Grunerite Finger L W Mineralogical Society of America Special Paper 2 (1969) 95-100 The crystal structure and cation distribution of a grunerite Locality: Wabush iron formation, Labrador, Canada _database_code_amcsd 0000002 9.5642 18.393 5.3388 90 101.892 90 C2/m atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) Fe1 0 .08781 .5 .848 .51 .0012 .00055 .0036 0 .0008 0 Mg1 0 .08781 .5 .152 .51 .0012 .00055 .0036 0 .0008 0 Fe2 0 .17936 0 .773 .51 .0012 .00048 .0045 0 .0008 0 Mg2 0 .17936 0 .227 .51 .0012 .00048 .0045 0 .0008 0 Fe3 0 0 0 .888 .56 .0014 .00050 .0045 0 .0003 0 Mg3 0 0 0 .112 .56 .0014 .00050 .0045 0 .0003 0 Fe4 0 .25741 .5 .985 .92 .0019 .00096 .0080 0 .0017 0 Mg4 0 .25741 .5 .015 .92 .0019 .00096 .0080 0 .0017 0 Si1 .2867 .0836 .2707 .44 .0009 .00041 .0040 -.00003 .0002 .0000 Si2 .2993 .1667 .7780 .49 .0010 .00038 .0054 -.00019 .0003 .0000 O1 .1120 .0882 .2044 .67 .0013 .0006 .0065 0 .0007 .0003 O2 .1253 .1735 .7142 .59 .0009 .0006 .0068 -.0001 .0011 -.0003 OH3 .1147 0 .7035 .75 1.09 .0042 .0007 .0092 0 .0023 0 F3 .1147 0 .7035 .25 1.09 .0042 .0007 .0092 0 .0023 0 O4 .3839 .2416 .7689 .58 .0020 .0004 .0041 -.0001 -.0002 .0002 O5 .3483 .1275 .0519 .77 .0008 .0008 .0090 -.0003 .0009 .0015 O6 .3478 .1182 .5530 .86 .0009 .0012 .0055 .0004 -.0001 -.0009 O7 .3376 0 .2700 .74 .0019 .0000 .0146 0 .0021 0