Zanzari A R |
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Mineralogical Magazine 39 (1973) 264-270 |
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The crystal structure of buttgenbachite |
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Locality: Likasi, Congo |
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_database_code_amcsd 0014460 |
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15.750 15.750 9.161 90 90 120 P6_3/mmc |
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atom x y z occ Biso |
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Cu1 .5 0 0 .72 |
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Cu2 .2012 0 0 .87 |
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Cu3 .3352 .1676 .75 .82 |
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Cu4 .3589 .0166 .25 .97 |
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Cu5 0 0 0 .30 2.36 |
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Cl1 .2764 .1382 .25 1.14 |
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Cl2 2/3 1/3 .25 .35 3.69 |
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N 2/3 1/3 .0557 .65 4.66 |
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OH1 .4507 .3697 .0880 .88 |
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OH2 .0743 -.0743 .0961 1.21 |
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OH3 .6744 .7441 .1094 1.15 |
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OH4 .4454 .5546 .25 1.88 |
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Oa .7123 .2877 .0748 .47 2.73 |
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Ob .6227 .3773 .0335 .18 3.55 |
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| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
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Buttgenbachite |
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Hibbs D E, Leverett P, Williams P A |
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Mineralogical Magazine 67 (2003) 47-60 |
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A single crystal X-ray study of a sulphate-bearing buttgenbachite, |
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Cu36Cl7.8(NO3)1.3(SO4)0.35(OH)62.2*5.2H2O, and a re-examination |
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of the crystal chemistry of the buttgenbachite-connellite series |
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Locality: Likasi, Democratic Republic of Congo |
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Note: T = 100 K |
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_database_code_amcsd 0018302 |
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15.739 15.739 9.127 90 90 120 P6_3/mmc |
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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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Cu1 .5 0 0 .010 .008 .011 .012 .005 -.001 -.002 |
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Cu2 .2013 0 0 .011 .011 .009 .011 .004 .001 .002 |
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Cu3 .3360 .1680 .75 .008 .011 .007 .008 .006 0 0 |
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Cu4 .3590 .0175 .25 .009 .007 .009 .008 .002 0 0 |
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Cl3 0 0 0 .6 .016 .014 .014 .020 .007 0 0 |
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Cl1 .2772 .1386 .25 .014 .015 .011 .016 .008 0 0 |
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OH1 .4505 .3699 .0899 .011 .010 .010 .011 .005 .001 .001 |
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OH2 .0750 -.0750 .0985 .021 .014 .014 .023 -.001 .005 -.005 |
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OH3 .6743 .7443 .1094 .010 .012 .010 .010 .006 .001 .001 |
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OH4 .4444 .5556 .25 .029 .046 .046 .015 .040 0 0 |
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Wat1 .5070 .2536 .75 .18 .026 |
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N1 2/3 1/3 .25 .18 .022 |
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Cl4 2/3 1/3 .25 .30 .022 |
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O1a .6222 .3778 .25 .18 .017 |
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O1b .6153 .3847 .25 .18 .017 |
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S1 2/3 1/3 .3040 .09 .020 |
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O1c 2/3 1/3 .0320 .09 .020 |
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N2 2/3 1/3 .0860 .24 .022 |
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Wat2 2/3 1/3 .0860 .06 .022 |
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O2 .7113 .2887 .0860 .24 .022 |
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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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Buttgenbachite |
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Hibbs D E, Leverett P, Williams P A |
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Mineralogical Magazine 67 (2003) 47-60 |
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A single crystal X-ray study of a sulphate-bearing buttgenbachite, |
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Cu36Cl7.8(NO3)1.3(SO4)0.35(OH)62.2.5.2H2O, and a re-examination |
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of the crystal chemistry of the buttgenbachite-connellite series |
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Locality: Likasi, Democratic Republic of Congo |
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Note: T = 288 K |
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_database_code_amcsd 0018303 |
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15.739 15.739 9.127 90 90 120 P6_3/mmc |
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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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Cu1 .5 0 0 .013 .009 .013 .017 .007 -.001 -.003 |
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Cu2 .2014 0 0 .013 .012 .012 .016 .006 .001 .003 |
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Cu3 .3355 .1677 .75 .011 .014 .009 .011 .007 0 0 |
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Cu4 .3592 .0172 .25 .012 .009 .012 .012 .002 0 0 |
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Cl3 0 0 0 .60 .020 .024 .024 .014 .012 0 0 |
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Cl1 .2773 .1387 .25 .021 .021 .014 .030 .010 0 0 |
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OH1 .4503 .3703 .0918 .013 .008 .014 .015 .004 .003 .004 |
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OH2 .0749 -.0749 .0993 .024 .021 .021 .024 .004 .004 -.004 |
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OH3 .6744 .7452 .1101 .011 .014 .011 .011 .009 .002 .003 |
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OH4 .4437 .5563 .25 .25 .037 .058 .058 .017 .045 0 0 |
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Wat1 .5080 .2540 .75 .18 .030 |
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N1 2/3 1/3 .25 .18 .028 |
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Cl4 2/3 1/3 .25 .30 .028 |
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O1a .6226 .3774 .25 .18 .032 |
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O1b .6155 .3845 .25 .18 .032 |
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S1 2/3 1/3 .3045 .09 .022 |
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O1c 2/3 1/3 .0320 .09 .022 |
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N2 2/3 1/3 .100 .24 .028 |
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Wat2 2/3 1/3 .100 .06 .028 |
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O2 .7115 .2885 .100 .24 .029 |
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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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Buttgenbachite |
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Hibbs D E, Leverett P, Williams P A |
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Neues Jahrbuch fur Mineralogie, Monatshefte 2002 (2002) 225-240 |
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Buttgenbachite from Bisbee, Arizona, USA: A single-crystal X-ray study |
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Locality: Bisbee, Arizona, USA |
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_database_code_amcsd 0014920 |
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15.739 15.739 9.127 90 90 120 P6_3/mmc |
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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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Cu1 .5 0 0 .011 .010 .014 .012 .007 -.001 -.002 |
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Cu2 .2014 0 0 .011 .012 .010 .011 .005 .001 .002 |
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Cu3 .3357 .16785 .75 .010 .013 .009 .009 .007 0 0 |
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Cu4 .3586 .0165 .25 .010 .008 .011 .008 .002 0 0 |
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Cl1 .2768 .1384 .25 .014 .016 .011 .016 .008 0 0 |
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Cl3 0 0 0 .5 .015 .013 .013 .019 .006 0 0 |
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OH1 .4501 .3699 .0912 .012 .015 .011 .009 .006 .003 .001 |
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OH2 .0753 -.0753 .0991 .021 .014 .014 .023 -.002 .005 -.005 |
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OH3 .6737 .7441 .1097 .012 .014 .012 .011 .008 .001 .001 |
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OH4 .4423 .5577 .25 .009 .021 .021 .000 .021 0 0 |
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N1 2/3 1/3 .25 .5 .013 |
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Cl2 2/3 1/3 .25 .5 .013 |
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O1 .6216 .3784 .25 .011 |
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Wat .5100 .2552 .8070 .1 .011 |
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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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