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Surinamite |
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Moore P B, Araki T |
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American Mineralogist 68 (1983) 804-810 |
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Surinamite, ca. Mg3Al4Si3BeO16: its crystal structure and relation to |
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sapphirine, ca. Mg2.8Al7.2Si1.2O16 |
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_database_code_amcsd 0000907 |
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9.916 11.384 9.631 90 109.3 90 P2/n |
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atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Mg1 .47718 .65733 .25876 .589 0.0072 0.0093 0.0072 -.0011 0.0035 0.0002 |
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Fe1 .47718 .65733 .25876 .411 0.0072 0.0093 0.0072 -.0011 0.0035 0.0002 |
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Al2 .50124 .37756 .26827 .853 0.0060 0.0066 0.0075 -.0003 0.0035 -.0003 |
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Fe2 .50124 .37756 .26827 .147 0.0060 0.0066 0.0075 -.0003 0.0035 -.0003 |
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Al3 .50226 .11446 .25443 .946 0.0054 0.0055 0.0059 -.0001 0.0027 -.0004 |
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Fe3 .50226 .11446 .25443 .054 0.0054 0.0055 0.0059 -.0001 0.0027 -.0004 |
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Al4 .25 .25314 .25 0.0085 0.0108 0.1080 0 0.0050 0 |
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Mg5 .25 .96665 .25 .957 0.0037 0.0063 0.0065 0 0.0027 0 |
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Fe5 .25 .96665 .25 .043 0.0037 0.0063 0.0065 0 0.0027 0 |
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Al6 .75 .51164 .25 0.0064 0.0087 0.0071 0 0.0020 0 |
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Mg7 .75 .25546 .25 .799 0.0046 0.0055 0.0096 0 0.0045 0 |
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Fe7 .75 .25546 .25 .201 0.0046 0.0055 0.0096 0 0.0045 0 |
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Mg8 .75 .97460 .25 .950 0.0038 0.0058 0.0063 0 0.0027 0 |
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Fe8 .75 .97460 .25 .050 0.0038 0.0058 0.0063 0 0.0027 0 |
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Al9 0 .5 .5 0.0048 0.0078 0.0059 -.0002 0.0017 0.0001 |
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Be1 .32307 .75235 .45592 .945 0.0062 0.0063 0.0062 -.0005 0.0022 0.0004 |
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Si1 .32307 .75235 .45592 .055 0.0062 0.0063 0.0062 -.0005 0.0022 0.0004 |
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Si2 .07671 .88380 .44821 0.0073 0.0084 0.0071 0.0000 0.0032 0.0001 |
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Si3 .30678 .50165 .43709 0.0074 0.0096 0.0070 -.0002 0.0029 0.0002 |
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Si4 .56917 .88011 .44754 0.0074 0.0078 0.0066 0.0003 0.0029 -.0001 |
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Al5 .82994 .74462 .45244 .941 0.0051 0.0047 0.0043 0.0003 0.0022 -.0003 |
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O1 .11631 .99878 .37095 0.0072 0.0088 0.0088 -.0001 0.0038 0.0007 |
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O2 .61382 .99424 .37191 0.0079 0.0087 0.0089 0.0005 0.0037 0.0010 |
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O3 .87706 .11366 .37042 0.0073 0.0092 0.0075 -.0002 0.0032 0.0003 |
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O4 .37628 .11562 .37104 0.0073 0.0087 0.0074 -.0002 0.0026 0.0003 |
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O5 .90335 .86355 .38761 0.0070 0.0089 0.0085 -.0003 0.0023 0.0012 |
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O6 .39954 .85556 .38810 0.0071 0.0108 0.0076 -.0011 0.0022 0.0014 |
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O7 .61041 .24671 .36210 0.0073 0.0100 0.0083 -.0007 0.0035 0.0014 |
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O8 .64425 .76573 .39752 0.0080 0.0088 0.0105 0.0002 0.0037 -.0008 |
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O9 .10811 .25065 .35473 0.0072 0.0110 0.0071 -.0001 0.0025 0.0000 |
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O10 .14913 .76935 .40286 0.0087 0.0095 0.0101 0.0002 0.0041 -.0015 |
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O11 .35898 .62573 .39176 0.0091 0.0104 0.0094 -.0010 0.0035 0.0005 |
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O12 .37027 .39285 .36854 0.0084 0.0129 0.0079 -.0001 0.0017 -.0008 |
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O13 .88120 .61981 .37314 0.0072 0.0096 0.0075 0.0000 0.0026 -.0001 |
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O14 .88412 .40015 .35382 0.0077 0.0098 0.0071 -.0008 0.0029 -.0004 |
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O15 .63209 .50572 .37948 0.0085 0.0109 0.0096 0.0011 0.0037 -.0005 |
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O16 .12767 .49848 .38191 0.0090 0.0111 0.0091 -.0004 0.0036 -.0004 |
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| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
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Surinamite |
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Barbier J, Grew E S, Halenius E, Halenius U, Yates M G |
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American Mineralogist 87 (2002) 501-513 |
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The role of iron and cation order in the crystal chemistry of surinamite, |
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(Mg,Fe)3(Al,Fe)3O[AlBeSi3O15]: A crystal structure, Mossbauer spectroscopic, |
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and optical spectroscopic study |
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_database_code_amcsd 0002765 |
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9.915 11.368 9.617 90 109.30 90 P2/n |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Mg1 .47690 .65771 .25890 .57 .00647 .00902 .00517 -.00087 .00189 .00020 |
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Fe1 .47690 .65771 .25890 .43 .00647 .00902 .00517 -.00087 .00189 .00020 |
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Fe2 .50136 .37756 .26862 .23 .00525 .00683 .00629 -.00034 .00209 -.00018 |
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Al2 .50136 .37756 .26862 .77 .00525 .00683 .00629 -.00034 .00209 -.00018 |
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Fe3 .50233 .11433 .25462 .12 .0055 .0071 .00549 .00005 .00173 .00019 |
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Al3 .50233 .11433 .25462 .88 .0055 .0071 .00549 .00005 .00173 .00019 |
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Mg4 .25 .25304 .25 .91 .0054 .0078 .0065 0 .0027 0 |
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Fe4 .25 .25304 .25 .09 .0054 .0078 .0065 0 .0027 0 |
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Mg5 .25 .96605 .25 .89 .0050 .0086 .0057 0 .0016 0 |
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Fe5 .25 .96605 .25 .11 .0050 .0086 .0057 0 .0016 0 |
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Fe6 .75 .51185 .25 .03 .0051 .0072 .0051 0 .0006 0 |
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Al6 .75 .51185 .25 .97 .0051 .0072 .0051 0 .0006 0 |
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Mg7 .75 .25557 .25 .72 .0053 .0067 .0081 0 .0031 0 |
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Fe7 .75 .25557 .25 .28 .0053 .0067 .0081 0 .0031 0 |
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Mg8 .75 .97415 .25 .88 .0050 .0079 .0059 0 .0016 0 |
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Fe8 .75 .97415 .25 .12 .0050 .0079 .0059 0 .0016 0 |
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Fe9 0 .5 .5 .06 .0057 .0074 .0042 .0001 .0007 -.0004 |
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Al9 0 .5 .5 .94 .0057 .0074 .0042 .0001 .0007 -.0004 |
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Be1 .3237 .75235 .45699 .97 .0034 .0064 .0044 .0002 .0005 .0007 |
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Si1 .3237 .75235 .45699 .03 .0034 .0064 .0044 .0002 .0005 .0007 |
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Si2 .07701 .88375 .44837 .00431 .00617 .00316 -.00002 .00093 .00009 |
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Al3 .30667 .50194 .43710 .03 .00460 .00664 .00332 -.00015 .00092 -.00018 |
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Si3 .30667 .50194 .43710 .97 .00460 .00664 .00332 -.00015 .00092 -.00018 |
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Si4 .56921 .87998 .44768 .00435 .00618 .00304 .00024 .00087 .00007 |
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Be5 .83025 .74469 .45266 .03 .0045 .0053 .00331 .00020 .00105 -.00005 |
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Al5 .83025 .74469 .45266 .97 .0045 .0053 .00331 .00020 .00105 -.00005 |
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O1 .11660 .99888 .37094 .0058 .0078 .0058 -.0001 .0023 .0008 |
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O2 .61422 .99433 .37211 .0061 .0071 .0060 .0000 .0024 -.0012 |
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O3 .87653 .11306 .37006 .0056 .0082 .0038 -.0002 .0010 -.0004 |
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O4 .37590 .11535 .37102 .0057 .0083 .0039 .0002 .0012 .0000 |
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O5 .90338 .86363 .38764 .0055 .0074 .0059 .0001 .0013 .0013 |
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O6 .39921 .85516 .38787 .0047 .0089 .0058 .0006 .0006 -.0011 |
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O7 .61033 .24682 .36261 .0056 .0096 .0045 .0007 .0013 .0000 |
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O8 .64468 .76550 .39776 .0059 .0081 .0071 .0003 .0029 .0000 |
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O9 .10797 .25107 .35475 .0062 |
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O10 .14979 .76909 .40325 .0070 |
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O11 .35862 .62618 .39168 .0070 |
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O12 .37004 .39300 .36835 .0067 .0085 .0062 -.0002 .0011 .0008 |
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O13 .88128 .61979 .37268 .0058 .0067 .0055 .0003 .0010 -.0005 |
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O14 .88404 .40002 .35400 .0060 .0069 .0049 .0002 .0013 .0003 |
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O15 .63220 .50604 .37974 .0069 .0106 .0040 .0003 .0018 .0002 |
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O16 .12766 .49863 .38238 .0056 .0092 .0056 -.0006 .0020 -.0005 |
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| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
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Surinamite |
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Barbier J |
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European Journal of Mineralogy 10 (1998) 1283-1293 |
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Crystal structures of sapphirine and surinamite analogues |
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in the MgO-Ga2O3-GeO2 system |
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_database_code_amcsd 0006762 |
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10.320 23.733 10.073 90 110.29 90 C2/c |
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atom x y z occ Uiso |
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MgM1 .24188 .67830 .25739 .0076 |
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MgM2 .74714 .30994 .25797 .23 .0058 |
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GaM2 .74714 .30994 .25797 .77 .0058 |
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MgM3 .74956 .44184 .24757 .707 .0061 |
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GaM3 .74956 .44184 .24757 .293 .0061 |
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MgM4 .5 .37343 .25 .724 .0059 |
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GaM4 .5 .37343 .25 .276 .0059 |
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MgM5 0 .00872 .25 .982 .0061 |
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GaM5 0 .00872 .25 .018 .0061 |
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MgM6 0 .24589 .25 .102 .0061 |
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GaM6 0 .24589 .25 .898 .0061 |
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MgM7 0 .37130 .25 .946 .0061 |
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GaM7 0 .37130 .25 .054 .0061 |
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MgM8 0 .50743 .25 .0067 |
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MgM9 .25 .75 0 .45 .0061 |
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GaM9 .25 .75 0 .55 .0061 |
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GaT1 .07166 .62521 .45180 .69 .0059 |
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GeT1 .07166 .62521 .45180 .31 .0059 |
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GeT2 .82157 .55758 .44458 .0053 |
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GaT3 .05810 .75353 .43447 .27 .0060 |
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GeT3 .05810 .75353 .43447 .73 .0060 |
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GeT4 .32558 .55844 .44628 .0052 |
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GaT5 .57409 .62866 .44796 .0056 |
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O1 .8737 .5011 .3680 .0082 |
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O2 .3752 .5018 .3683 .0078 |
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O3 .8796 .5604 .6307 .0076 |
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O4 .3801 .5602 .6331 .0077 |
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O5 .1400 .0657 .3846 .0078 |
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O6 .1423 .5659 .3838 .0087 |
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O7 .8660 .3734 .3579 .0077 |
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O8 .3843 .6211 .3875 .0076 |
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O9 .6326 .3725 .1412 .0080 |
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O10 -.1167 .6201 .3869 .0086 |
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O11 .1191 .6894 .3809 .0087 |
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O12 .3768 .3108 .1351 .0088 |
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O13 .8706 .1900 .1305 .0082 |
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O14 .8694 .3022 .1462 .0086 |
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O15 .8761 .2454 .3736 .0094 |
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O16 .6287 .2490 .1261 .0087 |
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| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
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