Omphacite McCormick T C American Mineralogist 71 (1986) 1434-1440 Crystal-chemical aspects of nonstoichiometric pyroxenes Sample: Full-occupancy model _database_code_amcsd 0001054 9.501 8.654 5.238 90 107.23 90 C2/c atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) Fe1 0 .9054 .25 .069 .0012 .0016 .0039 0 .0005 0 Al1 0 .9054 .25 .931 .0012 .0016 .0039 0 .0005 0 Ca2 0 .3009 .25 .229 .0031 .0020 .0056 0 -.0003 0 Na2 0 .3009 .25 .770 .0031 .0020 .0056 0 -.0003 0 Si .2895 .093 .2283 .0009 .0014 .0030 -.0001 .0007 -.0002 O1 .1104 .0779 .1309 .0011 .0029 .0078 .0002 .0009 -.0005 O2 .3608 .2601 .3005 .0028 .0018 .0080 -.0004 .0012 -.0006 O3 .3529 .0108 .0034 .0015 .0028 .0048 .0001 .0010 -.0011