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