Ullmannite
Bayliss P
American Mineralogist 62 (1977) 369-373
Crystal structure refinement of arsenian ullmannite
approximate cubic structure
_database_code_amcsd 0000576
5.886 5.886 5.886 90 90 90 P2_13
atom x y z occ Biso
Ni -.0171 -.0171 -.0171 .97 .65
Co -.0171 -.0171 -.0171 .03 .65
S .3817 .3817 .3817 .98 .80
As .3817 .3817 .3817 .02 .80
Sb .6256 .6256 .6256 .91 .62
As .6256 .6256 .6256 .08 .62
Bi .6256 .6256 .6256 .01 .62
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Ullmannite
Bayliss P
American Mineralogist 62 (1977) 369-373
Crystal structure refinement of arsenian ullmannite
_database_code_amcsd 0000577
5.886 5.886 5.886 90 90 90 P1
atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Ni1 -.0174 -.0162 -.0179 .97 .0060 .0039 .0050 .0004 .0007 .0007
Co1 -.0174 -.0162 -.0179 .03 .0060 .0039 .0050 .0004 .0007 .0007
Ni2 .5165 .0184 .4841 .97 .0050 .0038 .0055 -.0002 .0002 .0005
Co2 .5165 .0184 .4841 .03 .0050 .0038 .0055 -.0002 .0002 .0005
Ni3 .4811 .5170 .0164 .97 .0051 .0045 .0047 -.0002 .0002 .0009
Co3 .4811 .5170 .0164 .03 .0051 .0045 .0047 -.0002 .0002 .0009
Ni4 .0163 .4833 .5171 .97 .0054 .0036 .0047 -.0002 .0004 .0002
Co4 .0163 .4833 .5171 .03 .0054 .0036 .0047 -.0002 .0004 .0002
S1 .3818 .3829 .3815 .99 .0073 .0047 .0052 -.0013 .0003 .0008
As1 .3818 .3829 .3815 .01 .0073 .0047 .0052 -.0013 .0003 .0008
S2 .1200 .6200 .8816 .0069 .0040 .0050 -.0011 .0000 -.0004
S3 .8816 .1193 .6186 .95 .0076 .0063 .0065 .0011 .0004 .0012
As3 .8816 .1193 .6186 .05 .0076 .0063 .0065 .0011 .0004 .0012
S4 .6189 .8835 .1185 .0073 .0041 .0049 .0009 .0006 .0001
Sb1 .6249 .6266 .6259 .96 .0048 .0039 .0049 .0000 .0006 .0006
As1 .6249 .6266 .6259 .04 .0048 .0039 .0049 .0000 .0006 .0006
Sb2 .8736 .3744 .1255 .91 .0050 .0040 .0048 .0001 .0003 .0004
As2 .8736 .3744 .1255 .06 .0050 .0040 .0048 .0001 .0003 .0004
Bi2 .8736 .3744 .1255 .03 .0050 .0040 .0048 .0001 .0003 .0004
Sb3 .1256 .8748 .3743 .96 .0052 .0038 .0048 -.0001 .0003 .0006
As3 .1256 .8748 .3743 .03 .0052 .0038 .0048 -.0001 .0003 .0006
Bi3 .1256 .8748 .3743 .01 .0052 .0038 .0048 -.0001 .0003 .0006
Sb4 .3744 .1262 .8745 .80 .0046 .0032 .0042 -.0001 .0005 .0003
As4 .3744 .1262 .8745 .20 .0046 .0032 .0042 -.0001 .0005 .0003
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Ullmannite
Pratt J L, Bayliss P
American Mineralogist 65 (1980) 154-156
Crystal structure refinement of a cobaltian ullmannite
_database_code_amcsd 0000774
5.9218 5.9218 5.9218 90 90 90 P2_13
atom x y z occ Biso
Ni -.0178 -.0178 -.0178 .86 0.56
Co -.0178 -.0178 -.0178 .14 0.56
S .3816 .3816 .3816 0.83
Sb .6264 .6264 .6264 0.55
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Ullmannite
Foecker A J, Jeitschko W
Journal of Solid State Chemistry 162 (2001) 69-78
The atomic order of the pnictogen and chalcogen atoms in equiatomic ternary
compounds TPnCh (T = Ni, Pd; Pn = P, As, Sb; Ch = S, Se, Te)
Locality: synthetic
_database_code_amcsd 0014009
5.9341 5.9341 5.9341 90 90 90 P2_13
atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ni .98123 .98123 .98123 .00655 .00655 .00655 .00655 .00002 .00002 .00002
Sb .62674 .62674 .62674 .00652 .00652 .00652 .00652 .00035 .00035 .00035
S .38118 .38118 .38118 .0070 .0070 .0070 .0070 -.0001 -.0001 -.0001
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Ullmannite
Peacock M, Berry L
University of Toronto Studies, Geological Series 44 (1940) 47-69
Roentgenographic observations on ore minerals
_cod_database_code 1011234
_database_code_amcsd 0018100
5.724 5.724 5.724 90 90 90 P2_13
atom x y z occ
Ni1 0 0 0
As1 .63 .63 .63 .1
Sb1 .63 .63 .63 .9
S1 .4 .4 .4
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