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Ullmannite |
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Bayliss P |
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American Mineralogist 62 (1977) 369-373 |
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Crystal structure refinement of arsenian ullmannite |
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approximate cubic structure |
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_database_code_amcsd 0000576 |
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5.886 5.886 5.886 90 90 90 P2_13 |
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atom x y z occ Biso |
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Ni -.0171 -.0171 -.0171 .97 .65 |
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Co -.0171 -.0171 -.0171 .03 .65 |
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S .3817 .3817 .3817 .98 .80 |
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As .3817 .3817 .3817 .02 .80 |
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Sb .6256 .6256 .6256 .91 .62 |
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As .6256 .6256 .6256 .08 .62 |
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Bi .6256 .6256 .6256 .01 .62 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
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Ullmannite |
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Bayliss P |
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American Mineralogist 62 (1977) 369-373 |
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Crystal structure refinement of arsenian ullmannite |
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_database_code_amcsd 0000577 |
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5.886 5.886 5.886 90 90 90 P1 |
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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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Ni1 -.0174 -.0162 -.0179 .97 .0060 .0039 .0050 .0004 .0007 .0007 |
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Co1 -.0174 -.0162 -.0179 .03 .0060 .0039 .0050 .0004 .0007 .0007 |
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Ni2 .5165 .0184 .4841 .97 .0050 .0038 .0055 -.0002 .0002 .0005 |
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Co2 .5165 .0184 .4841 .03 .0050 .0038 .0055 -.0002 .0002 .0005 |
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Ni3 .4811 .5170 .0164 .97 .0051 .0045 .0047 -.0002 .0002 .0009 |
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Co3 .4811 .5170 .0164 .03 .0051 .0045 .0047 -.0002 .0002 .0009 |
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Ni4 .0163 .4833 .5171 .97 .0054 .0036 .0047 -.0002 .0004 .0002 |
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Co4 .0163 .4833 .5171 .03 .0054 .0036 .0047 -.0002 .0004 .0002 |
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S1 .3818 .3829 .3815 .99 .0073 .0047 .0052 -.0013 .0003 .0008 |
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As1 .3818 .3829 .3815 .01 .0073 .0047 .0052 -.0013 .0003 .0008 |
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S2 .1200 .6200 .8816 .0069 .0040 .0050 -.0011 .0000 -.0004 |
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S3 .8816 .1193 .6186 .95 .0076 .0063 .0065 .0011 .0004 .0012 |
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As3 .8816 .1193 .6186 .05 .0076 .0063 .0065 .0011 .0004 .0012 |
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S4 .6189 .8835 .1185 .0073 .0041 .0049 .0009 .0006 .0001 |
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Sb1 .6249 .6266 .6259 .96 .0048 .0039 .0049 .0000 .0006 .0006 |
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As1 .6249 .6266 .6259 .04 .0048 .0039 .0049 .0000 .0006 .0006 |
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Sb2 .8736 .3744 .1255 .91 .0050 .0040 .0048 .0001 .0003 .0004 |
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As2 .8736 .3744 .1255 .06 .0050 .0040 .0048 .0001 .0003 .0004 |
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Bi2 .8736 .3744 .1255 .03 .0050 .0040 .0048 .0001 .0003 .0004 |
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Sb3 .1256 .8748 .3743 .96 .0052 .0038 .0048 -.0001 .0003 .0006 |
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As3 .1256 .8748 .3743 .03 .0052 .0038 .0048 -.0001 .0003 .0006 |
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Bi3 .1256 .8748 .3743 .01 .0052 .0038 .0048 -.0001 .0003 .0006 |
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Sb4 .3744 .1262 .8745 .80 .0046 .0032 .0042 -.0001 .0005 .0003 |
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As4 .3744 .1262 .8745 .20 .0046 .0032 .0042 -.0001 .0005 .0003 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
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Ullmannite |
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Pratt J L, Bayliss P |
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American Mineralogist 65 (1980) 154-156 |
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Crystal structure refinement of a cobaltian ullmannite |
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_database_code_amcsd 0000774 |
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5.9218 5.9218 5.9218 90 90 90 P2_13 |
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atom x y z occ Biso |
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Ni -.0178 -.0178 -.0178 .86 0.56 |
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Co -.0178 -.0178 -.0178 .14 0.56 |
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S .3816 .3816 .3816 0.83 |
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Sb .6264 .6264 .6264 0.55 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
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Ullmannite |
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Foecker A J, Jeitschko W |
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Journal of Solid State Chemistry 162 (2001) 69-78 |
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The atomic order of the pnictogen and chalcogen atoms in equiatomic ternary |
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compounds TPnCh (T = Ni, Pd; Pn = P, As, Sb; Ch = S, Se, Te) |
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Locality: synthetic |
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_database_code_amcsd 0014009 |
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5.9341 5.9341 5.9341 90 90 90 P2_13 |
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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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Ni .98123 .98123 .98123 .00655 .00655 .00655 .00655 .00002 .00002 .00002 |
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Sb .62674 .62674 .62674 .00652 .00652 .00652 .00652 .00035 .00035 .00035 |
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S .38118 .38118 .38118 .0070 .0070 .0070 .0070 -.0001 -.0001 -.0001 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
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Ullmannite |
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Peacock M, Berry L |
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University of Toronto Studies, Geological Series 44 (1940) 47-69 |
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Roentgenographic observations on ore minerals |
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_cod_database_code 1011234 |
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_database_code_amcsd 0018100 |
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5.724 5.724 5.724 90 90 90 P2_13 |
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atom x y z occ |
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Ni1 0 0 0 |
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As1 .63 .63 .63 .1 |
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Sb1 .63 .63 .63 .9 |
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S1 .4 .4 .4 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
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