Surinamite Barbier J, Grew E S, Halenius E, Halenius U, Yates M G American Mineralogist 87 (2002) 501-513 The role of iron and cation order in the crystal chemistry of surinamite, (Mg,Fe)3(Al,Fe)3O[AlBeSi3O15]: A crystal structure, Mossbauer spectroscopic, and optical spectroscopic study _database_code_amcsd 0002765 9.915 11.368 9.617 90 109.30 90 P2/n atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) Mg1 .47690 .65771 .25890 .57 .00647 .00902 .00517 -.00087 .00189 .00020 Fe1 .47690 .65771 .25890 .43 .00647 .00902 .00517 -.00087 .00189 .00020 Fe2 .50136 .37756 .26862 .23 .00525 .00683 .00629 -.00034 .00209 -.00018 Al2 .50136 .37756 .26862 .77 .00525 .00683 .00629 -.00034 .00209 -.00018 Fe3 .50233 .11433 .25462 .12 .0055 .0071 .00549 .00005 .00173 .00019 Al3 .50233 .11433 .25462 .88 .0055 .0071 .00549 .00005 .00173 .00019 Mg4 .25 .25304 .25 .91 .0054 .0078 .0065 0 .0027 0 Fe4 .25 .25304 .25 .09 .0054 .0078 .0065 0 .0027 0 Mg5 .25 .96605 .25 .89 .0050 .0086 .0057 0 .0016 0 Fe5 .25 .96605 .25 .11 .0050 .0086 .0057 0 .0016 0 Fe6 .75 .51185 .25 .03 .0051 .0072 .0051 0 .0006 0 Al6 .75 .51185 .25 .97 .0051 .0072 .0051 0 .0006 0 Mg7 .75 .25557 .25 .72 .0053 .0067 .0081 0 .0031 0 Fe7 .75 .25557 .25 .28 .0053 .0067 .0081 0 .0031 0 Mg8 .75 .97415 .25 .88 .0050 .0079 .0059 0 .0016 0 Fe8 .75 .97415 .25 .12 .0050 .0079 .0059 0 .0016 0 Fe9 0 .5 .5 .06 .0057 .0074 .0042 .0001 .0007 -.0004 Al9 0 .5 .5 .94 .0057 .0074 .0042 .0001 .0007 -.0004 Be1 .3237 .75235 .45699 .97 .0034 .0064 .0044 .0002 .0005 .0007 Si1 .3237 .75235 .45699 .03 .0034 .0064 .0044 .0002 .0005 .0007 Si2 .07701 .88375 .44837 .00431 .00617 .00316 -.00002 .00093 .00009 Al3 .30667 .50194 .43710 .03 .00460 .00664 .00332 -.00015 .00092 -.00018 Si3 .30667 .50194 .43710 .97 .00460 .00664 .00332 -.00015 .00092 -.00018 Si4 .56921 .87998 .44768 .00435 .00618 .00304 .00024 .00087 .00007 Be5 .83025 .74469 .45266 .03 .0045 .0053 .00331 .00020 .00105 -.00005 Al5 .83025 .74469 .45266 .97 .0045 .0053 .00331 .00020 .00105 -.00005 O1 .11660 .99888 .37094 .0058 .0078 .0058 -.0001 .0023 .0008 O2 .61422 .99433 .37211 .0061 .0071 .0060 .0000 .0024 -.0012 O3 .87653 .11306 .37006 .0056 .0082 .0038 -.0002 .0010 -.0004 O4 .37590 .11535 .37102 .0057 .0083 .0039 .0002 .0012 .0000 O5 .90338 .86363 .38764 .0055 .0074 .0059 .0001 .0013 .0013 O6 .39921 .85516 .38787 .0047 .0089 .0058 .0006 .0006 -.0011 O7 .61033 .24682 .36261 .0056 .0096 .0045 .0007 .0013 .0000 O8 .64468 .76550 .39776 .0059 .0081 .0071 .0003 .0029 .0000 O9 .10797 .25107 .35475 .0062 O10 .14979 .76909 .40325 .0070 O11 .35862 .62618 .39168 .0070 O12 .37004 .39300 .36835 .0067 .0085 .0062 -.0002 .0011 .0008 O13 .88128 .61979 .37268 .0058 .0067 .0055 .0003 .0010 -.0005 O14 .88404 .40002 .35400 .0060 .0069 .0049 .0002 .0013 .0003 O15 .63220 .50604 .37974 .0069 .0106 .0040 .0003 .0018 .0002 O16 .12766 .49863 .38238 .0056 .0092 .0056 -.0006 .0020 -.0005